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Sample records for mechanics modeling based

  1. Mechanics model for actin-based motility.

    PubMed

    Lin, Yuan

    2009-02-01

    We present here a mechanics model for the force generation by actin polymerization. The possible adhesions between the actin filaments and the load surface, as well as the nucleation and capping of filament tips, are included in this model on top of the well-known elastic Brownian ratchet formulation. A closed form solution is provided from which the force-velocity relationship, summarizing the mechanics of polymerization, can be drawn. Model predictions on the velocity of moving beads driven by actin polymerization are consistent with experiment observations. This model also seems capable of explaining the enhanced actin-based motility of Listeria monocytogenes and beads by the presence of Vasodilator-stimulated phosphoprotein, as observed in recent experiments.

  2. Mechanics model for actin-based motility

    NASA Astrophysics Data System (ADS)

    Lin, Yuan

    2009-02-01

    We present here a mechanics model for the force generation by actin polymerization. The possible adhesions between the actin filaments and the load surface, as well as the nucleation and capping of filament tips, are included in this model on top of the well-known elastic Brownian ratchet formulation. A closed form solution is provided from which the force-velocity relationship, summarizing the mechanics of polymerization, can be drawn. Model predictions on the velocity of moving beads driven by actin polymerization are consistent with experiment observations. This model also seems capable of explaining the enhanced actin-based motility of Listeria monocytogenes and beads by the presence of Vasodilator-stimulated phosphoprotein, as observed in recent experiments.

  3. Requirements for energy based constitutive modeling in tire mechanics

    NASA Technical Reports Server (NTRS)

    Luchini, John R.; Peters, Jim M.; Mars, Will V.

    1995-01-01

    The history, requirements, and theoretical basis of a new energy based constitutive model for (rubber) material elasticity, hysteresis, and failure are presented. Energy based elasticity is handled by many constitutive models, both in one dimension and in three dimensions. Conversion of mechanical energy to heat can be modeled with viscoelasticity or as structural hysteresis. We are seeking unification of elasticity, hysteresis, and failure mechanisms such as fatigue and wear. An energy state characterization for failure criteria of (rubber) materials may provide this unification and also help explain the interaction of temperature effects with failure mechanisms which are described as creation of growth of internal crack surface. Improved structural modeling of tires with FEM should result from such a unified constitutive theory. The theory will also guide experimental work and should enable better interpretation of the results of computational stress analyses.

  4. Phase-field elasticity model based on mechanical jump conditions

    NASA Astrophysics Data System (ADS)

    Schneider, Daniel; Tschukin, Oleg; Choudhury, Abhik; Selzer, Michael; Böhlke, Thomas; Nestler, Britta

    2015-05-01

    Computational models based on the phase-field method typically operate on a mesoscopic length scale and resolve structural changes of the material and furthermore provide valuable information about microstructure and mechanical property relations. An accurate calculation of the stresses and mechanical energy at the transition region is therefore indispensable. We derive a quantitative phase-field elasticity model based on force balance and Hadamard jump conditions at the interface. Comparing the simulated stress profiles calculated with Voigt/Taylor (Annalen der Physik 274(12):573, 1889), Reuss/Sachs (Z Angew Math Mech 9:49, 1929) and the proposed model with the theoretically predicted stress fields in a plate with a round inclusion under hydrostatic tension, we show the quantitative characteristics of the model. In order to validate the elastic contribution to the driving force for phase transition, we demonstrate the absence of excess energy, calculated by Durga et al. (Model Simul Mater Sci Eng 21(5):055018, 2013), in a one-dimensional equilibrium condition of serial and parallel material chains. To validate the driving force for systems with curved transition regions, we relate simulations to the Gibbs-Thompson equilibrium condition (Johnson and Alexander, J Appl Phys 59(8):2735, 1986).

  5. Time dependent mechanical modeling for polymers based on network theory

    SciTech Connect

    Billon, Noëlle

    2016-05-18

    Despite of a lot of attempts during recent years, complex mechanical behaviour of polymers remains incompletely modelled, making industrial design of structures under complex, cyclic and hard loadings not totally reliable. The non linear and dissipative viscoelastic, viscoplastic behaviour of those materials impose to take into account non linear and combined effects of mechanical and thermal phenomena. In this view, a visco-hyperelastic, viscoplastic model, based on network description of the material has recently been developed and designed in a complete thermodynamic frame in order to take into account those main thermo-mechanical couplings. Also, a way to account for coupled effects of strain-rate and temperature was suggested. First experimental validations conducted in the 1D limit on amorphous rubbery like PMMA in isothermal conditions led to pretty goods results. In this paper a more complete formalism is presented and validated in the case of a semi crystalline polymer, a PA66 and a PET (either amorphous or semi crystalline) are used. Protocol for identification of constitutive parameters is described. It is concluded that this new approach should be the route to accurately model thermo-mechanical behaviour of polymers using a reduced number of parameters of some physical meaning.

  6. Dynamic modelling and analysis of biochemical networks: mechanism-based models and model-based experiments.

    PubMed

    van Riel, Natal A W

    2006-12-01

    Systems biology applies quantitative, mechanistic modelling to study genetic networks, signal transduction pathways and metabolic networks. Mathematical models of biochemical networks can look very different. An important reason is that the purpose and application of a model are essential for the selection of the best mathematical framework. Fundamental aspects of selecting an appropriate modelling framework and a strategy for model building are discussed. Concepts and methods from system and control theory provide a sound basis for the further development of improved and dedicated computational tools for systems biology. Identification of the network components and rate constants that are most critical to the output behaviour of the system is one of the major problems raised in systems biology. Current approaches and methods of parameter sensitivity analysis and parameter estimation are reviewed. It is shown how these methods can be applied in the design of model-based experiments which iteratively yield models that are decreasingly wrong and increasingly gain predictive power.

  7. Dynamic fragmentation of brittle materials: analytical mechanics-based models

    NASA Astrophysics Data System (ADS)

    Drugan, W. J.

    2001-06-01

    Two analytical mechanics-based models of dynamic fragmentation in brittle materials are proposed and solved to predict fragment size and time to fragmentation onset in terms of fundamental material properties and the applied strain rate. Previous widely adopted analytical models of dynamic fragmentation are based on relatively simple energy balance arguments, and assume that the fragmentation event occurs instantaneously. The present models account for the actual time-varying dynamic deformation that occurs prior to fragmentation onset. One of the models treats the fragmenting material as initially flaw-free, and determines the minimum fragment size predicted by a dynamic instability analysis. The second model accounts for initial flaw spacing (which may correlate physically with, for example, grain size), and a dynamic instability analysis is employed to determine which flaws become critical. The fragment size predictions of the present models and two previous energy-based models are found to agree at extremely high strain rates (≈5×10 7/s for dense alumina), but the present, more realistic analysis indicates that the regime of validity of the energy-based models is rather restricted. The predictions of the present models are also shown to agree with those of a recent numerical finite element simulation of dynamic fragmentation which applies to a lower strain rate regime. Comparisons of the two new models show that if a material contains initial flaws whose spacing is smaller than the predicted fragment size of an equivalent "unflawed" material, the fragment size of the preflawed material will be smaller in general, but usually not as small as the initial flaw spacing. The analysis also permits determination of the evolution of the strain rate distribution in a prospective fragment before and after fragmentation initiation; results are presented for some example cases. Finally, closed-form analytical results are derived for minimum fragment size and time to

  8. A mechanism-based approach to modeling ductile fracture.

    SciTech Connect

    Bammann, Douglas J.; Hammi, Youssef; Antoun, Bonnie R.; Klein, Patrick A.; Foulk, James W., III; McFadden, Sam X.

    2004-01-01

    Ductile fracture in metals has been observed to result from the nucleation, growth, and coalescence of voids. The evolution of this damage is inherently history dependent, affected by how time-varying stresses drive the formation of defect structures in the material. At some critically damaged state, the softening response of the material leads to strain localization across a surface that, under continued loading, becomes the faces of a crack in the material. Modeling localization of strain requires introduction of a length scale to make the energy dissipated in the localized zone well-defined. In this work, a cohesive zone approach is used to describe the post-bifurcation evolution of material within the localized zone. The relations are developed within a thermodynamically consistent framework that incorporates temperature and rate-dependent evolution relationships motivated by dislocation mechanics. As such, we do not prescribe the evolution of tractions with opening displacements across the localized zone a priori. The evolution of tractions is itself an outcome of the solution of particular, initial boundary value problems. The stress and internal state of the material at the point of bifurcation provides the initial conditions for the subsequent evolution of the cohesive zone. The models we develop are motivated by in-situ scanning electron microscopy of three-point bending experiments using 6061-T6 aluminum and 304L stainless steel, The in situ observations of the initiation and evolution of fracture zones reveal the scale over which the failure mechanisms act. In addition, these observations are essential for motivating the micromechanically-based models of the decohesion process that incorporate the effects of loading mode mixity, temperature, and loading rate. The response of these new cohesive zone relations is demonstrated by modeling the three-point bending configuration used for the experiments. In addition, we survey other methods with the potential

  9. Molecular mechanics modeling of azobenzene-based photoswitches.

    PubMed

    Duchstein, Patrick; Neiss, Christian; Görling, Andreas; Zahn, Dirk

    2012-06-01

    We present an extension of the generalized amber force field to allow the modeling of azobenzenes by means of classical molecular mechanics. TD-DFT calculations were employed to derive different interaction models for 4-hydroxy-4'-methyl-azobenzene, including the ground (S(0)) and S(1) excited state. For both states, partial charges and the -N = N- torsion potentials were characterized. On this basis, we pave the way to large-scale model simulations involving azobenzene molecular switches. Using the example of an isolated molecule, the mechanics of cyclic switching processes are demonstrated by classical molecular dynamics simulations.

  10. THE FUTURE OF COMPUTER-BASED TOXICITY PREDICTION: MECHANISM-BASED MODELS VS. INFORMATION MINING APPROACHES

    EPA Science Inventory


    The Future of Computer-Based Toxicity Prediction:
    Mechanism-Based Models vs. Information Mining Approaches

    When we speak of computer-based toxicity prediction, we are generally referring to a broad array of approaches which rely primarily upon chemical structure ...

  11. THE FUTURE OF COMPUTER-BASED TOXICITY PREDICTION: MECHANISM-BASED MODELS VS. INFORMATION MINING APPROACHES

    EPA Science Inventory


    The Future of Computer-Based Toxicity Prediction:
    Mechanism-Based Models vs. Information Mining Approaches

    When we speak of computer-based toxicity prediction, we are generally referring to a broad array of approaches which rely primarily upon chemical structure ...

  12. Predictive representations can link model-based reinforcement learning to model-free mechanisms.

    PubMed

    Russek, Evan M; Momennejad, Ida; Botvinick, Matthew M; Gershman, Samuel J; Daw, Nathaniel D

    2017-09-01

    Humans and animals are capable of evaluating actions by considering their long-run future rewards through a process described using model-based reinforcement learning (RL) algorithms. The mechanisms by which neural circuits perform the computations prescribed by model-based RL remain largely unknown; however, multiple lines of evidence suggest that neural circuits supporting model-based behavior are structurally homologous to and overlapping with those thought to carry out model-free temporal difference (TD) learning. Here, we lay out a family of approaches by which model-based computation may be built upon a core of TD learning. The foundation of this framework is the successor representation, a predictive state representation that, when combined with TD learning of value predictions, can produce a subset of the behaviors associated with model-based learning, while requiring less decision-time computation than dynamic programming. Using simulations, we delineate the precise behavioral capabilities enabled by evaluating actions using this approach, and compare them to those demonstrated by biological organisms. We then introduce two new algorithms that build upon the successor representation while progressively mitigating its limitations. Because this framework can account for the full range of observed putatively model-based behaviors while still utilizing a core TD framework, we suggest that it represents a neurally plausible family of mechanisms for model-based evaluation.

  13. Modeling mechanical energy storage in springs based on carbon nanotubes.

    PubMed

    Hill, F A; Havel, T F; Livermore, C

    2009-06-24

    A modeling study of the potential for storing energy in the elastic deformation of springs comprised of carbon nanotubes (CNTs) is presented. Analytic models were generated to estimate the ideal achievable energy density in CNTs subject to axial tension, compression, bending and torsion, taking into account limiting mechanisms such as the strength of individual CNTs, the onset of buckling, and the packing density limitations of CNT groupings. The stored energy density in CNT springs is predicted to be highest under tensile loading, with maximum values more than three orders of magnitude greater than the energy density of steel springs, and approximately eight times greater than the energy density of lithium-ion batteries. Densely packed bundles of precisely aligned, small diameter single-walled carbon nanotubes are identified as the best structure for high performance springs. The conceptual design and modeling of a portable electric power source that stores energy in a CNT spring are presented as tools for studying the potential performance of a system for generating electricity from the CNTs' stored mechanical energy.

  14. A stereo model based upon mechanisms of human binocular vision

    NASA Technical Reports Server (NTRS)

    Griswold, N. C.; Yeh, C. P.

    1986-01-01

    A model for stereo vision, which is based on the human-binocular vision system, is proposed. Data collected from studies of neurophysiology of the human binocular system are discussed. An algorithm for the implementation of this stereo vision model is derived. The algorithm is tested on computer-generated and real scene images. Examples of a computer-generated image and a grey-level image are presented. It is noted that the proposed method is computationally efficient for depth perception, and the results indicate accuracies that are noise tolerant.

  15. A stereo model based upon mechanisms of human binocular vision

    NASA Technical Reports Server (NTRS)

    Griswold, N. C.; Yeh, C. P.

    1986-01-01

    A model for stereo vision, which is based on the human-binocular vision system, is proposed. Data collected from studies of neurophysiology of the human binocular system are discussed. An algorithm for the implementation of this stereo vision model is derived. The algorithm is tested on computer-generated and real scene images. Examples of a computer-generated image and a grey-level image are presented. It is noted that the proposed method is computationally efficient for depth perception, and the results indicate accuracies that are noise tolerant.

  16. A mechanism-based approach for absorption modeling: the Gastro-Intestinal Transit Time (GITT) model.

    PubMed

    Hénin, Emilie; Bergstrand, Martin; Standing, Joseph F; Karlsson, Mats O

    2012-06-01

    Absorption models used in the estimation of pharmacokinetic drug characteristics from plasma concentration data are generally empirical and simple, utilizing no prior information on gastro-intestinal (GI) transit patterns. Our aim was to develop and evaluate an estimation strategy based on a mechanism-based model for drug absorption, which takes into account the tablet movement through the GI transit. This work is an extension of a previous model utilizing tablet movement characteristics derived from magnetic marker monitoring (MMM) and pharmacokinetic data. The new approach, which replaces MMM data with a GI transit model, was evaluated in data sets where MMM data were available (felodipine) or not available (diclofenac). Pharmacokinetic profiles in both datasets were well described by the model according to goodness-of-fit plots. Visual predictive checks showed the model to give superior simulation properties compared with a standard empirical approach (first-order absorption rate + lag-time). This model represents a step towards an integrated mechanism-based NLME model, where the use of physiological knowledge and in vitro–in vivo correlation helps fully characterize PK and generate hypotheses for new formulations or specific populations.

  17. Promoting Evidence-Based Practice: Models and Mechanisms from Cross-Sector Review

    ERIC Educational Resources Information Center

    Nutley, Sandra; Walter, Isabel; Davies, Huw T. O.

    2009-01-01

    This article draws on both a cross-sector literature review of mechanisms to promote evidence-based practice and a specific review of ways of improving research use in social care. At the heart of the article is a discussion of three models of evidence-based practice: the research-based practitioner model, the embedded research model, and the…

  18. VISUALIZATION-BASED ANALYSIS FOR A MIXED-INHIBITION BINARY PBPK MODEL: DETERMINATION OF INHIBITION MECHANISM

    EPA Science Inventory

    A physiologically-based pharmacokinetic (PBPK) model incorporating mixed enzyme inhibition was used to determine the mechanism of metabolic interactions occurring during simultaneous exposures to the organic solvents chloroform and trichloroethylene (TCE). Visualization-based se...

  19. Nonlinear mechanisms determining expiratory flow limitation in mechanical ventilation: a model-based interpretation.

    PubMed

    Barbini, Paolo; Cevenini, Gabriele; Avanzolni, Guido

    2003-09-01

    A nonlinear model of breathing mechanics, in which the tracheobronchial airways are considered in three serial segments, is presented to obtain insights into the mechanisms underlying expiratory flow limitation (EFL) in mechanically ventilated patients. Chronic obstructive pulmonary disease (COPD) and normal conditions were simulated and EFL was detected by application of negative expiratory pressure at the mouth or resistance reduction of the expiratory circuit. Simulation results confirm that both techniques reveal remarkable differences in the flow-volume curves between normal subjects and COPD patients, the former showing absence of EFL and the latter exhibiting EFL over most of the expiration. To interpret the role of different nonlinear mechanisms in producing EFL, different flow-volume curves obtained by changing model parameter values were analyzed. An increase in lower-airway resistance did not give rise to EFL, whereas a change in the pressure-volume characteristic of the intermediate-airway segment, towards increased resistance and easier collapse, significantly modified system behavior. In particular, EFL was observed when this intermediate-segment change was combined with an increase in lower-airway resistance. This evidence suggests that modifications, producing loss of radial traction and consequent narrowing of the airways in the peribronchial region, may play a leading role in EFL in COPD patients.

  20. Finite element based micro-mechanics modeling of textile composites

    NASA Technical Reports Server (NTRS)

    Glaessgen, E. H.; Griffin, O. H., Jr.

    1995-01-01

    Textile composites have the advantage over laminated composites of a significantly greater damage tolerance and resistance to delamination. Currently, a disadvantage of textile composites is the inability to examine the details of the internal response of these materials under load. Traditional approaches to the study fo textile based composite materials neglect many of the geometric details that affect the performance of the material. The present three dimensional analysis, based on the representative volume element (RVE) of a plain weave, allows prediction of the internal details of displacement, strain, stress, and failure quantities. Through this analysis, the effect of geometric and material parameters on the aforementioned quantities are studied.

  1. VISUALIZATION-BASED ANALYSIS FOR A MIXED-INHIBITION BINARY PBPK MODEL: DETERMINATION OF INHIBITION MECHANISM

    EPA Science Inventory

    A physiologically-based pharmacokinetic (PBPK) model incorporating mixed enzyme inhibition was used to determine mechanism of the metabolic interactions occurring during simultaneous inhalation exposures to the organic solvents chloroform and trichloroethylene (TCE).

    V...

  2. VISUALIZATION-BASED ANALYSIS FOR A MIXED-INHIBITION BINARY PBPK MODEL: DETERMINATION OF INHIBITION MECHANISM

    EPA Science Inventory

    A physiologically-based pharmacokinetic (PBPK) model incorporating mixed enzyme inhibition was used to determine mechanism of the metabolic interactions occurring during simultaneous inhalation exposures to the organic solvents chloroform and trichloroethylene (TCE).

    V...

  3. Modeling the mechanics of graphene-based polymer composite film measured by the bulge test

    NASA Astrophysics Data System (ADS)

    Zhang, Jian-Jun; Sun, You-yi; Li, Dian-sen; Cao, Yang; Wang, Zuo; Ma, Jing; Zhao, Gui-Zhe

    2015-10-01

    Graphene-based polymer composite films have wide-ranging potential applications, such as in sensors, electromagnetic shielding, absorbing materials, corrosion resistance and so on. In addition, the practical applications of graphene-based polymer composite films are closely related to their mechanical properties. However, the mechanical properties of graphene-based polymer composite films are difficult to characterize with tensile tests. In this paper, the bugle test was used to investigate the mechanical properties of graphene-based polymer composite films. The experimental results show that the Young’s modulus of polymer composite films increases non-linearly with an increase in the doping content of graphene, and viscoelastic deformation is induced under cyclic loading conditions. Moreover, in order to describe their mechanical behavior, an ‘Arruda-Boyce’ finite-strain constitutive model (modified BPA model), based on the strain amplification hypothesis, and a traditional ‘Arruda-Boyce’ model was proposed, which incorporated many of the features of previous theories. The numerical treatment of the modified BPA model associated with finite element analysis is also discussed. This new model is shown to be able to predict the experimentally observed mechanical behavior of graphene based polymer composite films measured by the bugle test effectively.

  4. Transgenerational inheritance: Models and mechanisms of non-DNA sequence-based inheritance.

    PubMed

    Miska, Eric A; Ferguson-Smith, Anne C

    2016-10-07

    Heritability has traditionally been thought to be a characteristic feature of the genetic material of an organism-notably, its DNA. However, it is now clear that inheritance not based on DNA sequence exists in multiple organisms, with examples found in microbes, plants, and invertebrate and vertebrate animals. In mammals, the molecular mechanisms have been challenging to elucidate, in part due to difficulties in designing robust models and approaches. Here we review some of the evidence, concepts, and potential mechanisms of non-DNA sequence-based transgenerational inheritance. We highlight model systems and discuss whether phenotypes are replicated or reconstructed over successive generations, as well as whether mechanisms operate at transcriptional and/or posttranscriptional levels. Finally, we explore the short- and long-term implications of non-DNA sequence-based inheritance. Understanding the effects of non-DNA sequence-based mechanisms is key to a full appreciation of heritability in health and disease.

  5. A novel multilayer model with controllable mechanical properties for magnesium-based bone plates.

    PubMed

    Zhou, Juncen; Huang, Wanru; Li, Qing; She, Zuxin; Chen, Funan; Li, Longqin

    2015-04-01

    Proper mechanical properties are essential for the clinical application of magnesium-based implants. In the present work, a novel multilayer model composed of three layers with desirable features was developed. The modulus of the multilayer model can be adjusted by changing the thickness of each layer. To combine three layers and improve the corrosion resistance of the whole multilayer model, the polycaprolactone coating was employed. In the immersion test, pH values, the concentration of released magnesium ions, and weight loss indicate that the corrosion rate of multilayer models is considerable lower than that of the one-layer bare substrate. The three-point bending test, which is used to examine models' mechanical properties, shows that the flexural modulus of multilayer models is reduced effectively. In addition, the mechanical degradation of multilayer models is more stable, compared to the one-layer substrate.

  6. Charge transport model in nanodielectric composites based on quantum tunneling mechanism and dual-level traps

    SciTech Connect

    Li, Guochang; Chen, George E-mail: sli@mail.xjtu.edu.cn; Li, Shengtao E-mail: sli@mail.xjtu.edu.cn

    2016-08-08

    Charge transport properties in nanodielectrics present different tendencies for different loading concentrations. The exact mechanisms that are responsible for charge transport in nanodielectrics are not detailed, especially for high loading concentration. A charge transport model in nanodielectrics has been proposed based on quantum tunneling mechanism and dual-level traps. In the model, the thermally assisted hopping (TAH) process for the shallow traps and the tunnelling process for the deep traps are considered. For different loading concentrations, the dominant charge transport mechanisms are different. The quantum tunneling mechanism plays a major role in determining the charge conduction in nanodielectrics with high loading concentrations. While for low loading concentrations, the thermal hopping mechanism will dominate the charge conduction process. The model can explain the observed conductivity property in nanodielectrics with different loading concentrations.

  7. Shape memory behavior of epoxy-based model materials: Tailoring approaches and thermo-mechanical modeling

    NASA Astrophysics Data System (ADS)

    Pandini, Stefano; Avanzini, Andrea; Battini, Davide; Berardi, Mario; Baldi, Francesco; Bignotti, Fabio

    2016-05-01

    A series of structurally related epoxy resins were prepared as model systems for the investigation of the shape memory response, with the aim to assess the possibility of tailoring their thermo-mechanical response and conveniently describing their strain evolution under triggering stimuli with a simple thermoviscoelastic model. The resins formulation was varied in order to obtain systems with controlled glass transition temperature and crosslink density. The shape memory response was investigated by means of properly designed thermo-mechanical cycles, which allowed to measure both the ability to fully recover the applied strain and to exert a stress on a confining medium. The results were also compared with the predictions obtained by finite element simulations of the thermo-mechanical cycle by the employ of a model whose parameters were implemented from classical DMA analysis.

  8. Analytical Compliance Modeling of Serial Flexure-Based Compliant Mechanism Under Arbitrary Applied Load

    NASA Astrophysics Data System (ADS)

    Wang, Li-Ping; Jiang, Yao; Li, Tie-Min

    2017-07-01

    Analytical compliance model is vital to the flexure- based compliant mechanism in its mechanical design and motion control. The matrix is a common and effective approach in the compliance modeling while it is not well developed for the closed-loop serial and parallel compliant mechanisms and is not applicable to the situation when the external loads are applied on the flexure members. Concise and explicit analytical compliance models of the serial flexure-based compliant mechanisms under arbitrary loads are derived by using the matrix method. An equivalent method is proposed to deal with the situation when the external loads are applied on the flexure members. The external loads are transformed to concentrated forces applied on the rigid links, which satisfy the equations of static equilibrium and also guarantee that the deformations at the displacement output point remain unchanged. Then the matrix method can be still adopted for the compliance analysis of the compliant mechanism. Finally, several specific examples and an experimental test are given to verify the effectiveness of the compliance models and the force equivalent method. The research enriches the matrix method and provides concise analytical compliance models for the serial compliant mechanism.

  9. Slow Pain Generation Model Caused by Mechanical Stimulus Based on the Laminated Structure of Skin

    NASA Astrophysics Data System (ADS)

    Matsunaga, Nobutomo; Akayama, Seiko; Kawaji, Shigeyasu

    For design of the autonomous robot, action learning ability based on the subjective feeling pain is an important issue. In our previous researches, artificial superficial pain model caused by impact had been studied and the transmission mechanism focused on the input-output relations was proposed. However, the generation mechanism of the pain has not been considered yet. In this paper, the pain model of slow pain considering the skin dynamics is proposed. It is clarified from the FEM simulations that the strain energy density (SED) caused around the layer is related to the subjective pain level. From the experimental pain caused by quasi-static motion, the proposed pain model is evaluated.

  10. A Theoretical Contact Mechanics Model of Machine Joint Interfaces Based on Fractal Theory

    NASA Astrophysics Data System (ADS)

    Liu, Wenwei; Wang, Yuanhang; Li, Xiaobing; Huang, Chuangmian; Yang, Jianfeng; Pan, GuangZe; Ding, Xiaojian

    2017-06-01

    To obtain more accurate contact mechanics model of joint interfaces theoretically, A theoretical contact mechanics model of joint interfaces based on fractal theory was proposed. An improved 3D WM fractal function was used to characterize the contact surface, contact load and contact area equations of asperities in elastoplastic deformation regime were established, solutions for the relationships of area-displacement and force-displacement in the elastoplastic deformation regime was done based on Hertz contact theory and fractal theory, and the present model was proven to be effective by comparing the present model to other four classical contact models and test data. Furthermore, simulations and numerical calculation results reveal nonlinear relation between the influence factors and the contact area.

  11. Incorporation of the Deshpande-Evans mechanism-based damage model into the EPIC code

    NASA Astrophysics Data System (ADS)

    Holmquist, Timothy J.; Johnson, Gordon R.

    2012-03-01

    This article presents the incorporation of a mechanism-based failure model into the EPIC code. The model was developed by Deshpande and Evans (DE) and is based on micromechanics and wing-crack theory. The model includes the effects of flaw size, flaw density, fracture toughness, friction, crack shape, and crack growth rate. It is also fully 3-dimensional and covers both compression and tension. Specifically, this work incorporates the DE damage model into the Johnson-Holmquist- Beissel (JHB) ceramic model providing a micromechanical approach for computing damage. A discussion of the DE damage model and its incorporation into the JHB model is provided. Computations are presented for two ballistic impact experiments into 99.5% - Al2O3 ceramic including some parametric effects.

  12. Incorporation of the Deshpande-Evans Mechanism-Based Damage Model into the EPIC Code

    NASA Astrophysics Data System (ADS)

    Holmquist, Timothy

    2011-06-01

    This article presents the incorporation of a mechanism-based failure model into the EPIC code. The model was developed by Deshpande and Evans (DE) and is based on micromechanics and wing-crack theory. The model includes the effects of flaw size, flaw density, fracture toughness, friction, crack shape, and crack growth rate. It is also fully 3-dimensional and covers both compression and tension. This work incorporates the DE model into the Johnson-Holmquist-Beissel (JHB) ceramic model and provides an optional, micromechanical, approach for computing damage. A discussion of the DE damage model including the theory and its incorporation into the JHB model is provided. Computations are also presented for several ballistic impact experiments into 99.5 alumina ceramic including some parametric effects.

  13. New models of the oculomotor mechanics based on data obtained with chronic muscle force transducers.

    PubMed

    Pfann, K D; Keller, E L; Miller, J M

    1995-01-01

    Several phenomenological models of the oculomotor mechanics that produce saccadic eye movements have been developed. These models have been based on measurements of macroscopic muscle and orbital tissue properties and measurements of eye kinematics during saccades. We recorded the forces generated by the medial and lateral recti during saccades in an alert, behaving monkey using chronically implanted force transducers. With this new data, we tested the ability of the classic saccade models to generate realistic muscle force profiles. Errors in the predictions of the classic saccade models led to a reexamination of the current models of extraocular muscle. Both a phenomenological, Hill-type muscle model and an approximation to Huxley's molecular level muscle model based on the cross-bridge mechanism of contraction (distribution moment model) were derived and studied for monkey extraocular muscle. Simulations of the distribution moment model led to insights suggesting (i) specific modifications in the lumped force/velocity relationship in the Hill-type model that resulted in this type of phenomenological model being able to generate realistic dynamics in extraocular muscle during saccades; (ii) the distribution of activity in the different fiber types in extraocular muscle may be central to the characteristics exhibited by the muscle during saccades; (iii) the transient properties of lengthening muscle such as yielding are not significant during saccades; and (iv) the series elastic component in active muscle may be predominantly generated by the elastic properties of the cross-bridges.

  14. Computational modelling of the mechanical behavior of nanocrystalline metals based on the deformation mechanisms and their transitions

    NASA Astrophysics Data System (ADS)

    Zhu, Baozhi

    There has been a growing research interest in understanding the mechanical behaviors and the deformation mechanisms of nanocrystalline metals and alloys in the past a few decades, due to their extraordinary mechanical prosperities, such as high strength; hardness, and wear resistance, which have great potentials in engineering applications. As grain sizes in crystalline metals and alloys transit down to the lower end of the nanometer range, the plastic deformations are no longer dominated by the intragrain dislocation activities. Instead deformations assisted by grain boundary start to play a more important role in deciding the mechanical response of the bulk materials, as the interfacial volume fraction increases with the reduction of grain sizes. A polycrystalline constitutive theory is developed in the form of the extend aggregate Taylor model of Asaro and Needleman for the nanocrystalline metals. The plastic deformation description is based on the Asaro, Krysl and Kad (AKK) model, which considers deformation mechanisms such as the emission of perfect, partial dislocations and deformation twins from grain boundary and grain boundary sliding when the grain size is sufficiently small in the nanometer regime (less than 100nm), and their transitions are governed by the factors such as grain size, stacking fault energy, temperature, and strain rate, etc. Therefore the effect of grain size distributions in addition to the mean grain size is considered important on the mechanical response in this constitutive theory. The grain size distributions can be simulated with the experimentally determined lognormal distributions for the electro-deposited nanocrystalline metals for example. Numerical simulations are carried out for nanocrystalline Ni, Cu, Al and Pd, and the simulated phenomena include the mechanical response of these materials when subjected to uniaxial tension and compression under different deformation rates, texture development under high pressure torsion

  15. On rate-dependent mechanical model for adaptive magnetorheological elastomer base isolator

    NASA Astrophysics Data System (ADS)

    Li, Yancheng; Li, Jianchun

    2017-04-01

    This paper presents research on the phenomenological model of an adaptive base isolator. The adaptive base isolator is made of field-dependent magnetorheological elastomer (MRE) which can alter its physical property under application of magnetic field. Experimental testing demonstrated that the developed MRE base isolator possesses an amazing ability to vary its stiffness under applied magnetic field. However, several challenges have been encountered when it comes modeling such novel device. For example, under a large deformation, the MRE base isolator exhibits a clear strain stiffening effect and this behavior escalates with the increasing of applied current. In addition, the MRE base isolator has also shown typical rate-dependent behavior. Following a review on mechanical models for viscos-elastic rubber devices, a novel rate-dependent model is proposed in this paper to capture the behavior of the new MRE base isolator. To develop a generalized model, the proposed model was evaluated using its performance under random displacement input and a seismic input. It shows that the proposed rate-dependent model can successfully describe the complex behavior of the device.

  16. Model-Based Fatigue Prognosis of Fiber-Reinforced Laminates Exhibiting Concurrent Damage Mechanisms

    NASA Technical Reports Server (NTRS)

    Corbetta, M.; Sbarufatti, C.; Saxena, A.; Giglio, M.; Goebel, K.

    2016-01-01

    Prognostics of large composite structures is a topic of increasing interest in the field of structural health monitoring for aerospace, civil, and mechanical systems. Along with recent advancements in real-time structural health data acquisition and processing for damage detection and characterization, model-based stochastic methods for life prediction are showing promising results in the literature. Among various model-based approaches, particle-filtering algorithms are particularly capable in coping with uncertainties associated with the process. These include uncertainties about information on the damage extent and the inherent uncertainties of the damage propagation process. Some efforts have shown successful applications of particle filtering-based frameworks for predicting the matrix crack evolution and structural stiffness degradation caused by repetitive fatigue loads. Effects of other damage modes such as delamination, however, are not incorporated in these works. It is well established that delamination and matrix cracks not only co-exist in most laminate structures during the fatigue degradation process but also affect each other's progression. Furthermore, delamination significantly alters the stress-state in the laminates and accelerates the material degradation leading to catastrophic failure. Therefore, the work presented herein proposes a particle filtering-based framework for predicting a structure's remaining useful life with consideration of multiple co-existing damage-mechanisms. The framework uses an energy-based model from the composite modeling literature. The multiple damage-mode model has been shown to suitably estimate the energy release rate of cross-ply laminates as affected by matrix cracks and delamination modes. The model is also able to estimate the reduction in stiffness of the damaged laminate. This information is then used in the algorithms for life prediction capabilities. First, a brief summary of the energy-based damage model

  17. An updated kernel-based Turing model for studying the mechanisms of biological pattern formation.

    PubMed

    Kondo, Shigeru

    2017-02-07

    The reaction-diffusion model presented by Alan Turing has recently been supported by experimental data and accepted by most biologists. However, scientists have recognized shortcomings when the model is used as the working hypothesis in biological experiments, particularly in studies in which the underlying molecular network is not fully understood. To address some such problems, this report proposes a new version of the Turing model. This alternative model is not represented by partial differential equations, but rather by the shape of an activation-inhibition kernel. Therefore, it is named the kernel-based Turing model (KT model). Simulation of the KT model with kernels of various shapes showed that it can generate all standard variations of the stable 2D patterns (spot, stripes and network), as well as some complex patterns that are difficult to generate with conventional mathematical models. The KT model can be used even when the detailed mechanism is poorly known, as the interaction kernel can often be detected by a simple experiment and the KT model simulation can be performed based on that experimental data. These properties of the KT model complement the shortcomings of conventional models and will contribute to the understanding of biological pattern formation.

  18. A dual model of entertainment-based and community-based mechanisms to explore continued participation in online entertainment communities.

    PubMed

    Deng, Yun; Hou, Jinghui; Ma, Xiao; Cai, Shuqin

    2013-05-01

    Online entertainment communities have exploded in popularity and drawn attention from researchers. However, few studies have investigated what leads people to remain active in such communities at the postadoption stage. We proposed and tested a dual model of entertainment-based and community-based mechanisms to examine the factors that affect individuals' continued participation in online entertainment communities. Survival analysis was employed on a longitudinal dataset of 2,302 users collected over 2 years from an online game community. Our results were highly consistent with the theoretical model. Specifically, under the entertainment-based mechanism, our findings showed that the intensities of initial use and frequent use were positive predictors of players' activity lifespan. Under the community-based mechanism, the results demonstrated that the number of guilds a player was affiliated with and the average number of days of being a guild member positively predict players' lifespan in the game. Overall, our study suggests that the entertainment-based mechanism and community-based mechanism are two key drivers that determinate individuals' continued participation in online entertainment communities.

  19. A numerical study of the left ventricle using structure-based bio-mechanical model

    NASA Astrophysics Data System (ADS)

    Zhu, Yunfei; Luo, Xiaoyu; Feng, Yaoqi

    A numerical study of the left ventricle using structure-based bio-mechanical model In space environment, microgravity and radiation can have deleterious effects on the cardiovascular system of the astronauts. The work in this paper is part of an ongoing effort to use mathematical models to provide a better understanding of the impact of long-duration spaceflight on the heart and blood vessels. In this study, we develop a computational left ventricle model before and after myocardium infarction based on cardiovascular mechanical theory. The anatomically realistic model has a rule-based fibre structure and a orthotropic structure-based constitutive model. The differences of deformations in the left ventricle before and after infarction are compared in details. In particular, the effects of fiber direction and fiber dispersion are examined. The disarray of both the fiber and sheet orientation is characterized by a dispersion parameter. The left ventricle volume is calculated from the MRI images and used for the optimization of the parameters of the myocardium. We provide the numerical framework for further study on effects of spaceflight on the cardiovascular system.

  20. Dislocation Density-Based Constitutive Model for the Mechanical Behavior of Irradiated Cu

    SciTech Connect

    Arsenlis, A; Wirth, B D; Rhee, M

    2003-04-10

    Performance degradation of structural steels in nuclear environments results from the development of a high number density of nanometer scale defects. The defects observed in copper-based alloys are composed of vacancy clusters in the form of stacking fault tetrahedra and/or prismatic dislocation loops, which impede dislocation glide and are evidenced in macroscopic uniaxial stress-strain curves as increased yield strengths, decreased total strain to failure, decreased work hardening and the appearance of a distinct upper yield point above a critical defect concentration (neutron dose). In this paper, we describe the development of an internal state variable model for the mechanical behavior of materials subject to these environments. This model has been developed within an information-passing multiscale materials modeling framework, in which molecular dynamics simulations of dislocation--radiation defect interactions, inform the final coarse-grained continuum model. The plasticity model includes mechanisms for dislocation density growth and multiplication and for radiation defect density evolution with dislocation interaction. The general behavior of the constitutive (single material point) model shows that as the defect density increases, the initial yield point increases and the initial strain hardening decreases. The final coarse-grained model is implemented into a finite element framework and used to simulate the behavior of tensile specimens with varying levels of irradiation induced material damage. The simulation results compare favorably with the experimentally observed mechanical properties of irradiated materials in terms of their increased strength, decreased hardening, and decreased ductility with increasing irradiation dose.

  1. A biophysically based mathematical model for the catalytic mechanism of glutathione reductase.

    PubMed

    Pannala, Venkat R; Bazil, Jason N; Camara, Amadou K S; Dash, Ranjan K

    2013-12-01

    Glutathione reductase (GR) catalyzes the reduction of oxidized glutathione (GSSG) to reduced glutathione (GSH) using NADPH as the reducing cofactor, and thereby maintains a constant GSH level in the system. GSH scavenges superoxide (O2(*-)) and hydroxyl radicals (OH) nonenzymatically or by serving as an electron donor to several enzymes involved in reactive oxygen species (ROS) detoxification. In either case, GSH oxidizes to GSSG and is subsequently regenerated by the catalytic action of GR. Although the GR kinetic mechanism has been extensively studied under various experimental conditions with variable substrates and products, the catalytic mechanism has not been studied in terms of a mechanistic model that accounts for the effects of the substrates and products on the reaction kinetics. The aim of this study is therefore to develop a comprehensive mathematical model for the catalytic mechanism of GR. We use available experimental data on GR kinetics from various species/sources to develop the mathematical model and estimate the associated model parameters. The model simulations are consistent with the experimental observation that GR operates via both ping-pong and sequential branching mechanisms based on relevant concentrations of its reaction substrate GSSG. Furthermore, we show the observed pH-dependent substrate inhibition of GR activity by GSSG and bimodal behavior of GR activity with pH. The model presents a unique opportunity to understand the effects of products on the kinetics of GR. The model simulations show that under physiological conditions, where both substrates and products are present, the flux distribution depends on the concentrations of both GSSG and NADP(+), with ping-pong flux operating at low levels and sequential flux dominating at higher levels. The kinetic model of GR may serve as a key module for the development of integrated models for ROS-scavenging systems to understand protection of cells under normal and oxidative stress

  2. Models of dark matter halos based on statistical mechanics: The classical King model

    NASA Astrophysics Data System (ADS)

    Chavanis, Pierre-Henri; Lemou, Mohammed; Méhats, Florian

    2015-03-01

    We consider the possibility that dark matter halos are described by the Fermi-Dirac distribution at finite temperature. This is the case if dark matter is a self-gravitating quantum gas made of massive neutrinos at statistical equilibrium. This is also the case if dark matter can be treated as a self-gravitating collisionless gas experiencing Lynden-Bell's type of violent relaxation. In order to avoid the infinite mass problem and carry out a rigorous stability analysis, we consider the fermionic King model. In this paper, we study the nondegenerate limit leading to the classical King model. This model was initially introduced to describe globular clusters. We propose to apply it also to large dark matter halos where quantum effects are negligible. We determine the caloric curve and study the thermodynamical stability of the different configurations. Equilibrium states exist only above a critical energy Ec in the microcanonical ensemble and only above a critical temperature Tc in the canonical ensemble. For E model to the observations of large dark matter halos. Because of collisions and evaporation, the central density increases while the slope of the halo density profile decreases until an instability takes place. We show that large dark matter halos are relatively well described by the King model at, or close to, the point of marginal microcanonical stability. At that point, the King model generates a density profile that can be approximated by the modified Hubble profile. This profile has a flat core and decreases as r-3 at large distances, like the observational Burkert profile. Less steep halos are unstable. For large halos, the flat core is due to finite temperature effects, not to quantum mechanics. We argue that statistical

  3. Mechanical modeling of soft biological tissues for application in virtual reality based laparoscopy simulators.

    PubMed

    Hutter, R; Schmitt, K U; Niederer, P

    2000-01-01

    For application in a Virtual Reality (VR) based laparoscopic surgery simulator, computationally efficient algorithms for the description of the mechanical behavior of soft tissue have been developed. The explicit Finite Element Method has turned out to be a robust method for this purpose provided that absolute strain formulations are applied. Furthermore, a VR model of a uterus and its adnexe has been generated and simulation results are presented.

  4. Nonlocal continuum-based modeling of mechanical characteristics of nanoscopic structures

    NASA Astrophysics Data System (ADS)

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

    2016-06-01

    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

  5. Microstructure-based Constitutive Models for Residual Mechanical Behavior of Aluminum Alloys after Fire Exposure

    NASA Astrophysics Data System (ADS)

    Summers, Patrick Timothy

    Aluminum alloys are increasingly being used in a broad spectrum of applications such as lightweight structures, light rail, bridge decks, marine crafts, and off-shore platforms. The post-fire (residual) integrity of aluminum structures is of particular concern as a severe degradation in mechanical properties may occur without catastrophic failure, even for short duration, low intensity fires. The lack of research characterizing residual mechanical behavior results in an unquantified mechanical state of the structure, potentially requiring excessively conservative repair. This research aims to develop an in-depth understanding of the mechanisms governing the residual aluminum alloys so as to establish a knowledge-base to assist intelligent structural repair. In this work, the residual mechanical behavior after fire exposure of marine-grade aluminum alloys AA5083-H116 and AA6061-T651 is characterized by extensive mechanical testing. Metallography was performed to identify the as-received and post-fire microstructural state. This extensive characterization was utilized to develop constitutive models for the residual elastoplastic mechanical behavior of the alloys. The constitutive models were developed as a series of sub-models to predict (i) microstructural evolution, (ii) residual yield strength, and (iii) strain hardening after fire exposure. The AA5083-H116 constitutive model was developed considering the microstructural processes of recovery and recrystallization. The residual yield strength was calculated considering solid solution, subgrain, and grain strengthening. A recovery model was used to predict subgrain growth and a recrystallization model was used to predict grain nucleation and growth, as well as subgrain annihilation. Strain hardening was predicted using the Kocks-Mecking-Estrin law modified to account for the additional dislocation storage and dynamic recovery of subgrains. The AA6061- T651 constitutive model was developed considering precipitate

  6. Parameterization of shrubby riparian vegetation for mechanically based modelling of plant deformation in flowing water

    NASA Astrophysics Data System (ADS)

    Waygand, Magdalena; Klösch, Mario; Buchinger, Matthias; Tritthart, Michael; Baur, Pamela; Egger, Gregory; Pfemeter, Martin; Sindelar, Christine; Habersack, Helmut

    2017-04-01

    During higher discharges, riparian vegetation becomes partially or fully submerged and interacts with the flow and sediment transport by acting as a roughness element to the flow. The geometry of flexible vegetation such as willows adjusts to the drag forces exerted by the flow, resulting in a strong variation of the flow resistance depending on the flow characteristics. So far, the deformation of submerged shrubby plants through bending and streamlining was considered in friction factors based on empirical data on plant deformation. We attempt to develop a mechanically based streamlining model for shrubby vegetation by considering the bending of stem and branches as well as the torsion acting onto the bases of the branches as a consequence of drag forces of the flow. For that purpose, we investigated several plants of Salix viminalis, which were coppiced to obtain multiple branches for a more natural, shrubby growth, to be further used in a research channel which offers free flowing discharges up to 10 m3 s-1. We determined the three-dimensional geometries of several plants by performing a photogrammetric analysis, and systematically measured branch and stem thicknesses at several locations. The obtained geometries and data on elastic modulus and shear modulus served for the development of a generic representation of the plant geometry and properties, which is used for the development of the mechanically based model of plant deformation. Preliminary results showed a significant contribution of torsion to plant deformation, emphasising the need of its consideration in physically based deformation models.

  7. Dynamical model of encapsulated gas microbubble under ultrasound based on elastic mechanics

    NASA Astrophysics Data System (ADS)

    Chen, Kang; Feng, JiangTao; Xu, KaiYu

    2017-07-01

    Based on the theory of elastic mechanics, a dynamical model of an encapsulated gas microbubble under ultrasound is presented. The dynamical motion of the microbubble is divided into three states: buckled, elastic, and ruptured. The model describes the compression-only behavior appropriately and derives the transient variation of the resonance frequency of the damped oscillation and the relation between the critical rupture radius and initial outer radius. The normal stress in the tangential direction plays the principal role in the rupture and buckling of the encapsulating shell, resulting in likely rupture for a larger microbubble and resistance to rupture for a thicker-shell microbubble. Comparison of proposed dynamical model with Marmottant's model has been given. The dynamical model can be employed in ultrasound medical diagnostics and therapy of drug incorporation or extravasation through further understanding the influence of the encapsulating shell.

  8. Identifying significant covariates for anti-HIV treatment response: mechanism-based differential equation models and empirical semiparametric regression models.

    PubMed

    Huang, Yangxin; Liang, Hua; Wu, Hulin

    2008-10-15

    In this paper, the mechanism-based ordinary differential equation (ODE) model and the flexible semiparametric regression model are employed to identify the significant covariates for antiretroviral response in AIDS clinical trials. We consider the treatment effect as a function of three factors (or covariates) including pharmacokinetics, drug adherence and susceptibility. Both clinical and simulated data examples are given to illustrate these two different kinds of modeling approaches. We found that the ODE model is more powerful to model the mechanism-based nonlinear relationship between treatment effects and virological response biomarkers. The ODE model is also better in identifying the significant factors for virological response, although it is slightly liberal and there is a trend to include more factors (or covariates) in the model. The semiparametric mixed-effects regression model is very flexible to fit the virological response data, but it is too liberal to identify correct factors for the virological response; sometimes it may miss the correct factors. The ODE model is also biologically justifiable and good for predictions and simulations for various biological scenarios. The limitations of the ODE models include the high cost of computation and the requirement of biological assumptions that sometimes may not be easy to validate. The methodologies reviewed in this paper are also generally applicable to studies of other viruses such as hepatitis B virus or hepatitis C virus.

  9. Mechanism-Based Modeling for Low Cycle Fatigue of Cast Austenitic Steel

    NASA Astrophysics Data System (ADS)

    Wu, Xijia; Quan, Guangchun; Sloss, Clayton

    2017-06-01

    A mechanism-based approach—the integrated creep-fatigue theory (ICFT)—is used to model low cycle fatigue behavior of 1.4848 cast austenitic steel over the temperature range from room temperature (RT) to 1173 K (900 °C) and the strain rate range from of 2 × 10-4 to 2 × 10-2 s-1. The ICFT formulates the material's constitutive equation based on the physical strain decomposition into mechanism strains, and the associated damage accumulation consisting of crack nucleation and propagation in coalescence with internally distributed damage. At room temperature, the material behavior is controlled by plasticity, resulting in a rate-independent and cyclically stable behavior. The material exhibits significant cyclic hardening at intermediate temperatures, 673 K to 873 K (400 °C to 600 °C), with negative strain rate sensitivity, due to dynamic strain aging. At high temperatures >1073 K (800 °C), time-dependent deformation is manifested with positive rate sensitivity as commonly seen in metallic materials at high temperature. The ICFT quantitatively delineates the contribution of each mechanism in damage accumulation, and predicts the fatigue life as a result of synergistic interaction of the above identified mechanisms. The model descriptions agree well with the experimental and fractographic observations.

  10. Mechanism-Based Modeling for Low Cycle Fatigue of Cast Austenitic Steel

    NASA Astrophysics Data System (ADS)

    Wu, Xijia; Quan, Guangchun; Sloss, Clayton

    2017-09-01

    A mechanism-based approach—the integrated creep-fatigue theory (ICFT)—is used to model low cycle fatigue behavior of 1.4848 cast austenitic steel over the temperature range from room temperature (RT) to 1173 K (900 °C) and the strain rate range from of 2 × 10-4 to 2 × 10-2 s-1. The ICFT formulates the material's constitutive equation based on the physical strain decomposition into mechanism strains, and the associated damage accumulation consisting of crack nucleation and propagation in coalescence with internally distributed damage. At room temperature, the material behavior is controlled by plasticity, resulting in a rate-independent and cyclically stable behavior. The material exhibits significant cyclic hardening at intermediate temperatures, 673 K to 873 K (400 °C to 600 °C), with negative strain rate sensitivity, due to dynamic strain aging. At high temperatures >1073 K (800 °C), time-dependent deformation is manifested with positive rate sensitivity as commonly seen in metallic materials at high temperature. The ICFT quantitatively delineates the contribution of each mechanism in damage accumulation, and predicts the fatigue life as a result of synergistic interaction of the above identified mechanisms. The model descriptions agree well with the experimental and fractographic observations.

  11. A quantum mechanics-based approach to model incident-induced dynamic driver behavior

    NASA Astrophysics Data System (ADS)

    Sheu, Jiuh-Biing

    2008-08-01

    A better understanding of the psychological factors influencing drivers, and the resulting driving behavior responding to incident-induced lane traffic phenomena while passing by an incident site is vital to the improvement of road safety. This paper presents a microscopic driver behavior model to explain the dynamics of the instantaneous driver decision process under lane-blocking incidents on adjacent lanes. The proposed conceptual framework decomposes the corresponding driver decision process into three sequential phases: (1) initial stimulus, (2) glancing-around car-following, and (3) incident-induced driving behavior. The theorem of quantum mechanics in optical flows is applied in the first phase to explain the motion-related perceptual phenomena while vehicles approach the incident site in adjacent lanes, followed by the incorporation of the effect of quantum optical flows in modeling the induced glancing-around car-following behavior in the second phase. Then, an incident-induced driving behavior model is formulated to reproduce the dynamics of driver behavior conducted in the process of passing by an incident site in the adjacent lanes. Numerical results of model tests using video-based incident data indicate the validity of the proposed traffic behavior model in analyzing the incident-induced lane traffic phenomena. It is also expected that such a proposed quantum-mechanics based methodology can throw more light if applied to driver psychology and response in anomalous traffic environments in order to improve road safety.

  12. The research Of Multilayer Thermal Insulation With Mechanical Properties Based On Model Analysis Test

    NASA Astrophysics Data System (ADS)

    Lianhua, Yin

    The heat shield of aircraft is made of the major thrusts structure with multilayer thermal insulation part. For protecting against thermo-radiation from larger thrusting force engine,the heat shield is installed around this engine nearby.The multilayer thermal insulation part with multilayer radiation/reflection structure is made of reflection layer and interval layer.At vacuum condition,these materials is higher heat insulation capability than other material,is applied for lots of pats on aircraft extensively.But because of these material is made of metal and nonmetal,it is impossible to receive it's mechanical properties of materials from mechanical tests.These paper describes a new measure of mechanical properties of materials in the heat shield based on model analysis test.At the requirement for the first order lateral frequency,these measure provide for the FEM analysis foundation on the optimization structure of the heat shield.

  13. Mechanical modeling of battery separator based on microstructure image analysis and stochastic characterization

    NASA Astrophysics Data System (ADS)

    Xu, Hongyi; Zhu, Min; Marcicki, James; Yang, Xiao Guang

    2017-03-01

    A microstructure-based modeling method is developed to predict the mechanical behaviors of lithium-ion battery separators. Existing battery separator modeling methods cannot capture the structural features on the microscale. To overcome this issue, we propose an image-based microstructure Representative Volume Element (RVE) modeling method, which facilitates the understanding of the separators' complex macro mechanical behaviors from the perspective of microstructural features. A generic image processing workflow is developed to identify different phases in the microscopic image. The processed RVE image supplies microstructural information to the Finite Element Analysis (FEA). Both mechanical behavior and microstructure evolution are obtained from the simulation. The evolution of microstructure features is quantified using the stochastic microstructure characterization methods. The proposed method successfully captures the anisotropic behavior of the separator under tensile test, and provides insights into the microstructure deformation, such as the growth of voids. We apply the proposed method to a commercially available separator as the demonstration. The analysis results are validated using experimental testing results that are reported in literature.

  14. Models of dark matter halos based on statistical mechanics: The fermionic King model

    NASA Astrophysics Data System (ADS)

    Chavanis, Pierre-Henri; Lemou, Mohammed; Méhats, Florian

    2015-12-01

    We discuss the nature of phase transitions in the fermionic King model which describes tidally truncated quantum self-gravitating systems. This distribution function takes into account the escape of high-energy particles and has a finite mass. On the other hand, the Pauli exclusion principle puts an upper bound on the phase-space density of the system and stabilizes it against gravitational collapse. As a result, there exists a statistical equilibrium state for all accessible values of energy and temperature. We plot the caloric curves and investigate the nature of phase transitions as a function of the degeneracy parameter in both microcanonical and canonical ensembles, extending the work of Chavanis [Int. J. Mod. Phys. B 20, 3113 (2006)] for box-confined configurations. We consider stable and metastable states and emphasize the importance of the latter for systems with long-range interactions. Phase transitions can take place between a "gaseous" phase unaffected by quantum mechanics and a "condensed" phase dominated by quantum mechanics. The phase diagram exhibits two critical points, one in each ensemble, beyond which the phase transitions disappear. There also exists a region of negative specific heats and a situation of ensemble inequivalence for sufficiently large systems. In the microcanonical ensemble, gravitational collapse (gravothermal catastrophe) results in the formation of a small degenerate object containing a small mass. This is accompanied by the expulsion of a hot envelope containing a large mass. In the canonical ensemble, gravitational collapse (isothermal collapse) leads to a small degenerate object containing almost all the mass. It is surrounded by a tenuous envelope. We apply the fermionic King model to the case of dark matter halos made of massive neutrinos following the work of de Vega, Salucci, and Sanchez [Mon. Not. R. Astron. Soc. 442, 2717 (2014)]. The gaseous phase describes large halos and the condensed phase describes dwarf halos

  15. Model-based selection of the robust JAK-STAT activation mechanism.

    PubMed

    Rybiński, Mikołaj; Gambin, Anna

    2012-09-21

    JAK-STAT pathway family is a principal signaling mechanism in eukaryotic cells. Evolutionary conserved roles of this mechanism include control over fundamental processes such as cell growth or apoptosis. Deregulation of the JAK-STAT signaling is frequently associated with cancerogenesis. JAK-STAT pathways become hyper-activated in many human tumors. Therefore, components of these pathways are an attractive target for drugs, which design requires as adequate models as possible. Although, in principle, JAK-STAT signaling is relatively simple, the ambiguities in a receptor activation prevent a clear explanation of the underlying molecular mechanism. Here, we compare four variants of a computational model of the JAK1/2-STAT1 signaling pathway. These variants capture known, basic discrepancies in the mechanism of activation of a cytokine receptor, in the context of all key components of the pathway. We carry out a comparative analysis using mass action kinetics. The investigated differences are so marginal that all models satisfy a goodness of fit criteria to the extent that the state of the art Bayesian model selection (BMS) method fails to significantly promote one model. Therefore, we comparatively investigate changes in a robustness of the JAK1/2-STAT1 pathway variants using the global sensitivity analysis method (GSA), complemented with the identifiability analysis (IA). Both BMS and GSA are used to analyze the models for the varying parameter values. We found out that, both BMS and GSA, narrowed down to the receptor activation component, slightly promote the least complex model. Further, insightful, comprehensive GSA, motivated by the concept of robustness, allowed us to show that the precise order of reactions of a ligand binding and a receptor dimerization is not as important as the on-membrane pre-assembly of the dimers in the absence of ligand. The main value of this work is an evaluation of the usefulness of different model selection methods in a frequently

  16. A hierarchical lattice spring model to simulate the mechanics of 2-D materials-based composites

    NASA Astrophysics Data System (ADS)

    Brely, Lucas; Bosia, Federico; Pugno, Nicola

    2015-07-01

    In the field of engineering materials, strength and toughness are typically two mutually exclusive properties. Structural biological materials such as bone, tendon or dentin have resolved this conflict and show unprecedented damage tolerance, toughness and strength levels. The common feature of these materials is their hierarchical heterogeneous structure, which contributes to increased energy dissipation before failure occurring at different scale levels. These structural properties are the key to exceptional bioinspired material mechanical properties, in particular for nanocomposites. Here, we develop a numerical model in order to simulate the mechanisms involved in damage progression and energy dissipation at different size scales in nano- and macro-composites, which depend both on the heterogeneity of the material and on the type of hierarchical structure. Both these aspects have been incorporated into a 2-dimensional model based on a Lattice Spring Model, accounting for geometrical nonlinearities and including statistically-based fracture phenomena. The model has been validated by comparing numerical results to continuum and fracture mechanics results as well as finite elements simulations, and then employed to study how structural aspects impact on hierarchical composite material properties. Results obtained with the numerical code highlight the dependence of stress distributions on matrix properties and reinforcement dispersion, geometry and properties, and how failure of sacrificial elements is directly involved in the damage tolerance of the material. Thanks to the rapidly developing field of nanocomposite manufacture, it is already possible to artificially create materials with multi-scale hierarchical reinforcements. The developed code could be a valuable support in the design and optimization of these advanced materials, drawing inspiration and going beyond biological materials with exceptional mechanical properties.

  17. Semi-Mechanism-Based Population Pharmacokinetic Modeling of the Hedgehog Pathway Inhibitor Vismodegib.

    PubMed

    Lu, T; Wang, B; Gao, Y; Dresser, M; Graham, R A; Jin, J Y

    2015-11-01

    Vismodegib, approved for the treatment of advanced basal cell carcinoma, has shown unique pharmacokinetic (PK) nonlinearity and binding to α1-acid glycoprotein (AAG) in humans. A semi-mechanism-based population pharmacokinetic (PopPK) model was developed from a meta-dataset of 225 subjects enrolled in five clinical studies to quantitatively describe the clinical PK of vismodegib and identify sources of interindividual variability. Total and unbound vismodegib were analyzed simultaneously, together with time-varying AAG data. The PK of vismodegib was adequately described by a one-compartment model with first-order absorption, first-order elimination of unbound drug, and saturable binding to AAG with fast-equilibrium. The variability of total vismodegib concentration at steady-state was predominantly explained by the range of AAG level. The impact of AAG on unbound concentration was clinically insignificant. Various approaches were evaluated for model validation. The semi-mechanism-based PopPK model described herein provided insightful information on the nonlinear PK and has been utilized for various clinical applications.

  18. Structure-Based Statistical Mechanical Model Accounts for the Causality and Energetics of Allosteric Communication

    PubMed Central

    Guarnera, Enrico; Berezovsky, Igor N.

    2016-01-01

    Allostery is one of the pervasive mechanisms through which proteins in living systems carry out enzymatic activity, cell signaling, and metabolism control. Effective modeling of the protein function regulation requires a synthesis of the thermodynamic and structural views of allostery. We present here a structure-based statistical mechanical model of allostery, allowing one to observe causality of communication between regulatory and functional sites, and to estimate per residue free energy changes. Based on the consideration of ligand free and ligand bound systems in the context of a harmonic model, corresponding sets of characteristic normal modes are obtained and used as inputs for an allosteric potential. This potential quantifies the mean work exerted on a residue due to the local motion of its neighbors. Subsequently, in a statistical mechanical framework the entropic contribution to allosteric free energy of a residue is directly calculated from the comparison of conformational ensembles in the ligand free and ligand bound systems. As a result, this method provides a systematic approach for analyzing the energetics of allosteric communication based on a single structure. The feasibility of the approach was tested on a variety of allosteric proteins, heterogeneous in terms of size, topology and degree of oligomerization. The allosteric free energy calculations show the diversity of ways and complexity of scenarios existing in the phenomenology of allosteric causality and communication. The presented model is a step forward in developing the computational techniques aimed at detecting allosteric sites and obtaining the discriminative power between agonistic and antagonistic effectors, which are among the major goals in allosteric drug design. PMID:26939022

  19. Sentence-Based Attentional Mechanisms in Word Learning: Evidence from a Computational Model

    PubMed Central

    Alishahi, Afra; Fazly, Afsaneh; Koehne, Judith; Crocker, Matthew W.

    2012-01-01

    When looking for the referents of novel nouns, adults and young children are sensitive to cross-situational statistics (Yu and Smith, 2007; Smith and Yu, 2008). In addition, the linguistic context that a word appears in has been shown to act as a powerful attention mechanism for guiding sentence processing and word learning (Landau and Gleitman, 1985; Altmann and Kamide, 1999; Kako and Trueswell, 2000). Koehne and Crocker (2010, 2011) investigate the interaction between cross-situational evidence and guidance from the sentential context in an adult language learning scenario. Their studies reveal that these learning mechanisms interact in a complex manner: they can be used in a complementary way when context helps reduce referential uncertainty; they influence word learning about equally strongly when cross-situational and contextual evidence are in conflict; and contextual cues block aspects of cross-situational learning when both mechanisms are independently applicable. To address this complex pattern of findings, we present a probabilistic computational model of word learning which extends a previous cross-situational model (Fazly et al., 2010) with an attention mechanism based on sentential cues. Our model uses a framework that seamlessly combines the two sources of evidence in order to study their emerging pattern of interaction during the process of word learning. Simulations of the experiments of (Koehne and Crocker, 2010, 2011) reveal an overall pattern of results that are in line with their findings. Importantly, we demonstrate that our model does not need to explicitly assign priority to either source of evidence in order to produce these results: learning patterns emerge as a result of a probabilistic interaction between the two clue types. Moreover, using a computational model allows us to examine the developmental trajectory of the differential roles of cross-situational and sentential cues in word learning. PMID:22783211

  20. Mechanism-based model of parasite growth and dihydroartemisinin pharmacodynamics in murine malaria.

    PubMed

    Patel, Kashyap; Batty, Kevin T; Moore, Brioni R; Gibbons, Peter L; Bulitta, Jürgen B; Kirkpatrick, Carl M

    2013-01-01

    Murine models are used to study erythrocytic stages of malaria infection, because parasite morphology and development are comparable to those in human malaria infections. Mechanism-based pharmacokinetic-pharmacodynamic (PK-PD) models for antimalarials are scarce, despite their potential to optimize antimalarial combination therapy. The aim of this study was to develop a mechanism-based growth model (MBGM) for Plasmodium berghei and then characterize the parasiticidal effect of dihydroartemisinin (DHA) in murine malaria (MBGM-PK-PD). Stage-specific (ring, early trophozoite, late trophozoite, and schizont) parasite density data from Swiss mice inoculated with Plasmodium berghei were used for model development in S-ADAPT. A single dose of intraperitoneal DHA (10 to 100 mg/kg) or vehicle was administered 56 h postinoculation. The MBGM explicitly reflected all four erythrocytic stages of the 24-hour P. berghei life cycle. Merozoite invasion of erythrocytes was described by a first-order process that declined with increasing parasitemia. An efflux pathway with subsequent return was additionally required to describe the schizont data, thus representing parasite sequestration or trapping in the microvasculature, with a return to circulation. A 1-compartment model with zero-order absorption described the PK of DHA, with an estimated clearance and distribution volume of 1.95 liters h(-1) and 0.851 liter, respectively. Parasite killing was described by a turnover model, with DHA inhibiting the production of physiological intermediates (IC(50), 1.46 ng/ml). Overall, the MBGM-PK-PD described the rise in parasitemia, the nadir following DHA dosing, and subsequent parasite resurgence. This novel model is a promising tool for studying malaria infections, identifying the stage specificity of antimalarials, and providing insight into antimalarial treatment strategies.

  1. Motion Planning for Concentric Tube Robots Using Mechanics-based Models.

    PubMed

    Torres, Luis G; Alterovitz, Ron

    2011-01-01

    Concentric tube robots have the potential to enable new minimally invasive surgical procedures by curving around anatomical obstacles to reach difficult-to-reach sites in body cavities. Planning motions for these devices is challenging in part due to their complex kinematics; concentric tube robots are composed of thin, pre-curved, telescoping tubes that can achieve a variety of shapes via extension and rotation of each of their constituent tubes. We introduce a new motion planner to maneuver these devices to clinical targets while minimizing the probability of colliding with anatomical obstacles. Unlike prior planners for these devices, we more accurately model device shape using mechanics-based models that consider torsional interaction between the tubes. We also account for the effects of uncertainty in actuation and predicted device shape. We integrate these models with a sampling-based approach based on the Rapidly-Exploring Roadmap to guarantee finding optimal plans as computation time is allowed to increase. We demonstrate our motion planner in simulation using a variety of evaluation scenarios including an anatomy-based neurosurgery case that requires maneuvering to a difficult-to-reach brain tumor at the skull base.

  2. A fluid-mechanic-based model for the sedimentation of flocculated suspensions

    SciTech Connect

    Chhabra, R.P.; Prasad, D. )

    1991-02-01

    Due to the wide occurrence of the suspensions of fine particles in mineral and chemical processing industries, considerable interest has been shown in modeling the hydrodynamic behavior of such systems. A fluid-mechanic-based analysis is presented for the settling behavior of flocculated4d suspensions. Flocs have been modeled as composite spheres consisting of a solid core embedded in a shell of homogeneous and isotropic porous medium. Theoretical estimates of the rates of sedimentation for flocculated suspensions are obtained by solving the equations of continuity and of motion. The interparticle interactions are incorporated into the analysis by employing the Happel free surface cell model. The results reported embrace wide ranges of conditions of floc size and concentration.

  3. The Impacts of Information-Sharing Mechanisms on Spatial Market Formation Based on Agent-Based Modeling

    PubMed Central

    Li, Qianqian; Yang, Tao; Zhao, Erbo; Xia, Xing’ang; Han, Zhangang

    2013-01-01

    There has been an increasing interest in the geographic aspects of economic development, exemplified by P. Krugman’s logical analysis. We show in this paper that the geographic aspects of economic development can be modeled using multi-agent systems that incorporate multiple underlying factors. The extent of information sharing is assumed to be a driving force that leads to economic geographic heterogeneity across locations without geographic advantages or disadvantages. We propose an agent-based market model that considers a spectrum of different information-sharing mechanisms: no information sharing, information sharing among friends and pheromone-like information sharing. Finally, we build a unified model that accommodates all three of these information-sharing mechanisms based on the number of friends who can share information. We find that the no information-sharing model does not yield large economic zones, and more information sharing can give rise to a power-law distribution of market size that corresponds to the stylized fact of city size and firm size distributions. The simulations show that this model is robust. This paper provides an alternative approach to studying economic geographic development, and this model could be used as a test bed to validate the detailed assumptions that regulate real economic agglomeration. PMID:23484007

  4. The impacts of information-sharing mechanisms on spatial market formation based on agent-based modeling.

    PubMed

    Li, Qianqian; Yang, Tao; Zhao, Erbo; Xia, Xing'ang; Han, Zhangang

    2013-01-01

    There has been an increasing interest in the geographic aspects of economic development, exemplified by P. Krugman's logical analysis. We show in this paper that the geographic aspects of economic development can be modeled using multi-agent systems that incorporate multiple underlying factors. The extent of information sharing is assumed to be a driving force that leads to economic geographic heterogeneity across locations without geographic advantages or disadvantages. We propose an agent-based market model that considers a spectrum of different information-sharing mechanisms: no information sharing, information sharing among friends and pheromone-like information sharing. Finally, we build a unified model that accommodates all three of these information-sharing mechanisms based on the number of friends who can share information. We find that the no information-sharing model does not yield large economic zones, and more information sharing can give rise to a power-law distribution of market size that corresponds to the stylized fact of city size and firm size distributions. The simulations show that this model is robust. This paper provides an alternative approach to studying economic geographic development, and this model could be used as a test bed to validate the detailed assumptions that regulate real economic agglomeration.

  5. Computer-based creativity enhanced conceptual design model for non-routine design of mechanical systems

    NASA Astrophysics Data System (ADS)

    Li, Yutong; Wang, Yuxin; Duffy, Alex H. B.

    2014-11-01

    Computer-based conceptual design for routine design has made great strides, yet non-routine design has not been given due attention, and it is still poorly automated. Considering that the function-behavior-structure(FBS) model is widely used for modeling the conceptual design process, a computer-based creativity enhanced conceptual design model(CECD) for non-routine design of mechanical systems is presented. In the model, the leaf functions in the FBS model are decomposed into and represented with fine-grain basic operation actions(BOA), and the corresponding BOA set in the function domain is then constructed. Choosing building blocks from the database, and expressing their multiple functions with BOAs, the BOA set in the structure domain is formed. Through rule-based dynamic partition of the BOA set in the function domain, many variants of regenerated functional schemes are generated. For enhancing the capability to introduce new design variables into the conceptual design process, and dig out more innovative physical structure schemes, the indirect function-structure matching strategy based on reconstructing the combined structure schemes is adopted. By adjusting the tightness of the partition rules and the granularity of the divided BOA subsets, and making full use of the main function and secondary functions of each basic structure in the process of reconstructing of the physical structures, new design variables and variants are introduced into the physical structure scheme reconstructing process, and a great number of simpler physical structure schemes to accomplish the overall function organically are figured out. The creativity enhanced conceptual design model presented has a dominant capability in introducing new deign variables in function domain and digging out simpler physical structures to accomplish the overall function, therefore it can be utilized to solve non-routine conceptual design problem.

  6. Experimental Test of an Event-Based Corpuscular Model Modification as an Alternative to Quantum Mechanics

    NASA Astrophysics Data System (ADS)

    Brida, Giorgio; Degiovanni, Ivo Pietro; Genovese, Marco; Migdall, Alan; Piacentini, Fabrizio; Polyakov, Sergey V.; Traina, Paolo

    2013-03-01

    We present the first experimental test that distinguishes between an event-based corpuscular model (EBCM) [H. De Raedt et al.: J. Comput. Theor. Nanosci. 8 (2011) 1052] of the interaction of photons with matter and quantum mechanics. The test looks at the interference that results as a single photon passes through a Mach--Zehnder interferometer [H. De Raedt et al.: J. Phys. Soc. Jpn. 74 (2005) 16]. The experimental results, obtained with a low-noise single-photon source [G. Brida et al.: Opt. Express 19 (2011) 1484], agree with the predictions of standard quantum mechanics with a reduced χ2 of 0.98 and falsify the EBCM with a reduced χ2 of greater than 20.

  7. A Mechanism-based Model for Deformation Twinning in Polycrystalline FCC Steel

    SciTech Connect

    Wang, Yuan; Sun, Xin; Wang, Y. D.; Hu, Xiaohua; Zbib, Hussein M.

    2014-06-01

    Deformation twinning, a common and important plastic deformation mechanism, is the key contributor to the excellent combination of strength and ductility in twinning-induced plasticity (TWIP) steel. In the open literature, a significant amount of research has been reported on the microstructural characteristics of deformation twinning and its influence on the overall deformation behavior of TWIP steel. In this study, we examine the feasibility of a mechanism-based crystal plasticity model in simulating the microstructural level deformation characteristics of TWIP steel. To this end, a model considering both double-slip and double-twin is developed to investigate the stress-strain behavior and local microstructural features related to the formation and growth of micro-twins in low stacking fault energy (SFE) TWIP steel. The twin systems are described as pseudo-slips that can be activated when their resolved shear stress reaches the corresponding critical value. A hardening law that accounts for the interaction among the slip and twin systems is also developed. Numerical simulations for dDifferent mesh sizes and single crystal patch tests under different loading modes are carried out to verify the modeling procedure. Our simulation results reveal that, despite its simple nature, the double-slip/double-twin model can capture the key deformation features of TWIP steel, including twin volume fraction evolution, continuous strain hardening, and the final fracture in the form of strain localization.

  8. Treatment-based Markov chain models clarify mechanisms of invasion in an invaded grassland community.

    PubMed

    Nelis, Lisa Castillo; Wootton, J Timothy

    2010-02-22

    What are the relative roles of mechanisms underlying plant responses in grassland communities invaded by both plants and mammals? What type of community can we expect in the future given current or novel conditions? We address these questions by comparing Markov chain community models among treatments from a field experiment on invasive species on Robinson Crusoe Island, Chile. Because of seed dispersal, grazing and disturbance, we predicted that the exotic European rabbit (Oryctolagus cuniculus) facilitates epizoochorous exotic plants (plants with seeds that stick to the skin an animal) at the expense of native plants. To test our hypothesis, we crossed rabbit exclosure treatments with disturbance treatments, and sampled the plant community in permanent plots over 3 years. We then estimated Markov chain model transition probabilities and found significant differences among treatments. As hypothesized, this modelling revealed that exotic plants survive better in disturbed areas, while natives prefer no rabbits or disturbance. Surprisingly, rabbits negatively affect epizoochorous plants. Markov chain dynamics indicate that an overall replacement of native plants by exotic plants is underway. Using a treatment-based approach to multi-species Markov chain models allowed us to examine the changes in the importance of mechanisms in response to experimental impacts on communities.

  9. Treatment-based Markov chain models clarify mechanisms of invasion in an invaded grassland community

    PubMed Central

    Nelis, Lisa Castillo; Wootton, J. Timothy

    2010-01-01

    What are the relative roles of mechanisms underlying plant responses in grassland communities invaded by both plants and mammals? What type of community can we expect in the future given current or novel conditions? We address these questions by comparing Markov chain community models among treatments from a field experiment on invasive species on Robinson Crusoe Island, Chile. Because of seed dispersal, grazing and disturbance, we predicted that the exotic European rabbit (Oryctolagus cuniculus) facilitates epizoochorous exotic plants (plants with seeds that stick to the skin an animal) at the expense of native plants. To test our hypothesis, we crossed rabbit exclosure treatments with disturbance treatments, and sampled the plant community in permanent plots over 3 years. We then estimated Markov chain model transition probabilities and found significant differences among treatments. As hypothesized, this modelling revealed that exotic plants survive better in disturbed areas, while natives prefer no rabbits or disturbance. Surprisingly, rabbits negatively affect epizoochorous plants. Markov chain dynamics indicate that an overall replacement of native plants by exotic plants is underway. Using a treatment-based approach to multi-species Markov chain models allowed us to examine the changes in the importance of mechanisms in response to experimental impacts on communities. PMID:19864293

  10. Ontology aided modeling of organic reaction mechanisms with flexible and fragment based XML markup procedures.

    PubMed

    Sankar, Punnaivanam; Aghila, Gnanasekaran

    2007-01-01

    The mechanism models for primary organic reactions encoding the structural fragments undergoing substitution, addition, elimination, and rearrangements are developed. In the proposed models, each and every structural component of mechanistic pathways is represented with flexible and fragment based markup technique in XML syntax. A significant feature of the system is the encoding of the electron movements along with the other components like charges, partial charges, half bonded species, lone pair electrons, free radicals, reaction arrows, etc. needed for a complete representation of reaction mechanism. The rendering of reaction schemes described with the proposed methodology is achieved with a concise XML extension language interoperating with the structure markup. The reaction scheme is visualized as 2D graphics in a browser by converting them into SVG documents enabling the desired layouts normally perceived by the chemists conventionally. An automatic representation of the complex patterns of the reaction mechanism is achieved by reusing the knowledge in chemical ontologies and developing artificial intelligence components in terms of axioms.

  11. Mechanical properties of methacrylate-based model dentin adhesives: Effect of loading rate and moisture exposure

    PubMed Central

    Singh, Viraj; Misra, Anil; Parthasarathy, Ranganathan; Ye, Qiang; Park, Jonggu; Spencer, Paulette

    2014-01-01

    The aim of this study is to investigate the mechanical behavior of model methacrylate-based dentin adhesives under conditions that simulate the wet oral environment. A series of monotonic and creep experiments were performed on rectangular beam samples of dentin adhesive in three-point bending configuration under different moisture conditions. The monotonic test results show a significant effect of loading rate on the failure strength and the linear limit (yield point) of the stress-strain response. In addition, these tests show that the failure strength is low, and the failure occurs at a smaller deformation when the test is performed under continuously changing moisture conditions. The creep test results show that under constant moisture conditions, the model dentin adhesives can have a viscoelastic response under certain low loading levels. However, when the moisture conditions vary under the same low loading levels, the dentin adhesives have an anomalous creep response accompanied by large secondary creep and high strain accumulation. PMID:23744598

  12. Model-based flaw localization from perturbations in the dynamic response of complex mechanical structures

    SciTech Connect

    Chambers, D H

    2009-02-24

    A new method of locating structural damage using measured differences in vibrational response and a numerical model of the undamaged structure has been presented. This method is particularly suited for complex structures with little or no symmetry. In a prior study the method successively located simulated damage from measurements of the vibrational response on two simple structures. Here we demonstrate that it can locate simulated damage in a complex structure. A numerical model of a complex structure was used to calculate the structural response before and after the introduction of a void. The method can now be considered for application to structures of programmatic interest. It could be used to monitor the structural integrity of complex mechanical structures and assemblies over their lifetimes. This would allow early detection of damage, when repair is relatively easy and inexpensive. It would also allow one to schedule maintenance based on actual damage instead of a time schedule.

  13. Mechanical Behavior of Cells within a Cell-Based Model of Wheat Leaf Growth

    PubMed Central

    Zubairova, Ulyana; Nikolaev, Sergey; Penenko, Aleksey; Podkolodnyy, Nikolay; Golushko, Sergey; Afonnikov, Dmitry; Kolchanov, Nikolay

    2016-01-01

    Understanding the principles and mechanisms of cell growth coordination in plant tissue remains an outstanding challenge for modern developmental biology. Cell-based modeling is a widely used technique for studying the geometric and topological features of plant tissue morphology during growth. We developed a quasi-one-dimensional model of unidirectional growth of a tissue layer in a linear leaf blade that takes cell autonomous growth mode into account. The model allows for fitting of the visible cell length using the experimental cell length distribution along the longitudinal axis of a wheat leaf epidermis. Additionally, it describes changes in turgor and osmotic pressures for each cell in the growing tissue. Our numerical experiments show that the pressures in the cell change over the cell cycle, and in symplastically growing tissue, they vary from cell to cell and strongly depend on the leaf growing zone to which the cells belong. Therefore, we believe that the mechanical signals generated by pressures are important to consider in simulations of tissue growth as possible targets for molecular genetic regulators of individual cell growth. PMID:28018409

  14. Elastoplastic contact mechanics model of rough surface based on fractal theory

    NASA Astrophysics Data System (ADS)

    Yuan, Yuan; Gan, Li; Liu, Kai; Yang, Xiaohui

    2017-01-01

    Because the result of the MB fractal model contradicts with the classical contact mechanics, a revised elastoplastic contact model of a single asperity is developed based on fractal theory. The critical areas of a single asperity are scale dependent, with an increase in the contact load and contact area, a transition from elastic, elastoplastic to full plastic deformation takes place in this order. In considering the size distribution function, analytic expression between the total contact load and the real contact area on the contact surface is obtained. The elastic, elastoplastic and full plastic contact load are obtained by the critical elastic contact area of the biggest asperity and maximun contact area of a single asperity. The results show that a rough surface is firstly in elastic deformation. As the load increases, elastoplastic or full plastic deformation takes place. For constant characteristic length scale G, the slope of load-area relation is proportional to fractal dimension D. For constant fractal dimension D, the slope of load-area relation is inversely proportional to G. For constant D and G, the slope of load-area relation is inversely proportional to property of the material ϕ, namely with the same load, the material of rough surface is softer, and the total contact area is larger. The contact mechanics model provides a foundation for study of the friction, wear and seal performance of rough surfaces.

  15. A model-based decision support system for critiquing mechanical ventilation treatments.

    PubMed

    Tehrani, Fleur T; Abbasi, Soraya

    2012-06-01

    A computerized system for critiquing mechanical ventilation treatments is presented that can be used as an aide to the intensivist. The presented system is based on the physiological model of the subject's respiratory system. It uses modified versions of previously developed models of adult and neonatal respiratory systems to simulate the effects of different ventilator treatments on the patient's blood gases. The physiological models that have been used for research and teaching purposes by many researchers in the field include lungs, body tissue, and the brain tissue. The lung volume is continuously time-varying and the effects of shunt in the lung, changes in cardiac output and cerebral blood flow, and the arterial transport delays are included in the system. Evaluation tests were done on adult and neonate patients with different diagnoses. In both groups combined, the differences between the arterial partial pressures of CO(2) predicted by the system and the experimental values were 1.86 ± 1.6 mmHg (mean ± SD), and the differences between the predicted arterial hemoglobin oxygen saturation values, S(aO2), and the experimental values measured by using pulse oximetry, S(pO2), were 0.032 ± 0.02 (mean ± SD). The proposed system has the potential to be used alone or in combination with other decision support systems to set ventilation parameters and optimize treatment for patients on mechanical ventilation.

  16. Mindfulness-Based Treatment to Prevent Addictive Behavior Relapse: Theoretical Models and Hypothesized Mechanisms of Change

    PubMed Central

    Witkiewitz, Katie; Bowen, Sarah; Harrop, Erin N.; Douglas, Haley; Enkema, Matthew; Sedgwick, Carly

    2017-01-01

    Mindfulness-based treatments are growing in popularity among addiction treatment providers, and several studies suggest the efficacy of incorporating mindfulness practices into the treatment of addiction, including the treatment of substance use disorders and behavioral addictions (i.e., gambling). The current paper provides a review of theoretical models of mindfulness in the treatment of addiction and several hypothesized mechanisms of change. We provide an overview of mindfulness-based relapse prevention (MBRP), including session content, treatment targets, and client feedback from participants who have received MBRP in the context of empirical studies. Future research directions regarding operationalization and measurement, identifying factors that moderate treatment effects, and protocol adaptations for specific populations are discussed. PMID:24611847

  17. Mindfulness-based treatment to prevent addictive behavior relapse: theoretical models and hypothesized mechanisms of change.

    PubMed

    Witkiewitz, Katie; Bowen, Sarah; Harrop, Erin N; Douglas, Haley; Enkema, Matthew; Sedgwick, Carly

    2014-04-01

    Mindfulness-based treatments are growing in popularity among addiction treatment providers, and several studies suggest the efficacy of incorporating mindfulness practices into the treatment of addiction, including the treatment of substance use disorders and behavioral addictions (i.e., gambling). The current paper provides a review of theoretical models of mindfulness in the treatment of addiction and several hypothesized mechanisms of change. We provide an overview of mindfulness-based relapse prevention (MBRP), including session content, treatment targets, and client feedback from participants who have received MBRP in the context of empirical studies. Future research directions regarding operationalization and measurement, identifying factors that moderate treatment effects, and protocol adaptations for specific populations are discussed.

  18. Particle-Based Geometric and Mechanical Modelling of Woven Technical Textiles and Reinforcements for Composites

    NASA Astrophysics Data System (ADS)

    Samadi, Reza

    affecting the textile geometry and constitutive behaviour under evolving loading; 5) validating simulation results with experimental trials; and 6) demonstrating the applicability of the simulation procedure to textile reinforcements featuring large numbers of small fibres as used in PMCs. As a starting point, the effects of reinforcement configuration on the in-plane permeability of textile reinforcements, through-thickness thermal conductivity of PMCs and in-plane stiffness of unidirectional and bidirectional PMCs were quantified systematically and correlated with specific geometric parameters. Variability was quantified for each property at a constant fibre volume fraction. It was observed that variability differed strongly between properties; as such, the simulated behaviour can be related to variability levels seen in experimental measurements. The effects of the geometry of textile reinforcements on the aforementioned processing and performance properties of the textiles and PMCs made from these textiles was demonstrated and validated, but only for simple cases as thorough and credible geometric models were not available at the onset of this work. Outcomes of this work were published in a peer-reviewed journal [101]. Through this thesis it was demonstrated that predicting changes in textile geometry prior and during loading is feasible using the proposed particle-based modelling method. The particle-based modelling method relies on discrete mechanics and offers an alternative to more traditional methods based on continuum mechanics. Specifically it alleviates issues caused by large strains and management of intricate, evolving contact present in finite element simulations. The particle-based modelling method enables credible, intricate modelling of the geometry of textiles at the mesoscopic scale as well as faithful mechanical modelling under load. Changes to textile geometry and configuration due to the normal compaction pressure, stress relaxation, in-plane shear

  19. AUTOPILOT-BT: a system for knowledge and model based mechanical ventilation.

    PubMed

    Lozano, S; Möller, K; Brendle, A; Gottlieb, D; Schumann, S; Stahl, C A; Guttmann, J

    2008-01-01

    A closed-loop system (AUTOPILOT-BT) for the control of mechanical ventilation was designed to: 1) autonomously achieve goals specified by the clinician, 2) optimize the ventilator settings with respect to the underlying disease and 3) automatically adapt to the individual properties and specific disease status of the patient. The current realization focuses on arterial oxygen saturation (SpO(2)), end-tidal CO(2) pressure (P(et)CO(2)), and positive end-expiratory pressure (PEEP) maximizing respiratory system compliance (C(rs)). The "AUTOPILOT-BT" incorporates two different knowledge sources: a fuzzy logic control reflecting expert knowledge and a mathematical model based system that provides individualized patient specific information. A first evaluation test with respect to desired end-tidal-CO(2)-level was accomplished using an experimental setup to simulate three different metabolic CO(2) production rates by means of a physical lung simulator. The outcome of ventilator settings made by the "AUTOPILOT-BT" system was compared to those produced by clinicians. The model based control system proved to be superior to the clinicians as well as to a pure fuzzy logic based control with respect to precision and required settling time into the optimal ventilation state.

  20. Topology evolution model for wireless multi-hop network based on socially inspired mechanism

    NASA Astrophysics Data System (ADS)

    Luo, Xiaojuan; Hu, Yuhen; Zhu, Yu

    2014-12-01

    In this paper, topology evolution problem is addressed for improving the network performance in wireless multi-hop networks. A novel topology model based on social inspired mechanism with energy-aware and local-world features is proposed to handle the time-varying nature of wireless multi-hop network. A series of theoretical analysis and numerical simulation to the social inspired evolution network are conducted. Firstly, the degree distribution of this social inspired model represents a transition between exponential to power-law scaling with increasing the local world scale. Secondly, the clustering coefficient and the average path length decrease sharply as generally local-world scale increases a little. Finally, we found that the robustness and fragility of the proposed network model against random failures and attacks also display a transition between the random and the scale-free ones when the scale of local-world increasing. This local-world social inspired network model can maintain the robustness of scale-free networks and can improve the network reliance against intentional attacks.

  1. Self-healing dynamic bond-based rubbers: understanding the mechanisms in ionomeric elastomer model systems.

    PubMed

    Hohlbein, N; Shaaban, A; Bras, A R; Pyckhout-Hintzen, W; Schmidt, A M

    2015-08-28

    While it is traditionally accepted that the chain interactions responsible for the elastic response in an elastomeric network are ideally permanent and instantaneously active, the ongoing investigation of self-healing materials reveals that the introduction of self-healing properties into elastomers requires high mechanical integrity under dynamic load conditions, while on long timescales (or at extended temperatures), the chain and bond dynamics must allow for an intrinsic repair of micro cracks occurring during operation and aging. Based on an acrylate-based amorphous ionomer model system with pendant carboxylate groups allowing the systematic variation of the composition and the nature of the counter ion, we demonstrate the interrelation between the morphological, thermal, and mechanical properties, and identify the prerequisites and tools for property adjustment and optimization of self-healing efficiency. While the ion fraction is directly related to the effective network density and elastic performance, the crossover frequency between viscous and elastic behavior is influenced by the nature of the counter ion. In order to achieve reliable elastic response and optimal damage repair, the ion fraction in these systems should be in the range of 5 mol% and the chain dynamics should be appropriate to allow for excellent self-healing behavior at moderate healing temperatures.

  2. Thermodynamics-based models for the magneto-mechanical response of magnetic shape memory alloys

    NASA Astrophysics Data System (ADS)

    LaMaster, Douglas H.

    toward this i-direction. The energy required to rotate these magnetization vectors is called the anisotropy energy. Because MSMAs have unusually high anisotropy energy requirements [4, 5], it can become more energetically favorable to reorient variants into ξi and align the magnetic easy axis with the applied magnetic field, rather than to rotate the magnetization vector in the i-direction, toward the hard axis. In this manner, an MSMA can experience the same response to magnetic field as it does to a compressive stress: variant reorientation. As variants reorient, the MSMA will compress in one direction and elongate in another direction, enabling their use as actuators. Additionally, magnetization vectors change direction as they align with the short length of the reorienting variant. As the internal magnetization changes, the MSMA can produce changes in the external magnetic field, which can induce a current within a surrounding coil. Utilizing this can lead to the design of either power harvesters or sensors. This work builds upon that of others, notably that of Kiefer and Lagoudas [6-9], to present several thermodynamic-based continuum models to predict the response of an MSMA to magneto-mechanical loading. The first model is 2D, and allows for any magneto-mechanical loading in two directions. The 2D model includes evolution rules for domain fractions, magnetization vector rotation, and variant reorientation. The next two models are 3D, and include evolution rules for domain wall motion and variant re- orientation. The first 3D model neglects magnetization vector rotation to present a simpler model that is less computationally intensive, while the second 3D model in- cludes all known mechanisms present in the microstructure to give a more generalized and complete model. These models are all more general than any other continuum, thermodynamics-based model in the literature. No other 2D continuum, thermodynamics-based model allows for general 2D magneto-mechanical

  3. Microstructurally based mechanisms for modeling shrinkage of cement paste at multiple levels

    SciTech Connect

    Jennings, H.M.; Xi, Yunping

    1993-07-15

    Shrinkage of cement paste is controlled by a number of mechanisms that operate in various parts of the microstructure and at various length scales. A model for creep and shrinkage can be developed by combining several models that describe phenomena at each of several length scales, ranging from the nanometer to the meter. This model is described and preliminary results are discussed.

  4. Modeling of magneto-mechanical response of magnetorheological elastomers (MRE) and MRE-based systems: a review

    NASA Astrophysics Data System (ADS)

    Asun Cantera, M.; Behrooz, Majid; Gibson, Ronald F.; Gordaninejad, Faramarz

    2017-02-01

    This article is a review of models that capture the magneto-mechanical response of magnetorheological elastomers (MREs) and MRE-based systems. Where available, experimental validations of models are also discussed. The models are categorized as either particle interaction-based, magnetoelastic response-based, magnetoviscoelastic response-based, or models including the effects of environmental conditions and fatigue. Analytical, numerical, finite element, and phenomenological investigations that explore changes in stiffness and damping of anisotropic MREs are reviewed. Phenomenological models of MRE systems used in different applications are also examined.

  5. Quantifying Subpopulation Synergy for Antibiotic Combinations via Mechanism-Based Modeling and a Sequential Dosing Design

    PubMed Central

    Ly, Neang S.; Xu, Hongmei; Tsuji, Brian T.

    2013-01-01

    Quantitative modeling of combination therapy can describe the effects of each antibiotic against multiple bacterial populations. Our aim was to develop an efficient experimental and modeling strategy that evaluates different synergy mechanisms using a rapidly killing peptide antibiotic (nisin) combined with amikacin or linezolid as probe drugs. Serial viable counts over 48 h were obtained in time-kill experiments with all three antibiotics in monotherapy against a methicillin-resistant Staphylococcus aureus USA300 strain (inoculum, 108 CFU/ml). A sequential design (initial dosing of 8 or 32 mg/liter nisin, switched to amikacin or linezolid at 1.5 h) assessed the rate of killing by amikacin and linezolid against nisin-intermediate and nisin-resistant populations. Simultaneous combinations were additionally studied and all viable count profiles comodeled in S-ADAPT and NONMEM. A mechanism-based model with six populations (three for nisin times two for amikacin) yielded unbiased and precise (r = 0.99, slope = 1.00; S-ADAPT) individual fits. The second-order killing rate constants for nisin against the three populations were 5.67, 0.0664, and 0.00691 liter/(mg · h). For amikacin, the maximum killing rate constants were 10.1 h−1 against its susceptible and 0.771 h−1 against its less-susceptible populations, with 14.7 mg/liter amikacin causing half-maximal killing. After incorporating the effects of nisin and amikacin against each population, no additional synergy function was needed. Linezolid inhibited successful bacterial replication but did not efficiently kill populations less susceptible to nisin. Nisin plus amikacin achieved subpopulation synergy. The proposed sequential and simultaneous dosing design offers an efficient approach to quantitatively characterize antibiotic synergy over time and prospectively evaluate antibiotic combination dosing strategies. PMID:23478962

  6. Mechanism-based modeling of functional adaptation upon chronic treatment with midazolam.

    PubMed

    Cleton, A; Odman, J; Van der Graaf, P H; Ghijsen, W; Voskuyl, R; Danhof, M

    2000-03-01

    A mechanism-based model is applied to analyse adaptive changes in the pharmacodynamics of benzodiazepines upon chronic treatment in rats. The pharmacodynamics of midazolam was studied in rats which received a constant rate infusion of the drug for 14 days, resulting in a steady-state concentration of 102 +/- 8 ng x ml(-1). Vehicle treated rats were used as controls. Concentration-EEG effect data were analysed on basis of the operational model of agonism. The results were compared to data obtained in vitro in a brain synaptoneurosomal preparation. The relationship between midazolam concentration and EEG effect was non-linear. In midazolam pre-treated rats the maximum EEG effect was reduced by 51 +/- 23 microV from the original value of 109 +/-15 microV in vehicle treated group. Analysis of this change on basis of the operational model of agonism showed that it can be explained by a change in the parameter tissue maximum (Em) rather than efficacy (tau). In the in vitro studies no changes in density, affinity or functionality of the benzodiazepine receptor were observed. It is concluded that the observed changes in the concentration-EEG effect relationship of midazolam upon chronic treatment are unrelated to changes in benzodiazepine receptor function.

  7. Development of a mechanics-based model of brain deformations during intracerebral hemorrhage evacuation

    NASA Astrophysics Data System (ADS)

    Narasimhan, Saramati; Weis, Jared A.; Godage, Isuru S.; Webster, Robert; Weaver, Kyle; Miga, Michael I.

    2017-03-01

    Intracerebral hemorrhages (ICHs) occur in 24 out of 100,000 people annually and have high morbidity and mortality rates. The standard treatment is conservative. We hypothesize that a patient-specific, mechanical model coupled with a robotic steerable needle, used to aspirate a hematoma, would result in a minimally invasive approach to ICH management that will improve outcomes. As a preliminary study, three realizations of a tissue aspiration framework are explored within the context of a biphasic finite element model based on Biot's consolidation theory. Short-term transient effects were neglected in favor of steady state formulation. The Galerkin Method of Weighted Residuals was used to solve coupled partial differential equations using linear basis functions, and assumptions of plane strain and homogeneous isotropic properties. All aspiration models began with the application of aspiration pressure sink(s), calculated pressures and displacements, and the use of von Mises stresses within a tissue failure criterion. With respect to aspiration strategies, one model employs an element-deletion strategy followed by aspiration redeployment on the remaining grid, while the other approaches use principles of superposition on a fixed grid. While the element-deletion approach had some intuitive appeal, without incorporating a dynamic grid strategy, it evolved into a less realistic result. The superposition strategy overcame this, but would require empirical investigations to determine the optimum distribution of aspiration sinks to match material removal. While each modeling framework demonstrated some promise, the superposition method's ease of computation, ability to incorporate the surgical plan, and better similarity to existing empirical observational data, makes it favorable.

  8. A model of stereocilia adaptation based on single molecule mechanical studies of myosin I.

    PubMed Central

    Batters, Christopher; Wallace, Mark I; Coluccio, Lynne M; Molloy, Justin E

    2004-01-01

    We have used an optical tweezers-based apparatus to perform single molecule mechanical experiments using the unconventional myosins, Myo1b and Myo1c. The single-headed nature and slow ATPase kinetics of these myosins make them ideal for detailed studies of the molecular mechanism of force generation by acto-myosin. Myo1c exhibits several features that have not been seen using fast skeletal muscle myosin II. (i) The working stroke occurs in two, distinct phases, producing an initial 3 nm and then a further 1.5 nm of movement. (ii) Two types of binding interaction were observed: short-lived ATP-independent binding events that produced no movement and longer-lived, ATP-dependent events that produced a full working stroke. The stiffness of both types of interaction was similar. (iii) In a new type of experiment, using feedback to apply controlled displacements to a single acto-myosin cross-bridge, we found abrupt changes in force during attachment of the acto-Myo1b cross-bridge, a result that is consistent with the classical 'T2' behaviour of single muscle fibres. Given that these myosins might exhibit the classical T2 behaviour, we propose a new model to explain the slow phase of sensory adaptation of the hair cells of the inner ear. PMID:15647165

  9. Volcanic plume height measured by seismic waves based on a mechanical model

    NASA Astrophysics Data System (ADS)

    Prejean, Stephanie G.; Brodsky, Emily E.

    2011-01-01

    In August 2008 an unmonitored, largely unstudied Aleutian volcano, Kasatochi, erupted catastrophically. Here we use seismic data to infer the height of large eruptive columns such as those of Kasatochi based on a combination of existing fluid and solid mechanical models. In so doing, we propose a connection between a common, observable, short-period seismic wave amplitude to the physics of an eruptive column. To construct a combined model, we estimate the mass ejection rate of material from the vent on the basis of the plume height, assuming that the height is controlled by thermal buoyancy for a continuous plume. Using the estimated mass ejection rate, we then derive the equivalent vertical force on the Earth through a momentum balance. Finally, we calculate the far-field surface waves resulting from the vertical force. The model performs well for recent eruptions of Kasatochi and Augustine volcanoes if v, the velocity of material exiting the vent, is 120-230 m s-1. The consistency between the seismically inferred and measured plume heights indicates that in these cases the far-field ˜1 s seismic energy radiated by fluctuating flow in the volcanic jet during the eruption is a useful indicator of overall mass ejection rates. Thus, use of the model holds promise for characterizing eruptions and evaluating ash hazards to aircraft in real time on the basis of far-field short-period seismic data. This study emphasizes the need for better measurements of eruptive plume heights and a more detailed understanding of the full spectrum of seismic energy radiated coeruptively.

  10. Volcanic plume height measured by seismic waves based on a mechanical model

    USGS Publications Warehouse

    Prejean, Stephanie G.; Brodsky, Emily E.

    2011-01-01

    In August 2008 an unmonitored, largely unstudied Aleutian volcano, Kasatochi, erupted catastrophically. Here we use seismic data to infer the height of large eruptive columns such as those of Kasatochi based on a combination of existing fluid and solid mechanical models. In so doing, we propose a connection between a common, observable, short-period seismic wave amplitude to the physics of an eruptive column. To construct a combined model, we estimate the mass ejection rate of material from the vent on the basis of the plume height, assuming that the height is controlled by thermal buoyancy for a continuous plume. Using the estimated mass ejection rate, we then derive the equivalent vertical force on the Earth through a momentum balance. Finally, we calculate the far-field surface waves resulting from the vertical force. The model performs well for recent eruptions of Kasatochi and Augustine volcanoes if v, the velocity of material exiting the vent, is 120-230 m s-1. The consistency between the seismically inferred and measured plume heights indicates that in these cases the far-field ~1 s seismic energy radiated by fluctuating flow in the volcanic jet during the eruption is a useful indicator of overall mass ejection rates. Thus, use of the model holds promise for characterizing eruptions and evaluating ash hazards to aircraft in real time on the basis of far-field short-period seismic data. This study emphasizes the need for better measurements of eruptive plume heights and a more detailed understanding of the full spectrum of seismic energy radiated coeruptively.

  11. A model of task-deletion mechanism based on the priority queueing system of Barabási

    NASA Astrophysics Data System (ADS)

    Zhou, Bin; Xie, Jia-Rong; Yan, Xiao-Yong; Wang, Nianxin; Wang, Bing-Hong

    2017-01-01

    In this paper, we propose a model of task-deletion mechanism based on the priority queueing system of Barabási (2005) to deep research the pattern diversity of human behaviors. The analytical solution for our model with two tasks is presented. In different cases of the parameter of task-deletion, our model can produce rich statistical behavior patterns, which are consistent with lots of empirical studies. Therefore, the model can theoretically explain more human behavior phenomena than the model of Barabási. These results have important significance for understanding the mechanism of pattern diversity of human behaviors.

  12. Mechanical characterization and modelling of Lorentz force based MEMS magnetic field sensors

    NASA Astrophysics Data System (ADS)

    Gkotsis, P.; Lara-Castro, M.; López-Huerta, F.; Herrera-May, A. L.; Raskin, J.-P.

    2015-10-01

    In this work we present experimental results from dynamic and static tests on miniature magnetic field sensors which are based on Micro Electro Mechanical Systems (MEMS) technologies. These MEMS magnetometers were fabricated on SOI wafers using Si bulk micromachining techniques and they operate at the first resonant frequency under the action of the Lorentz force which arises when a current flows through them in the presence of an external magnetic field. Sensing is based on piezoresistive principles and high sensitivity is expected from devices that show high total quality factors Qtot. We investigate here the energy loss mechanisms and the temperature rise due to Joule heating effects in the resonators of the magnetometers by performing tests both in air and under vacuum conditions. Testing was performed using laser Doppler Vibrometry and white light interferometry. At each pressure different driving currents have been applied and Qtot was extracted. It is found that Qtot varies with pressure between two limiting values: a low one in air which was between 17 and 500 for the tested devices and a high one in vacuum which in the case of one of our devices was equal to 2800. The amplitude of the applied current is also affecting the Q value at a certain pressure due to the rise of thermal stress in the resonating structures. The sensitivity of the sensors in air was experimentally measured using a Helmholtz coil and an oscilloscope and values between 72 mV T-1 and 513 mV T-1 were obtained from the tested devices. We further attempt to estimate the temperature rise in the devices due to Joule heating effects by combining the topography scans which were experimentally obtained with results from thermomechanical analysis of the sensors using Finite Element Modelling.

  13. [Research on monitoring mechanical wear state based on oil spectrum multi-dimensional time series model].

    PubMed

    Xu, Chao; Zhang, Pei-lin; Ren, Guo-quan; Li, Bing; Yang, Ning

    2010-11-01

    A new method using oil atomic spectrometric analysis technology to monitor the mechanical wear state was proposed. Multi-dimensional time series model of oil atomic spectrometric data of running-in period was treated as the standard model. Residues remained after new data were processed by the standard model. The residues variance matrix was selected as the features of the corresponding wear state. Then, high dimensional feature vectors were reduced through the principal component analysis and the first three principal components were extracted to represent the wear state. Euclidean distance was computed for feature vectors to classify the testing samples. Thus, the mechanical wear state was identified correctly. The wear state of a specified track vehicle engine was effectively identified, which verified the validity of the proposed method. Experimental results showed that introducing the multi-dimensional time series model to oil spectrometric analysis can fuse the spectrum data and improve the accuracy of monitoring mechanical wear state.

  14. Experimental Investigation of the Anisotropic Mechanical Properties of a Columnar Jointed Rock Mass: Observations from Laboratory-Based Physical Modelling

    NASA Astrophysics Data System (ADS)

    Ji, H.; Zhang, J. C.; Xu, W. Y.; Wang, R. B.; Wang, H. L.; Yan, L.; Lin, Z. N.

    2017-07-01

    Because of the complex geological structure, determination of the field mechanical parameters of the columnar jointed rock mass (CJRM) was a challenging task in the design and construction of the Baihetan hydropower plant. To model the mechanical behaviour of the CJRM, uniaxial compression tests were conducted on artificial CJRM specimens with geological structure similar to that found in the actual CJRM. Based on the test results, the anisotropic deformation and strength were mainly analysed. The empirical correlations of evaluating the field mechanical parameters were derived based on the joint factor approach and the modulus reduction factor method. The findings of the physical model tests were then used to estimate the field moduli and unconfined compressive strengths of the Baihetan CJRM. The results predicted by physical model tests were compared with those obtained from the field tests and the RMR classification system. It is concluded that physical model tests were capable of providing valuable estimations on the field mechanical parameters of the CJRM.

  15. Experimental and modeling study on charge storage/transfer mechanism of graphene-based supercapacitors

    NASA Astrophysics Data System (ADS)

    Ban, Shuai; Jing, Xie; Zhou, Hongjun; Zhang, Lei; Zhang, Jiujun

    2014-12-01

    A symmetrical graphene-based supercapacitor is constructed for studying the charge-transfer mechanism within the graphene-based electrodes using both experiment measurements and molecular simulation. The in-house synthesized graphene is characterized by XRD, SEM and BET measurements for morphology and surface area. It is observed that the electric capacity of graphene electrode can be reduced by both high internal resistance and limited mass transfer. Computer modeling is conducted at the molecular level to characterize the diffusion behavior of electrolyte ions to the interior of electrode with emphasis on the unique 2D confinement imposed by graphene layers. Although graphene powder poses a moderate internal surface of 400 m2 g-1, the capacitance performance of graphene electrode can be as good as that of commercial activated carbon which has an overwhelming surface area of 1700 m2 g-1. An explanation to this abnormal correlation is that graphene material has an intrinsic capability of adaptively reorganizing its microporous structure in response to intercalation of ions and immergence of electrolyte solvent. The accessible surface of graphene is believed to be dramatically enlarged for ion adsorption during the charging process of capacitor.

  16. Mechanical responses of the periodontal ligament based on an exponential hyperelastic model: a combined experimental and finite element method.

    PubMed

    Huang, Huixiang; Tang, Wencheng; Yan, Bin; Wu, Bin; Cao, Dan

    2016-01-01

    The V-W exponential hyperelastic model is adopted to describe the instantaneous elastic response of the periodontal ligament (PDL). The general theoretical framework of constitutive modeling is described based on nonlinear continuum mechanics, and the elasticity tensor used to develop UMAT subroutine is formulated. Nanoindentation experiment is performed to characterize mechanical properties of an adult pig PDL specimen. Then the experiment is simulated by using the finite element (FE) analysis. Meanwhile, the optimized material parameters are identified by the inverse FE method. The good agreement between the simulated results and experimental data demonstrates that the V-W model is capable of describing the mechanical behavior of the PDL. Therefore, the model and its implementation into FE code are validated. By using the model, we simulate the tooth movement under orthodontic loading to predict the mechanical responses of the PDL. The results show that local concentrations of stress and strain in the PDL are found.

  17. Fracture-Based Mesh Size Requirements for Matrix Cracks in Continuum Damage Mechanics Models

    NASA Technical Reports Server (NTRS)

    Leone, Frank A.; Davila, Carlos G.; Mabson, Gerald E.; Ramnath, Madhavadas; Hyder, Imran

    2017-01-01

    This paper evaluates the ability of progressive damage analysis (PDA) finite element (FE) models to predict transverse matrix cracks in unidirectional composites. The results of the analyses are compared to closed-form linear elastic fracture mechanics (LEFM) solutions. Matrix cracks in fiber-reinforced composite materials subjected to mode I and mode II loading are studied using continuum damage mechanics and zero-thickness cohesive zone modeling approaches. The FE models used in this study are built parametrically so as to investigate several model input variables and the limits associated with matching the upper-bound LEFM solutions. Specifically, the sensitivity of the PDA FE model results to changes in strength and element size are investigated.

  18. Towards a physics-based multiscale modelling of the electro-mechanical coupling in electro-active polymers

    PubMed Central

    Menzel, Andreas; deBotton, Gal

    2016-01-01

    Owing to the increasing number of industrial applications of electro-active polymers (EAPs), there is a growing need for electromechanical models which accurately capture their behaviour. To this end, we compare the predicted behaviour of EAPs undergoing homogeneous deformations according to three electromechanical models. The first model is a phenomenological continuum-based model composed of the mechanical Gent model and a linear relationship between the electric field and the polarization. The electrical and the mechanical responses according to the second model are based on the physical structure of the polymer chain network. The third model incorporates a neo-Hookean mechanical response and a physically motivated microstructurally based long-chains model for the electrical behaviour. In the microstructural-motivated models, the integration from the microscopic to the macroscopic levels is accomplished by the micro-sphere technique. Four types of homogeneous boundary conditions are considered and the behaviours determined according to the three models are compared. For the microstructurally motivated models, these analyses are performed and compared with the widely used phenomenological model for the first time. Some of the aspects revealed in this investigation, such as the dependence of the intensity of the polarization field on the deformation, highlight the need for an in-depth investigation of the relationships between the structure and the behaviours of the EAPs at the microscopic level and their overall macroscopic response. PMID:27118885

  19. Towards a physics-based multiscale modelling of the electro-mechanical coupling in electro-active polymers.

    PubMed

    Cohen, Noy; Menzel, Andreas; deBotton, Gal

    2016-02-01

    Owing to the increasing number of industrial applications of electro-active polymers (EAPs), there is a growing need for electromechanical models which accurately capture their behaviour. To this end, we compare the predicted behaviour of EAPs undergoing homogeneous deformations according to three electromechanical models. The first model is a phenomenological continuum-based model composed of the mechanical Gent model and a linear relationship between the electric field and the polarization. The electrical and the mechanical responses according to the second model are based on the physical structure of the polymer chain network. The third model incorporates a neo-Hookean mechanical response and a physically motivated microstructurally based long-chains model for the electrical behaviour. In the microstructural-motivated models, the integration from the microscopic to the macroscopic levels is accomplished by the micro-sphere technique. Four types of homogeneous boundary conditions are considered and the behaviours determined according to the three models are compared. For the microstructurally motivated models, these analyses are performed and compared with the widely used phenomenological model for the first time. Some of the aspects revealed in this investigation, such as the dependence of the intensity of the polarization field on the deformation, highlight the need for an in-depth investigation of the relationships between the structure and the behaviours of the EAPs at the microscopic level and their overall macroscopic response.

  20. Toward modular biological models: defining analog modules based on referent physiological mechanisms

    PubMed Central

    2014-01-01

    Background Currently, most biomedical models exist in isolation. It is often difficult to reuse or integrate models or their components, in part because they are not modular. Modular components allow the modeler to think more deeply about the role of the model and to more completely address a modeling project’s requirements. In particular, modularity facilitates component reuse and model integration for models with different use cases, including the ability to exchange modules during or between simulations. The heterogeneous nature of biology and vast range of wet-lab experimental platforms call for modular models designed to satisfy a variety of use cases. We argue that software analogs of biological mechanisms are reasonable candidates for modularization. Biomimetic software mechanisms comprised of physiomimetic mechanism modules offer benefits that are unique or especially important to multi-scale, biomedical modeling and simulation. Results We present a general, scientific method of modularizing mechanisms into reusable software components that we call physiomimetic mechanism modules (PMMs). PMMs utilize parametric containers that partition and expose state information into physiologically meaningful groupings. To demonstrate, we modularize four pharmacodynamic response mechanisms adapted from an in silico liver (ISL). We verified the modularization process by showing that drug clearance results from in silico experiments are identical before and after modularization. The modularized ISL achieves validation targets drawn from propranolol outflow profile data. In addition, an in silico hepatocyte culture (ISHC) is created. The ISHC uses the same PMMs and required no refactoring. The ISHC achieves validation targets drawn from propranolol intrinsic clearance data exhibiting considerable between-lab variability. The data used as validation targets for PMMs originate from both in vitro to in vivo experiments exhibiting large fold differences in time scale

  1. A multi-scale continuum model of skeletal muscle mechanics predicting force enhancement based on actin-titin interaction.

    PubMed

    Heidlauf, Thomas; Klotz, Thomas; Rode, Christian; Altan, Ekin; Bleiler, Christian; Siebert, Tobias; Röhrle, Oliver

    2016-12-01

    Although recent research emphasises the possible role of titin in skeletal muscle force enhancement, this property is commonly ignored in current computational models. This work presents the first biophysically based continuum-mechanical model of skeletal muscle that considers, in addition to actin-myosin interactions, force enhancement based on actin-titin interactions. During activation, titin attaches to actin filaments, which results in a significant reduction in titin's free molecular spring length and therefore results in increased titin forces during a subsequent stretch. The mechanical behaviour of titin is included on the microscopic half-sarcomere level of a multi-scale chemo-electro-mechanical muscle model, which is based on the classic sliding-filament and cross-bridge theories. In addition to titin stress contributions in the muscle fibre direction, the continuum-mechanical constitutive relation accounts for geometrically motivated, titin-induced stresses acting in the muscle's cross-fibre directions. Representative simulations of active stretches under maximal and submaximal activation levels predict realistic magnitudes of force enhancement in fibre direction. For example, stretching the model by 20 % from optimal length increased the isometric force at the target length by about 30 %. Predicted titin-induced stresses in the muscle's cross-fibre directions are rather insignificant. Including the presented development in future continuum-mechanical models of muscle function in dynamic situations will lead to more accurate model predictions during and after lengthening contractions.

  2. Evaluation of the mechanical efficiency of knee braces based on computational modeling.

    PubMed

    Pierrat, Baptiste; Molimard, Jérôme; Navarro, Laurent; Avril, Stéphane; Calmels, Paul

    2015-01-01

    Knee orthotic devices are commonly prescribed by physicians and medical practitioners for preventive or therapeutic purposes on account of their claimed effect: joint stabilisation and proprioceptive input. However, the force transfer mechanisms of these devices and their level of action remain controversial. The objectives of this work are to characterise the mechanical performance of conventional knee braces regarding their anti-drawer effect using a finite element model of a braced lower limb. A design of experiment approach was used to quantify meaningful mechanical parameters related to the efficiency and discomfort tolerance of braces. Results show that the best tradeoff between efficiency and discomfort tolerance is obtained by adjusting the brace length or the strap tightening. Thanks to this computational analysis, novel brace designs can be evaluated for an optimal mechanical efficiency and a better compliance of the patient with the treatment.

  3. Multi-scale modeling of soft fibrous tissues based on proteoglycan mechanics.

    PubMed

    Linka, Kevin; Khiêm, Vu Ngoc; Itskov, Mikhail

    2016-08-16

    Collagen in the form of fibers or fibrils is an essential source of strength and structural integrity in most organs of the human body. Recently, with the help of complex experimental setups, a paradigm change concerning the mechanical contribution of proteoglycans (PGs) took place. Accordingly, PG connections protect the surrounding collagen fibrils from over-stretching rather than transmitting load between them. In this paper, we describe the reported PG mechanics and incorporate it into a multi-scale model of soft fibrous tissues. To this end, a nano-to-micro model of a single collagen fiber is developed by taking the entropic-energetic transition on the collagen molecule level into account. The microscopic damage occurring inside the collagen fiber is elucidated by sliding of PGs as well as by over-stretched collagen molecules. Predictions of this two-constituent-damage model are compared to experimental data available in the literature.

  4. Analysis of the twin spacing and grain size effects on mechanical properties in hierarchically nanotwinned face-centered cubic metals based on a mechanism-based plasticity model

    NASA Astrophysics Data System (ADS)

    Zhu, Linli; Qu, Shaoxing; Guo, Xiang; Lu, Jian

    2015-03-01

    Hierarchical twin lamellae in polycrystalline face-centered cubic (fcc) metals possess a possibility to achieve higher strength with keeping an acceptable elongation. The present work is concerned with the analysis of twin spacing and grain size-dependent plastic performance in hierarchically nanotwinned fcc metals using a generalized strain-gradient plasticity model. The dislocation density-based physical model for constitutive description of nanotwinned fcc metals is expanded for the hierarchical structures of nanotwins. The strengthening mechanism and the failure behavior in these hierarchical nanostructures are studied to evaluate the strength and ductility. Moreover, the transition twin spacing between the strengthening and softening is obtained in different order of twin lamellae. A dislocation-based model on nucleating deformation twins is presented to predict the critical twin spacing in the lowest twin lamellae for generating the subordinate twin lamellae. Our simulation results demonstrate that the existence of the hierarchical nanotwins gives rise to a significant enhancement in the strength, and the resulting global flow stresses are sensitive to the twin spacings of the hierarchical twin lamellae and the grain size. Two softening stages are observed with variation of twin spacing, and the relevant transition twin spacing depends on the microstructural size in hierarchically nanotwinned metals. We further find that the predicted failure strain decreases with decreasing the twin spacing, which is quite different from the case of the individually nanotwinned fcc metals. The critical twin spacing for generating subordinate twins also depends on the twin spacing of superordinate twin lamellae and the grain size. These findings suggest that the high yield strength and good ductility can be achieved by optimizing the grain size and the twin spacings in the hierarchical twins.

  5. Escherichia coli removal from model substrates: Underlying mechanism based on nanofluid structural forces.

    PubMed

    Shim, Jiyoung; Nikolov, Alex; Wasan, Darsh

    2017-07-15

    Understanding the interactions between bacteria and solid surfaces that result in bacterial adhesion and removal is of immense importance for reducing foodborne illness outbreaks. A nanofluid formulation comprised of a sodium dodecyl sulfate (SDS) micellar aqueous solution in the presence of an organic acid (as a pH controller) was used to test the E. coli K12 removal from two substrates, polyvinylchloride (PVC) and partially hydrophobic glass. We investigated the bacterial removal efficacy based on the combined effect of the nanofluid's structural forces and bacterial isoelectric point. To quantify the bacteria-PVC coverage, we used fluorescence microscope. The Langmuir isotherm at the low volume fraction was applied to estimate the adsorption energy of E. coli K12. We obtained a value of about 2.5±0.2kT. This value compared favorably with the value of 2.1kT reported previously for E. coli NCTC 9002 (Vanloosdrecht et al., 1989). We applied the dynamic light scattering method to estimate the radius of the gyration of E. coli K12. The radius of the gyration was used to estimate the limit of surface area covered by the bacterium and compared it to the surface area measured from the image taken with fluorescence microscope. We found that they are in good agreement with each other. We modeled the nanofluid oscillatory structural energy against the E. coli K12 adsorption energy by applying the statistical mechanics approach. Based on the model prediction, the oscillatory interaction energy was estimated at the vertex between a bacterium and the substrate (i.e., the wedge film's interaction energy at one particle layer). The evaluated film's repulsive energy due to the oscillatory structural forces (OSF) was about 15.6±4.4kT of the 0.02M SMNF (the SDS micellar nanofluid formulation) and several times higher than the bacterial adsorption energy, 2.5±0.2kT. The OSF of the 0.06M SMNF was measured by AFM (the oscillatory decay force curve). The period and number of

  6. Model-based control of mechanical ventilation: design and clinical validation.

    PubMed

    Martinoni, E P; Pfister, Ch A; Stadler, K S; Schumacher, P M; Leibundgut, D; Bouillon, T; Böhlen, T; Zbinden, A M

    2004-06-01

    We developed a model-based control system using end-tidal carbon dioxide fraction (FE'(CO(2))) to adjust a ventilator during clinical anaesthesia. We studied 16 ASA I-II patients (mean age 38 (range 20-59) yr; weight 67 (54-87) kg) during i.v. anaesthesia for elective surgery. After periods of normal ventilation the patients were either hyper- or hypoventilated to assess precision and dynamic behaviour of the control system. These data were compared with a previous group where a fuzzy-logic controller had been used. Responses to different clinical events (invalid carbon dioxide measurement, limb tourniquet release, tube cuff leak, exhaustion of carbon dioxide absorbent, simulation of pulmonary embolism) were also noted. The model-based controller correctly maintained the setpoint. No significant difference was found for the static performance between the two controllers. The dynamic response of the model-based controller was more rapid (P<0.05). The mean rise time after a setpoint increase of 1 vol% was 313 (sd 90) s and 142 (17) s for fuzzy-logic and model-based control, respectively, and after a 1 vol% decrease was 355 (127) s and 177 (36) s, respectively. The new model-based controller had a consistent response to clinical artefacts. A model-based FE'(CO(2)) controller can be used in a clinical setting. It reacts appropriately to artefacts, and has a better dynamic response to setpoint changes than a previously described fuzzy-logic controller.

  7. Design and dynamic modeling of a 2-DOF decoupled flexure-based mechanism

    NASA Astrophysics Data System (ADS)

    Qin, Yanding; Tian, Yanling; Zhang, Dawei

    2012-07-01

    Flexure mechanisms with decoupled characteristics have been widely utilized in precision positioning applications. However, these mechanisms suffer from either slow response or low load capability. Furthermore, asymmetric design always leads to thermal error. In order to solve these issues, a novel 2-DOF decoupled mechanism is developed by monolithically manufacturing sets of statically indeterminate symmetric (SIS) flexure structures in parallel. Symmetric design helps to eliminate the thermal error and Finite Element Analysis (FEA) results show that the maximum coupling ratio between X and Y axes is below 0.25% when a maximum pretension force of 200 N is applied. By ignoring the mass effect, all the SIS flexure structures are simplified to "spring-damper" components, from which the static and dynamics model are derived. The relation between the first resonant frequency of the mechanism and the load is investigated by incorporating the load mass into the proposed dynamics model. Analytical results show that even with a load of 0.5 kg, the first resonant frequency is still higher than 300 Hz, indicating a high load capability. The mechanism's static and dynamic performances are experimentally examined. The linear stiffnesses of the mechanism at the working platform and at the driving point are measured to be 3.563 0 N·μm-1 and 3.362 1 N·μm-1, respectively. The corresponding estimation values from analytical models are 3.405 7 N·μm-1 and 3.381 7 N·μm-1, which correspond to estimation errors of -4.41% and 0.6%, respectively. With an additional load of 0.16 kg, the measured and estimated first resonant frequencies are 362 Hz and 365 Hz, respectively. The estimation error is only 0.55%. The analytical and experimental results show that the developed mechanism has good performances in both decoupling ability and load capability; its static and dynamic performance can be precisely estimated from corresponding analytical models. The proposed mechanism has wide

  8. A Modified Wilson Cycle Scenario Based on Thermo-Mechanical Model

    NASA Astrophysics Data System (ADS)

    Baes, M.; Sobolev, S. V.

    2014-12-01

    The major problem of classical Wilson Cycle concept is the suggested conversion of the passive continental margin to the active subduction zone. Previous modeling studies assumed either unusually thick felsic continental crust at the margin (over 40 km) or unusually low lithospheric thickness (less than 70 km) to simulate this process. Here we propose a new triggering factor in subduction initiation process that is mantle suction force. Based on this proposal we suggest a modification of Wilson Cycle concept. Sometime after opening and extension of oceanic basin, continental passive margin moves over the slab remnants of the former active subduction zones in deep mantle. Such slab remnants or deep slabs of neighboring active subduction zones produce a suction mantle flow introducing additional compression at the passive margin. It results in the initiation of a new subduction zone, hence starting the closing phase of Wilson Cycle. In this scenario the weakness of continental crust near the passive margin which is inherited from the rifting phase and horizontal push force induced from far-field topographic gradient within the continent facilitate and speed up subduction initiation process. Our thermo-mechanical modeling shows that after a few tens of million years a shear zone may indeed develop along the passive margin that has typical two-layered 35 km thick continental crust and thermal lithosphere thicker than 100 km if there is a broad mantle down-welling flow below the margin. Soon after formation of this shear zone oceanic plate descends into mantle and subduction initiates. Subduction initiation occurs following over-thrusting of continental crust and retreating of future trench. In models without far-field topographic gradient within the continent subduction initiation requires weaker passive margin. Our results also indicate that subduction initiation depends on several parameters such as magnitude, domain size and location of suction mantle flow

  9. Model-based analysis of the effect of different operating conditions on fouling mechanisms in a membrane bioreactor.

    PubMed

    Sabia, Gianpaolo; Ferraris, Marco; Spagni, Alessandro

    2016-01-01

    This study proposes a model-based evaluation of the effect of different operating conditions with and without pre-denitrification treatment and applying three different solids retention times on the fouling mechanisms involved in membrane bioreactors (MBRs). A total of 11 fouling models obtained from literature were used to fit the transmembrane pressure variations measured in a pilot-scale MBR treating real wastewater for more than 1 year. The results showed that all the models represent reasonable descriptions of the fouling processes in the MBR tested. The model-based analysis confirmed that membrane fouling started by pore blocking (complete blocking model) and by a reduction of the pore diameter (standard blocking) while cake filtration became the dominant fouling mechanism over long-term operation. However, the different fouling mechanisms occurred almost simultaneously making it rather difficult to identify each one. The membrane "history" (i.e. age, lifespan, etc.) seems the most important factor affecting the fouling mechanism more than the applied operating conditions. Nonlinear regression of the most complex models (combined models) evaluated in this study sometimes demonstrated unreliable parameter estimates suggesting that the four basic fouling models (complete, standard, intermediate blocking and cake filtration) contain enough details to represent a reasonable description of the main fouling processes occurring in MBRs.

  10. The Mechanisms for Within-Host Influenza Virus Control Affect Model-Based Assessment and Prediction of Antiviral Treatment.

    PubMed

    Cao, Pengxing; McCaw, James M

    2017-07-26

    Models of within-host influenza viral dynamics have contributed to an improved understanding of viral dynamics and antiviral effects over the past decade. Existing models can be classified into two broad types based on the mechanism of viral control: models utilising target cell depletion to limit the progress of infection and models which rely on timely activation of innate and adaptive immune responses to control the infection. In this paper, we compare how two exemplar models based on these different mechanisms behave and investigate how the mechanistic difference affects the assessment and prediction of antiviral treatment. We find that the assumed mechanism for viral control strongly influences the predicted outcomes of treatment. Furthermore, we observe that for the target cell-limited model the assumed drug efficacy strongly influences the predicted treatment outcomes. The area under the viral load curve is identified as the most reliable predictor of drug efficacy, and is robust to model selection. Moreover, with support from previous clinical studies, we suggest that the target cell-limited model is more suitable for modelling in vitro assays or infection in some immunocompromised/immunosuppressed patients while the immune response model is preferred for predicting the infection/antiviral effect in immunocompetent animals/patients.

  11. A meshfree method based on the peridynamic model of solid mechanics.

    SciTech Connect

    Silling, Stewart Andrew; Askari, Ebrahim

    2005-01-01

    An alternative theory of solid mechanics, known as the peridynamic theory, formulates problems in terms of integral equations rather than partial differential equations. This theory assumes that particles in a continuum interact with each other across a finite distance, as in molecular dynamics. Damage is incorporated in the theory at the level of these two-particle interactions, so localization and fracture occur as a natural outgrowth of the equation of motion and constitutive models. A numerical method for solving dynamic problems within the peridynamic theory is described. Accuracy and numerical stability are discussed. Examples illustrate the properties of the method for modeling brittle dynamic crack growth.

  12. [Study of mechanical effects of the EVA glove on finger base with finite element modeling].

    PubMed

    Li, Zhuoyou; Ding, Li; Yue, Guodong

    2013-08-01

    The hand strength of astronauts, when they are outside the space capsule, is highly influenced by the residual pressure (the pressure difference between inside pressure and outside one of the suit) of extravehicular activity spacesuit glove and the pressure exerted by braided fabric. The hand strength decreases significantly on extravehicular activity, severely reducing the operation efficiency. To measure mechanical influence caused by spacesuit glove on muscle-tendon and joints, the present paper analyzes the movement anatomy and biomechanical characteristics of gripping, and then proposes a grip model. With phalangeal joint simplified as hinges, seven muscles as a finger grip energy unit, the Hill muscle model was used to compute the effects. We also used ANSYS in this study to establish a 3-D finite element model of an index finger which included both bones and muscles with glove, and then we verified the model. This model was applied to calculate the muscle stress in various situations of bare hands or hands wearing gloves in three different sizes. The results showed that in order to achieve normal grip strength with the influence caused by superfluous press, the finger's muscle stress should be increased to 5.4 times of that in normal situation, with most of the finger grip strength used to overcome the influence of superfluous pressure. When the gap between the finger surface and the glove is smaller, the mechanical influence which superfluous press made will decrease. The results would provide a theoretical basis for the design of the EVA Glove.

  13. Mathematical modeling of PDC bit drilling process based on a single-cutter mechanics

    SciTech Connect

    Wojtanowicz, A.K.; Kuru, E.

    1993-12-01

    An analytical development of a new mechanistic drilling model for polycrystalline diamond compact (PDC) bits is presented. The derivation accounts for static balance of forces acting on a single PDC cutter and is based on assumed similarity between bit and cutter. The model is fully explicit with physical meanings given to all constants and functions. Three equations constitute the mathematical model: torque, drilling rate, and bit life. The equations comprise cutter`s geometry, rock properties drilling parameters, and four empirical constants. The constants are used to match the model to a PDC drilling process. Also presented are qualitative and predictive verifications of the model. Qualitative verification shows that the model`s response to drilling process variables is similar to the behavior of full-size PDC bits. However, accuracy of the model`s predictions of PDC bit performance is limited primarily by imprecision of bit-dull evaluation. The verification study is based upon the reported laboratory drilling and field drilling tests as well as field data collected by the authors.

  14. Use of agent-based modeling to explore the mechanisms of intracellular phosphorus heterogeneity in cultured phytoplankton.

    PubMed

    Fredrick, Neil D; Berges, John A; Twining, Benjamin S; Nuñez-Milland, Daliangelis; Hellweger, Ferdi L

    2013-07-01

    There can be significant intraspecific individual-level heterogeneity in the intracellular P of phytoplankton, which can affect the population-level growth rate. Several mechanisms can create this heterogeneity, including phenotypic variability in various physiological functions (e.g., nutrient uptake rate). Here, we use modeling to explore the contribution of various mechanisms to the heterogeneity in phytoplankton grown in a laboratory culture. An agent-based model simulates individual cells and their intracellular P. Heterogeneity is introduced by randomizing parameters (e.g., maximum uptake rate) of daughter cells at division. The model was calibrated to observations of the P quota of individual cells of the centric diatom Thalassiosira pseudonana, which were obtained using synchrotron X-ray fluorescence (SXRF). A number of simulations, with individual mechanisms of heterogeneity turned off, then were performed. Comparison of the coefficient of variation (CV) of these and the baseline simulation (i.e., all mechanisms turned on) provides an estimate of the relative contribution of these mechanisms. The results show that the mechanism with the largest contribution to variability is the parameter characterizing the maximum intracellular P, which, when removed, results in a CV of 0.21 compared to a CV of 0.37 with all mechanisms turned on. This suggests that nutrient/element storage capabilities/mechanisms are important determinants of intrapopulation heterogeneity.

  15. A mathematical description of a growing cell colony based on the mechanical bidomain model

    NASA Astrophysics Data System (ADS)

    Auddya, Debabrata; Roth, Bradley J.

    2017-03-01

    The mechanical bidomain model is used to describe a colony of cells growing on a substrate. Analytical expressions are derived for the intracellular and extracellular displacements. Mechanotransduction events are driven by the difference between the displacements in the two spaces, corresponding to the force acting on integrins. The equation for the displacement consists of two terms: one proportional to the radius that is the same in the intracellular and extracellular spaces (the monodomain term) and one that is proportional to a modified Bessel function that is responsible for mechanotransduction (the bidomain term). The model predicts that mechanotransduction occurs within a few length constants of the colony’s edge, and an expression for the length constant contains the intracellular and extracellular shear moduli and the spring constant of the integrins coupling the two spaces. The model predictions are qualitatively consistent with experiments on human embryonic stem cell colonies, in which differentiation is localized near the edge.

  16. Ubiquity: a framework for physiological/mechanism-based pharmacokinetic/pharmacodynamic model development and deployment.

    PubMed

    Harrold, John M; Abraham, Anson K

    2014-04-01

    Practitioners of pharmacokinetic/pharmacodynamic modeling routinely employ various software packages that enable them to fit differential equation based mechanistic or empirical models to biological/pharmacological data. The availability and choice of different analytical tools, while enabling, can also pose a significant challenge in terms of both, implementation and transferability. A package has been developed that addresses these issues by creating a simple text-based format, which provides methods to reduce coding complexity and enables the modeler to describe the components of the model based on the underlying physiochemical processes. A Perl script builds the system for multiple formats (ADAPT, MATLAB, Berkeley Madonna, etc.), enabling analysis across several software packages and reducing the chance for transcription error. Workflows can then be built around this package, which can increase efficiency and model availability. As a proof of concept, tools are included that allow models constructed in this format to be run with MATLAB both at the scripting level and through a generic graphical application that can be compiled and run as a stand-alone application.

  17. Regulation of amniotic fluid volume: mathematical model based on intramembranous transport mechanisms.

    PubMed

    Brace, Robert A; Anderson, Debra F; Cheung, Cecilia Y

    2014-11-15

    Experimentation in late-gestation fetal sheep has suggested that regulation of amniotic fluid (AF) volume occurs primarily by modulating the rate of intramembranous transport of water and solutes across the amnion into underlying fetal blood vessels. In order to gain insight into intramembranous transport mechanisms, we developed a computer model that allows simulation of experimentally measured changes in AF volume and composition over time. The model included fetal urine excretion and lung liquid secretion as inflows into the amniotic compartment plus fetal swallowing and intramembranous absorption as outflows. By using experimental flows and solute concentrations for urine, lung liquid, and swallowed fluid in combination with the passive and active transport mechanisms of the intramembranous pathway, we simulated AF responses to basal conditions, intra-amniotic fluid infusions, fetal intravascular infusions, urine replacement, and tracheoesophageal occlusion. The experimental data are consistent with four intramembranous transport mechanisms acting in concert: 1) an active unidirectional bulk transport of AF with all dissolved solutes out of AF into fetal blood presumably by vesicles; 2) passive bidirectional diffusion of solutes, such as sodium and chloride, between fetal blood and AF; 3) passive bidirectional water movement between AF and fetal blood; and 4) unidirectional transport of lactate into the AF. Further, only unidirectional bulk transport is dynamically regulated. The simulations also identified areas for future study: 1) identifying intramembranous stimulators and inhibitors, 2) determining the semipermeability characteristics of the intramembranous pathway, and 3) characterizing the vesicles that are the primary mediators of intramembranous transport. Copyright © 2014 the American Physiological Society.

  18. Development of Antipsychotic Medications with Novel Mechanisms of Action Based on Computational Modeling of Hippocampal Neuropathology

    PubMed Central

    Siekmeier, Peter J.; vanMaanen, David P.

    2013-01-01

    A large number of cellular level abnormalities have been identified in the hippocampus of schizophrenic subjects. Nonetheless, it remains uncertain how these pathologies interact at a system level to create clinical symptoms, and this has hindered the development of more effective antipsychotic medications. Using a 72-processor supercomputer, we created a tissue level hippocampal simulation, featuring multicompartmental neuron models with multiple ion channel subtypes and synaptic channels with realistic temporal dynamics. As an index of the schizophrenic phenotype, we used the specific inability of the model to attune to 40 Hz (gamma band) stimulation, a well-characterized abnormality in schizophrenia. We examined several possible combinations of putatively schizophrenogenic cellular lesions by systematically varying model parameters representing NMDA channel function, dendritic spine density, and GABA system integrity, conducting 910 trials in total. Two discrete “clusters” of neuropathological changes were identified. The most robust was characterized by co-occurring modest reductions in NMDA system function (-30%) and dendritic spine density (-30%). Another set of lesions had greater NMDA hypofunction along with low level GABA system dysregulation. To the schizophrenic model, we applied the effects of 1,500 virtual medications, which were implemented by varying five model parameters, independently, in a graded manner; the effects of known drugs were also applied. The simulation accurately distinguished agents that are known to lack clinical efficacy, and identified novel mechanisms (e.g., decrease in AMPA conductance decay time constant, increase in projection strength of calretinin-positive interneurons) and combinations of mechanisms that could re-equilibrate model behavior. These findings shed light on the mechanistic links between schizophrenic neuropathology and the gamma band oscillatory abnormalities observed in the illness. As such, they generate

  19. Coarsening of the Sn-Pb Solder Microstructure in Constitutive Model-Based Predictions of Solder Joint Thermal Mechanical Fatigue

    SciTech Connect

    Vianco, P.T.; Burchett, S.N.; Neilsen, M.K.; Rejent, J.A.; Frear, D.R.

    1999-04-12

    Thermal mechanical fatigue (TMF) is an important damage mechanism for solder joints exposed to cyclic temperature environments. Predicting the service reliability of solder joints exposed to such conditions requires two knowledge bases: first, the extent of fatigue damage incurred by the solder microstructure leading up to fatigue crack initiation, must be quantified in both time and space domains. Secondly, fatigue crack initiation and growth must be predicted since this metric determines, explicitly, the loss of solder joint functionality as it pertains to its mechanical fastening as well as electrical continuity roles. This paper will describe recent progress in a research effort to establish a microstructurally-based, constitutive model that predicts TMF deformation to 63Sn-37Pb solder in electronic solder joints up to the crack initiation step. The model is implemented using a finite element setting; therefore, the effects of both global and local thermal expansion mismatch conditions in the joint that would arise from temperature cycling.

  20. Atomistic modeling of thermodynamic properties of Pu-Ga alloys based on the Invar mechanism

    NASA Astrophysics Data System (ADS)

    Lee, Tongsik; Taylor, Christopher D.; Lawson, A. C.; Conradson, Steven D.; Chen, Shao Ping; Caro, A.; Valone, Steven M.; Baskes, Michael I.

    2014-05-01

    We present an atomistic model that accounts for a range of anomalous thermodynamic properties of the fcc δ phase of Pu-Ga alloys in terms of the Invar mechanism. Two modified embedded atom method potentials are employed to represent competing electronic states in δ-Pu, each of which has an individual configuration dependence as well as distinct interactions with gallium. Using classical Monte Carlo simulations, we compute the temperature dependence of various thermodynamic properties for different dilute gallium concentrations. The model reproduces the observed effects of excessive volume reduction along with a rapid shift in thermal expansion from negative to positive values with increasing gallium concentration. It also predicts progressive stiffening upon dilute-gallium alloying, while the calculated thermal softening is nearly independent of the gallium concentration in agreement with resonant ultrasound spectroscopy measurements in the literature. Analysis of the local structure predicted by the model indicates that the distribution of the gallium atoms is not completely random in the δ phase due to the presence of short-range order associated with the Invar mechanism. This effect is consistent with the nanoscale heterogeneity in local gallium concentration which is observed in recent extended x-ray absorption fine structure spectroscopy experiments. Implications of the Invar effect for phase stability and physical interpretations of the two states are also discussed.

  1. Mechanics of materials model

    NASA Technical Reports Server (NTRS)

    Meister, Jeffrey P.

    1987-01-01

    The Mechanics of Materials Model (MOMM) is a three-dimensional inelastic structural analysis code for use as an early design stage tool for hot section components. MOMM is a stiffness method finite element code that uses a network of beams to characterize component behavior. The MOMM contains three material models to account for inelastic material behavior. These include the simplified material model, which assumes a bilinear stress-strain response; the state-of-the-art model, which utilizes the classical elastic-plastic-creep strain decomposition; and Walker's viscoplastic model, which accounts for the interaction between creep and plasticity that occurs under cyclic loading conditions.

  2. A mechanical model for predicting the probability of osteoporotic hip fractures based in DXA measurements and finite element simulation

    PubMed Central

    2012-01-01

    Background Osteoporotic hip fractures represent major cause of disability, loss of quality of life and even mortality among the elderly population. Decisions on drug therapy are based on the assessment of risk factors for fracture, from BMD measurements. The combination of biomechanical models with clinical studies could better estimate bone strength and supporting the specialists in their decision. Methods A model to assess the probability of fracture, based on the Damage and Fracture Mechanics has been developed, evaluating the mechanical magnitudes involved in the fracture process from clinical BMD measurements. The model is intended for simulating the degenerative process in the skeleton, with the consequent lost of bone mass and hence the decrease of its mechanical resistance which enables the fracture due to different traumatisms. Clinical studies were chosen, both in non-treatment conditions and receiving drug therapy, and fitted to specific patients according their actual BMD measures. The predictive model is applied in a FE simulation of the proximal femur. The fracture zone would be determined according loading scenario (sideway fall, impact, accidental loads, etc.), using the mechanical properties of bone obtained from the evolutionary model corresponding to the considered time. Results BMD evolution in untreated patients and in those under different treatments was analyzed. Evolutionary curves of fracture probability were obtained from the evolution of mechanical damage. The evolutionary curve of the untreated group of patients presented a marked increase of the fracture probability, while the curves of patients under drug treatment showed variable decreased risks, depending on the therapy type. Conclusion The FE model allowed to obtain detailed maps of damage and fracture probability, identifying high-risk local zones at femoral neck and intertrochanteric and subtrochanteric areas, which are the typical locations of osteoporotic hip fractures. The

  3. Statistical mechanics of competitive resource allocation using agent-based models

    NASA Astrophysics Data System (ADS)

    Chakraborti, Anirban; Challet, Damien; Chatterjee, Arnab; Marsili, Matteo; Zhang, Yi-Cheng; Chakrabarti, Bikas K.

    2015-01-01

    Demand outstrips available resources in most situations, which gives rise to competition, interaction and learning. In this article, we review a broad spectrum of multi-agent models of competition (El Farol Bar problem, Minority Game, Kolkata Paise Restaurant problem, Stable marriage problem, Parking space problem and others) and the methods used to understand them analytically. We emphasize the power of concepts and tools from statistical mechanics to understand and explain fully collective phenomena such as phase transitions and long memory, and the mapping between agent heterogeneity and physical disorder. As these methods can be applied to any large-scale model of competitive resource allocation made up of heterogeneous adaptive agent with non-linear interaction, they provide a prospective unifying paradigm for many scientific disciplines.

  4. A Novel Nonlinear Mathematical Model of Thoracic Wall Mechanics During Cardiopulmonary Resuscitation Based on a Porcine Model of Cardiac Arrest.

    PubMed

    Jalali, Ali; Simpao, Allan F; Nadkarni, Vinay M; Berg, Robert A; Nataraj, C

    2017-02-01

    Cardiopulmonary resuscitation (CPR) is used widely to rescue cardiac arrest patients, yet some physiological aspects of the procedure remain poorly understood. We conducted this study to characterize the dynamic mechanical properties of the thorax during CPR in a swine model. This is an important step toward determining optimal CPR chest compression mechanics with the goals of improving the fidelity of CPR simulation manikins and ideally chest compression delivery in real-life resuscitations. This paper presents a novel nonlinear model of the thorax that captures the complex behavior of the chest during CPR. The proposed model consists of nonlinear elasticity and damping properties along with frequency dependent hysteresis. An optimization technique was used to estimate the model coefficients for force-compression using data collected from experiments conducted on swine. To track clinically relevant, time-dependent changes of the chest's properties, the data was divided into two time periods, from 1 to 10 min (early) and greater than 10 min (late) after starting CPR. The results showed excellent agreement between the actual and the estimated forces, and energy dissipation due to viscous damping in the late stages of CPR was higher when compared to the earlier stages. These findings provide insight into improving chest compression mechanics during CPR, and may provide the basis for developing CPR simulation manikins that more accurately represent the complex real world changes that occur in the chest during CPR.

  5. Mechanism-based model of a mass rapid transit system: A perspective

    NASA Astrophysics Data System (ADS)

    Legara, Erika Fille; Khoon, Lee Kee; Guang, Hung Gih; Monterola, Christopher

    2015-01-01

    In this paper, we discuss our findings on the spatiotemporal dynamics within the mass rapid transit (MRT) system of Singapore. We show that the trip distribution of Origin-Destination (OD) station pairs follows a power-law, implying the existence of critical OD pairs. We then present and discuss the empirically validated agent-based model (ABM) we have developed. The model allows recreation of the observed statistics and the setting up of various scenarios and their effects on the system, such as increasing the commuter population and the propagation of travel delays within the transportation network. The proposed model further enables identification of bottlenecks that can cause the MRT to break down, and consequently provide foresight on how such disruptions can possibly be managed. This can potentially provide a versatile approach for transport planners and government regulators to make quantifiable policies that optimally balance cost and convenience as a function of the number of the commuting public.

  6. Non-ablative hyperthermic mesenchymal regeneration: a proposed mechanism of action based on the Vivev model

    NASA Astrophysics Data System (ADS)

    Vos, Jeffrey A.; Livengood, Ryan H.; Jessop, Morris; Coad, James E.

    2011-03-01

    Novel non-ablative hyperthermic medical devices are currently being developed, in association with cryogen surface cooling, to rejuvenate tissues without collagen scarring. These devices have been designed to remodel skin, manage urinary stress incontinence, and more recently, treat vaginal laxity. In contrast to the thermal injury and reparative healing associated with higher energy ablation systems, these lower energy non-ablative systems are designed to subtly modify the collagen, stimulate the fibroblasts, and maintain a functional tissue architecture that subsequently promotes tissue rejuvenation and restoration. While these devices have primarily relied on clinical outcome questionnaires and satisfaction surveys to establish efficacy, a physiologic explanation for the induced tissue changes and tightening has not been well documented. Recent histology studies, using the Viveve ovine vaginal treatment model, have identified changes that propose both a mechanism of action and a tissue remodeling timeline for such non-ablative hyperthermic devices. The Viveve model results are consistent with subtle connective tissue changes leading to fibroblast stimulation and subsequent collagen replacement and augmentation. Unlike tissue ablation devices that cause thermal necrosis, these non-ablative devices renew the targeted tissue without dense collagenous scarring over a period of 3 or more months. The spectrum of histologic findings, as illustrated in the Viveve ovine vaginal model, further support the previously documented safety and efficacy profiles for low-dose non-ablative hyperthermic devices that rejuvenate and tighten submucosal tissues.

  7. Wear-mechanism modelling

    SciTech Connect

    Ashby, M.F. . Dept. of Engineering)

    1993-03-01

    Goals of the program are to calculate the surface temperatures in dry sliding, develop a soft wear tester for ceramics, survey the wear mechanisms in brittle solids, and couple the temperature calculations with models to give wear maps for brittle solids. (DLC)

  8. A cell-based computational model of early embryogenesis coupling mechanical behaviour and gene regulation

    NASA Astrophysics Data System (ADS)

    Delile, Julien; Herrmann, Matthieu; Peyriéras, Nadine; Doursat, René

    2017-01-01

    The study of multicellular development is grounded in two complementary domains: cell biomechanics, which examines how physical forces shape the embryo, and genetic regulation and molecular signalling, which concern how cells determine their states and behaviours. Integrating both sides into a unified framework is crucial to fully understand the self-organized dynamics of morphogenesis. Here we introduce MecaGen, an integrative modelling platform enabling the hypothesis-driven simulation of these dual processes via the coupling between mechanical and chemical variables. Our approach relies upon a minimal `cell behaviour ontology' comprising mesenchymal and epithelial cells and their associated behaviours. MecaGen enables the specification and control of complex collective movements in 3D space through a biologically relevant gene regulatory network and parameter space exploration. Three case studies investigating pattern formation, epithelial differentiation and tissue tectonics in zebrafish early embryogenesis, the latter with quantitative comparison to live imaging data, demonstrate the validity and usefulness of our framework.

  9. A cell-based computational model of early embryogenesis coupling mechanical behaviour and gene regulation.

    PubMed

    Delile, Julien; Herrmann, Matthieu; Peyriéras, Nadine; Doursat, René

    2017-01-23

    The study of multicellular development is grounded in two complementary domains: cell biomechanics, which examines how physical forces shape the embryo, and genetic regulation and molecular signalling, which concern how cells determine their states and behaviours. Integrating both sides into a unified framework is crucial to fully understand the self-organized dynamics of morphogenesis. Here we introduce MecaGen, an integrative modelling platform enabling the hypothesis-driven simulation of these dual processes via the coupling between mechanical and chemical variables. Our approach relies upon a minimal 'cell behaviour ontology' comprising mesenchymal and epithelial cells and their associated behaviours. MecaGen enables the specification and control of complex collective movements in 3D space through a biologically relevant gene regulatory network and parameter space exploration. Three case studies investigating pattern formation, epithelial differentiation and tissue tectonics in zebrafish early embryogenesis, the latter with quantitative comparison to live imaging data, demonstrate the validity and usefulness of our framework.

  10. Mechanical Model Analysis for Quantitative Evaluation of Liver Fibrosis Based on Ultrasound Tissue Elasticity Imaging

    NASA Astrophysics Data System (ADS)

    Shiina, Tsuyoshi; Maki, Tomonori; Yamakawa, Makoto; Mitake, Tsuyoshi; Kudo, Masatoshi; Fujimoto, Kenji

    2012-07-01

    Precise evaluation of the stage of chronic hepatitis C with respect to fibrosis has become an important issue to prevent the occurrence of cirrhosis and to initiate appropriate therapeutic intervention such as viral eradication using interferon. Ultrasound tissue elasticity imaging, i.e., elastography can visualize tissue hardness/softness, and its clinical usefulness has been studied to detect and evaluate tumors. We have recently reported that the texture of elasticity image changes as fibrosis progresses. To evaluate fibrosis progression quantitatively on the basis of ultrasound tissue elasticity imaging, we introduced a mechanical model of fibrosis progression and simulated the process by which hepatic fibrosis affects elasticity images and compared the results with those clinical data analysis. As a result, it was confirmed that even in diffuse diseases like chronic hepatitis, the patterns of elasticity images are related to fibrous structural changes caused by hepatic disease and can be used to derive features for quantitative evaluation of fibrosis stage.

  11. Mechanical model for ductility loss

    SciTech Connect

    Hu, W.L.

    1980-02-11

    A mechanical model was constructed to probe into the mechanism of ductility loss. Fracture criterion based on critical localized deformation was undertaken. Two microstructure variables were considered in the model. Namely, the strength ratio of grain boundary affected area to the matrix, ..cap omega.., and the linear fraction, x, of grain boundary affected area. A parametrical study was carried out. The study shows that the ductility is very sensitive to those microstructure parameters. The functional dependence of ductility to temperature as well as strain-rate, suggested by the model, is demonstrated to be consistent with the observation.

  12. Study of detecting mechanism of carbon nanotubes gas sensor based on multi-stable stochastic resonance model.

    PubMed

    Jingyi, Zhu

    2015-01-01

    The detecting mechanism of carbon nanotubes gas sensor based on multi-stable stochastic resonance (MSR) model was studied in this paper. A numerically stimulating model based on MSR was established. And gas-ionizing experiment by adding electronic white noise to induce 1.65 MHz periodic component in the carbon nanotubes gas sensor was performed. It was found that the signal-to-noise ratio (SNR) spectrum displayed 2 maximal values, which accorded to the change of the broken-line potential function. The experimental results of gas-ionizing experiment demonstrated that periodic component of 1.65 MHz had multiple MSR phenomena, which was in accordance with the numerical stimulation results. In this way, the numerical stimulation method provides an innovative method for the detecting mechanism research of carbon nanotubes gas sensor.

  13. Mechanical analysis of congestive heart failure caused by bundle branch block based on an electromechanical canine heart model.

    PubMed

    Dou, Jianhong; Xia, Ling; Zhang, Yu; Shou, Guofa; Wei, Qing; Liu, Feng; Crozier, Stuart

    2009-01-21

    Asynchronous electrical activation, induced by bundle branch block (BBB), can cause reduced ventricular function. However, the effects of BBB on the mechanical function of heart are difficult to assess experimentally. Many heart models have been developed to investigate cardiac properties during BBB but have mainly focused on the electrophysiological properties. To date, the mechanical function of BBB has not been well investigated. Based on a three-dimensional electromechanical canine heart model, the mechanical properties of complete left and right bundle branch block (LBBB and RBBB) were simulated. The anatomical model as well as the fiber orientations of a dog heart was reconstructed from magnetic resonance imaging (MRI) and diffusion tensor MRI (DT-MRI). Using the solutions of reaction-diffusion equations and with a strategy of parallel computation, the asynchronous excitation propagation and intraventricular conduction in BBB was simulated. The mechanics of myocardial tissues were computed with time-, sarcomere length-dependent uniaxial active stress initiated at the time of depolarization. The quantification of mechanical intra- and interventricular asynchrony of BBB was then investigated using the finite-element method with an eight-node isoparametric element. The simulation results show that (1) there exists inter- and intraventricular systolic dyssynchrony during BBB; (2) RBBB may have more mechanical synchrony and better systolic function of the left ventricle (LV) than LBBB; (3) the ventricles always move toward the early-activated ventricle; and (4) the septum experiences higher stress than left and right ventricular free walls in BBB. The simulation results validate clinical and experimental recordings of heart deformation and provide regional quantitative estimates of ventricular wall strain and stress. The present work suggests that an electromechanical heart model, incorporating real geometry and fiber orientations, may be helpful for better

  14. Mechanical analysis of congestive heart failure caused by bundle branch block based on an electromechanical canine heart model

    NASA Astrophysics Data System (ADS)

    Dou, Jianhong; Xia, Ling; Zhang, Yu; Shou, Guofa; Wei, Qing; Liu, Feng; Crozier, Stuart

    2009-01-01

    Asynchronous electrical activation, induced by bundle branch block (BBB), can cause reduced ventricular function. However, the effects of BBB on the mechanical function of heart are difficult to assess experimentally. Many heart models have been developed to investigate cardiac properties during BBB but have mainly focused on the electrophysiological properties. To date, the mechanical function of BBB has not been well investigated. Based on a three-dimensional electromechanical canine heart model, the mechanical properties of complete left and right bundle branch block (LBBB and RBBB) were simulated. The anatomical model as well as the fiber orientations of a dog heart was reconstructed from magnetic resonance imaging (MRI) and diffusion tensor MRI (DT-MRI). Using the solutions of reaction-diffusion equations and with a strategy of parallel computation, the asynchronous excitation propagation and intraventricular conduction in BBB was simulated. The mechanics of myocardial tissues were computed with time-, sarcomere length-dependent uniaxial active stress initiated at the time of depolarization. The quantification of mechanical intra- and interventricular asynchrony of BBB was then investigated using the finite-element method with an eight-node isoparametric element. The simulation results show that (1) there exists inter- and intraventricular systolic dyssynchrony during BBB; (2) RBBB may have more mechanical synchrony and better systolic function of the left ventricle (LV) than LBBB; (3) the ventricles always move toward the early-activated ventricle; and (4) the septum experiences higher stress than left and right ventricular free walls in BBB. The simulation results validate clinical and experimental recordings of heart deformation and provide regional quantitative estimates of ventricular wall strain and stress. The present work suggests that an electromechanical heart model, incorporating real geometry and fiber orientations, may be helpful for better

  15. Computational model for the cell-mechanical response of the osteocyte cytoskeleton based on self-stabilizing tensegrity structures.

    PubMed

    Kardas, Dieter; Nackenhorst, Udo; Balzani, Daniel

    2013-01-01

    The mechanism by which mechanical stimulation on osteocytes results in biochemical signals that initiate the remodeling process inside living bone tissue is largely unknown. Even the type of stimulation acting on these cells is not yet clearly identified. However, the cytoskeleton of osteocytes is suggested to play a major role in the mechanosensory process due to the direct connection to the nucleus. In this paper, a computational approach to model and simulate the cell structure of osteocytes based on self-stabilizing tensegrity structures is suggested. The computational model of the cell consists of the major components with respect to mechanical aspects: the integrins that connect the cell with the extracellular bone matrix, and different types of protein fibers (microtubules and intermediate filaments) that form the cytoskeleton, the membrane-cytoskeleton (microfilaments), the nucleus and the centrosome. The proposed geometrical cell models represent the cell in its physiological environment which is necessary in order to give a statement on the cell behavior in vivo. Studies on the mechanical response of osteocytes after physiological loading and in particular the mechanical response of the nucleus show that the load acting on the nucleus is rising with increasing deformation applied to the integrins.

  16. A simplified quantum mechanical model for nanowire transistors based on non-linear variational calculus

    NASA Astrophysics Data System (ADS)

    Carrillo-Nuñez, H.; Magnus, Wim; Peeters, F. M.

    2010-09-01

    A simplified quantum mechanical model is developed to investigate quantum transport features such as the electron concentration and the current flowing through a silicon nanowire metal-oxide-semiconductor field-effect transistor (MOSFET). In particular, the electron concentration is extracted from a self-consistent solution of the Schrödinger and Poisson equations as well as the ballistic Boltzmann equation which have been solved by exploiting a nonlinear variational principle within the framework of the generalized local density approximation. A suitable action functional has been minimized and details of the implementation and its numerical minimization are given. The current density and its related current-voltage characteristics are calculated from the one-dimensional ballistic steady-state Boltzmann transport equation which is solved analytically by using the method of characteristic curves. The straightforward implementation, the computational speed and the good qualitative behavior of the transport characteristics observed in our approach make it a promising simulation method for modeling quantum transport in nanowire MOSFETs.

  17. The design and modelling of a comb-drive-based microengine for mechanism drive applications

    NASA Astrophysics Data System (ADS)

    Garcia, E. J.; Sniegowski, J. J.

    The design and modelling of a comb-drive-based microengine is presented. The motivation for developing such a device came from our own need to drive specific micromechanisms. Difficulty in connecting an external load to an existing micromotor and insufficient torque led us to a design which uses the comb drive concept of Tang, Nguyen, and Howe, to convert linear oscillatory motion into rotational motion. The microengine provides output in the form of a continuously rotating output gear that is capable of delivering torque to a micromechanism. The microengine can be operated at varying speeds and its motion can be reversed. Modelling of the system indicates that dynamic effects are important and that the device behaves in ways similar to that of 'high speed' machinery. Processing considerations address the elimination of natural interferences that arise when conformally deposited polysilicon films form the links, joints, and gears. The resultant device is completely batch fabricated without the need for manual assembly steps.

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

    NASA Astrophysics Data System (ADS)

    Yu, Chao; Kang, Guozheng; Kan, Qianhua

    2017-01-01

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

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

    NASA Astrophysics Data System (ADS)

    Yu, Chao; Kang, Guozheng; Kan, Qianhua

    2017-06-01

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

  20. On the applicability of STDP-based learning mechanisms to spiking neuron network models

    NASA Astrophysics Data System (ADS)

    Sboev, A.; Vlasov, D.; Serenko, A.; Rybka, R.; Moloshnikov, I.

    2016-11-01

    The ways to creating practically effective method for spiking neuron networks learning, that would be appropriate for implementing in neuromorphic hardware and at the same time based on the biologically plausible plasticity rules, namely, on STDP, are discussed. The influence of the amount of correlation between input and output spike trains on the learnability by different STDP rules is evaluated. A usability of alternative combined learning schemes, involving artificial and spiking neuron models is demonstrated on the iris benchmark task and on the practical task of gender recognition.

  1. Mechanical analysis of three dimensional woven carbon fiber-reinforced composites using fiber-based continuum model

    NASA Astrophysics Data System (ADS)

    Ahn, Hyunchul; An, Yongsan; Yu, Woong-Ryeol

    2016-10-01

    A new numerical method for analyzing the mechanical behavior of three-dimensional (3D) woven carbon fiber-reinforced composites was developed by considering changes in the fiber orientation and calculating the stress increments due to incremental deformations. The model consisted of four steps, starting update of the yarn orientation based on incremental deformation gradient. The stiffness matrix was then computed using the updated yarn orientation. Next, partial damage and propagation were incorporated into the stress calculation using modified ply discount method. The failure conditions were obtained by testing the unidirectional composites and formulated using Puck's criterion. This numerical model was finally implemented into commercial finite element software, ABAQUS, as a user material subroutine. As for experiment, 3D woven composite samples was manufactured using laboratory built-in system and characterized, the results of which were compared with simulated results, demonstrating that the current numerical model can properly predict the mechanical behavior of 3D fiber-reinforced composites.

  2. Detailed numerical investigation of the dissipative stochastic mechanics based neuron model.

    PubMed

    Güler, Marifi

    2008-10-01

    Recently, a physical approach for the description of neuronal dynamics under the influence of ion channel noise was proposed in the realm of dissipative stochastic mechanics (Güler, Phys Rev E 76:041918, 2007). Led by the presence of a multiple number of gates in an ion channel, the approach establishes a viewpoint that ion channels are exposed to two kinds of noise: the intrinsic noise, associated with the stochasticity in the movement of gating particles between the inner and the outer faces of the membrane, and the topological noise, associated with the uncertainty in accessing the permissible topological states of open gates. Renormalizations of the membrane capacitance and of a membrane voltage dependent potential function were found to arise from the mutual interaction of the two noisy systems. The formalism therein was scrutinized using a special membrane with some tailored properties giving the Rose-Hindmarsh dynamics in the deterministic limit. In this paper, the resultant computational neuron model of the above approach is investigated in detail numerically for its dynamics using time-independent input currents. The following are the major findings obtained. The intrinsic noise gives rise to two significant coexisting effects: it initiates spiking activity even in some range of input currents for which the corresponding deterministic model is quiet and causes bursting in some other range of input currents for which the deterministic model fires tonically. The renormalization corrections are found to augment the above behavioral transitions from quiescence to spiking and from tonic firing to bursting, and, therefore, the bursting activity is found to take place in a wider range of input currents for larger values of the correction coefficients. Some findings concerning the diffusive behavior in the voltage space are also reported.

  3. A Pulse-type Hardware Level Difference Detection Model Based on Sound Source Localization Mechanism in Barn Owl

    NASA Astrophysics Data System (ADS)

    Sakurai, Tsubasa; Sekine, Yoshifumi

    Auditory information processing is very important in the darkness where vision information is extremely limited. Barn owls have excellent hearing information processing function. Barn owls can detect a sound source in the high accuracy of less than two degrees in both of the vertical and horizontal directions. When they perform the sound source localization, the barn owls use the interaural time difference for localization in the horizontal plane, and the interaural level difference for localization in the vertical plane. We are constructing the two-dimensional sound source localization model using pulse-type hardware neuron models based on sound source localization mechanism of barn owl for the purpose of the engineering application. In this paper, we propose a pulse-type hardware model for level difference detection based on sound source localization mechanism of barn owl. Firstly, we discuss the response characteristics of the mathematical model for level difference detection. Next we discuss the response characteristics of the hardware mode. As a result, we show clearly that this proposal model can be used as a sound source localization model of vertical direction.

  4. Mechanics of non-critical fold-thrust belts based on finite element models

    NASA Astrophysics Data System (ADS)

    Simpson, Guy

    2011-03-01

    The mechanics of fold-thrust belts and accretionary wedges is investigated using a two dimensional, plane strain, elastic-plastic (cohesive Mohr-Coulomb) mechanical model solved with the Finite Element Method. Results show that when a layer with an initially non-critical geometry is compressed from the rear, it does not form a wedge that is at failure throughout, as assumed in critical wedge theory. Rather, the wedge consists of narrow plastic shear zones that propagate sequentially outward with time, loading rocks ahead while unloading rocks behind. Not only are stress states within the wedge not everywhere at failure but principal stress orientations vary strongly in time and space, particularly across shear zones, near the basal detachment and in the hanging wall of active structures, where local surface extension may be observed. The reason the investigated wedges are not stressed to compressive failure throughout is related to strength reduction associated with strain localisation that enables material outside shear zones to unload and return to an elastic stress state. This mechanism is intrinsic to elastic-plastic materials and occurs regardless of any material degradation such as loss of cohesion. Even though the stress state of the investigated wedges is generally non-critical, the overall geometry may still be consistent with cohesionless critical wedge theory, since the local surface slope is created when a particular part of the wedge is at a limit state. Prowedge tapers display non self-similar growth through time but eventually evolve to the minimum critical taper. Retrowedges on the other hand, may get caught within this initial transient state and thus may have tapers anywhere between the minimum and maximum critical taper. However, if the basal detachment is such that lateral propagation is not kinematically inhibited, retrowedges are shown to also eventually evolve towards minimum critical tapers, resulting in a symmetrical doubly-vergent orogen

  5. Modelling Cochlear Mechanics

    PubMed Central

    Elliott, Stephen J.; Teal, Paul D.

    2014-01-01

    The cochlea plays a crucial role in mammal hearing. The basic function of the cochlea is to map sounds of different frequencies onto corresponding characteristic positions on the basilar membrane (BM). Sounds enter the fluid-filled cochlea and cause deflection of the BM due to pressure differences between the cochlear fluid chambers. These deflections travel along the cochlea, increasing in amplitude, until a frequency-dependent characteristic position and then decay away rapidly. The hair cells can detect these deflections and encode them as neural signals. Modelling the mechanics of the cochlea is of help in interpreting experimental observations and also can provide predictions of the results of experiments that cannot currently be performed due to technical limitations. This paper focuses on reviewing the numerical modelling of the mechanical and electrical processes in the cochlea, which include fluid coupling, micromechanics, the cochlear amplifier, nonlinearity, and electrical coupling. PMID:25136555

  6. Investigation of the best coseismic fault model of the 2006 Java tsunami earthquake based on mechanisms of postseismic deformation

    NASA Astrophysics Data System (ADS)

    Gunawan, Endra; Meilano, Irwan; Abidin, Hasanuddin Z.; Hanifa, Nuraini Rahma; Susilo

    2016-03-01

    We investigate three available coseismic fault models of the 2006 M7.8 Java tsunami earthquake, as reported by Fujii and Satake (2006), Bilek and Engdahl (2007), and Yagi and Fukahata (2011), in order to find the best coseismic model based on mechanisms of postseismic deformation associated with viscoelastic relaxation and afterslip. We construct a preliminary rheological model using vertical data, obtaining a final rheological model after we include horizontal and vertical components of afterslip in the further process. Our analysis indicates that the coseismic fault model of Fujii and Satake (2006) provides a better and more realistic result for a rheological model than the others. The best-fit rheological model calculated using the coseismic fault model of Fujii and Satake (2006) comprises a 60 ± 5 km elastic layer thickness with a viscosity of 2.0 ± 1.0 × 1017 Pa s in the asthenosphere. Also, we find that afterslip is dominant over the horizontal displacements, while viscoelastic relaxation is dominant over the vertical displacement. Additionally, in comparison to the coseismic displacement found through GPS data taken at BAKO station, our calculation indicates that Fujii and Satake (2006) modeled coseismic displacements with less GPS data misfit than the other examined models. Finally, we emphasize that our methodology for evaluating the best coseismic fault model can satisfactorily explain the postseismic deformation of the 2006 Java tsunami earthquake.

  7. Mechanical modeling of cholesterol crystallization in atherosclerotic plaques base on Micro-OCT images (Conference Presentation)

    NASA Astrophysics Data System (ADS)

    Luo, Yuemei; Liu, Xinyu; Chen, Si; Cui, Dongyao; Wang, Xianghong; Liu, Linbo

    2016-02-01

    Plaque rupture is the critical cause of cardiovascular thrombosis but this process is still under discussion. Recent studies show that, during crystallization, cholesterol crystals in atheromatous plaques accumulate rapidly in a limited space and may result in plaque rupture. However, the actual role of cholesterol crystals on plaque rupture remains unclear due to the lack of detailed morphological information of cholesterol crystals. In this study, we used a Micro-optical coherence tomography (µOCT) setup with 1-2 µm spatial resolution to extract the geometry of cholesterol crystals from human atherosclerotic artery ex vivo firstly. With measured dimensions of cholesterol crystals by this µOCT system (the average length and thickness of 269.1±80.16 µm and 3.0±0.33 µm), we developed a two-dimensional mechanical model in which rectangular shaped cholesterol crystals distribute at different locations spatially. We predicted the stress on the thin cap induced by the expansion of cholesterol crystals by use of finite-element method. Since a large portion of plaques (58%) rupture at points of peak circumferential stress (PCS), we used PCS as the primary indicator of plaque stability with blood pressure of 14.6 kPa on the lumen. The results demonstrate that loading of the concentrated crystals especially at the cap shoulder destabilize the plaque by proportionally increasing the PCS, while evenly distributed crystals loading along the cap might impose less PCS to the plaque than the concentrated case.

  8. A cell-based computational model of early embryogenesis coupling mechanical behaviour and gene regulation

    PubMed Central

    Delile, Julien; Herrmann, Matthieu; Peyriéras, Nadine; Doursat, René

    2017-01-01

    The study of multicellular development is grounded in two complementary domains: cell biomechanics, which examines how physical forces shape the embryo, and genetic regulation and molecular signalling, which concern how cells determine their states and behaviours. Integrating both sides into a unified framework is crucial to fully understand the self-organized dynamics of morphogenesis. Here we introduce MecaGen, an integrative modelling platform enabling the hypothesis-driven simulation of these dual processes via the coupling between mechanical and chemical variables. Our approach relies upon a minimal ‘cell behaviour ontology' comprising mesenchymal and epithelial cells and their associated behaviours. MecaGen enables the specification and control of complex collective movements in 3D space through a biologically relevant gene regulatory network and parameter space exploration. Three case studies investigating pattern formation, epithelial differentiation and tissue tectonics in zebrafish early embryogenesis, the latter with quantitative comparison to live imaging data, demonstrate the validity and usefulness of our framework. PMID:28112150

  9. A phase-contrast microscopy-based method for modeling the mechanical behavior of mesenchymal stem cells.

    PubMed

    Saeed, Mayssam; Sharabani-Yosef, Orna; Weihs, Daphne; Gefen, Amit

    2016-10-01

    We present three-dimensional (3D) finite element (FE) models of single, mesenchymal stem cells (MSCs), generated from images obtained by optical phase-contrast microscopy and used to quantify the structural responses of the studied cells to externally applied mechanical loads. Mechanical loading has been shown to affect cell morphology and structure, phenotype, motility and other biological functions. Cells experience mechanical loads naturally, yet under prolonged or sizable loading, damage and cell death may occur, which motivates research regarding the structural behavior of loaded cells. For example, near the weight-bearing boney prominences of the buttocks of immobile persons, tissues may become highly loaded, eventually leading to massive cell death that manifests as pressure ulcers. Cell-specific computational models have previously been developed by our group, allowing simulations of cell deformations under compressive or stretching loads. These models were obtained by reconstructing specific cell structures from series of 2D fluorescence, confocal image-slices, requiring cell-specific fluorescent-staining protocols and costly (confocal) microscopy equipment. Alternative modeling approaches represent cells simply as half-spheres or half-ellipsoids (i.e. idealized geometries), which neglects the curvature details of the cell surfaces associated with changes in concentrations of strains and stresses. Thus, we introduce here for the first time an optical image-based FE modeling, where loads are simulated on reconstructed 3D geometrical cell models from a single 2D, phase-contrast image. Our novel modeling method eliminates the need for confocal imaging and fluorescent staining preparations (both expensive), and makes cell-specific FE modeling affordable and accessible to the biomechanics community. We demonstrate the utility of this cost-effective modeling method by performing simulations of compression of MSCs embedded in a gel.

  10. Actin-based gravity-sensing mechanisms in unicellular plant model systems

    NASA Astrophysics Data System (ADS)

    Braun, Markus; Limbach, Christoph

    2005-08-01

    Considerable progress has been made in the understanding of the molecular and cellular mechanisms underlying gravity sensing and gravity-oriented polarized growth in single-celled rhizoids and protonemata of the characean algae. It is well known that the actin cytoskeleton plays a key role in these processes. Numerous actin-binding proteins control apical actin polymerization and the dynamic remodeling of the actin arrangement. An actomyosin-based system mediates the delivery and incorporation of secretory vesicles at the growing tip and coordinates the tip-high gradient of cytoplasmic free calcium which is required for local exocytosis. Additionally, the actomyosin system precisely controls the position of statoliths and, upon a change in orientation relative to the gravity vector, directs sedimenting statoliths to the confined graviperception sites of the plasma membrane where gravitropic signalling is initiated. The upward growth response of protonemata is preceded by an actin-dependent relocalization of the Ca2+-gradient to the upper flank. The downward growth response of rhizoids, however, is caused by differential growth of the opposite flankes due to a local reduction of cytoplasmic free calcium limited to the plasma membrane area where statoliths are sedimented. Thus, constant actin polymerization in the growing tip and the spatiotemporal control of actin remodeling are essential for gravity sensing and gravity-oriented polarized growth of characean rhizoids and protonemata.

  11. Mechanisms and Modelling of Environment-Dependent Fatigue Crack Growth in a Nickel Based Superalloy

    DTIC Science & Technology

    1991-12-12

    controlling mechanisms of this environment-dependent crack growth stage in Alloy 718 in order to develop the ability to predict the crack growth performance...stage crack-tip oxidation mechanism. According to this mechanism, the oxygen partial pressure controls the preferential formation of the oxide layers at...network. The reduction in grain boundary ductility due to oxidation is balanced by considering the effective strain at the crack tip resulting from

  12. Effect of calcification on the mechanical stability of plaque based on a three-dimensional carotid bifurcation model

    PubMed Central

    2012-01-01

    Background This study characterizes the distribution and components of plaque structure by presenting a three-dimensional blood-vessel modelling with the aim of determining mechanical properties due to the effect of lipid core and calcification within a plaque. Numerical simulation has been used to answer how cap thickness and calcium distribution in lipids influence the biomechanical stress on the plaque. Method Modelling atherosclerotic plaque based on structural analysis confirms the rationale for plaque mechanical examination and the feasibility of our simulation model. Meaningful validation of predictions from modelled atherosclerotic plaque model typically requires examination of bona fide atherosclerotic lesions. To analyze a more accurate plaque rupture, fluid-structure interaction is applied to three-dimensional blood-vessel carotid bifurcation modelling. A patient-specific pressure variation is applied onto the plaque to influence its vulnerability. Results Modelling of the human atherosclerotic artery with varying degrees of lipid core elasticity, fibrous cap thickness and calcification gap, which is defined as the distance between the fibrous cap and calcification agglomerate, form the basis of our rupture analysis. Finite element analysis shows that the calcification gap should be conservatively smaller than its threshold to maintain plaque stability. The results add new mechanistic insights and methodologically sound data to investigate plaque rupture mechanics. Conclusion Structural analysis using a three-dimensional calcified model represents a more realistic simulation of late-stage atherosclerotic plaque. We also demonstrate that increases of calcium content that is coupled with a decrease in lipid core volume can stabilize plaque structurally. PMID:22336469

  13. Microseismic forward modeling based on different focal mechanisms used by the seismic moment tensor and elastic wave equation

    NASA Astrophysics Data System (ADS)

    Li, Huijian; Wang, Runqiu; Cao, Siyuan

    2015-04-01

    The source mechanisms of microseismics in hydraulic fracturing present guiding significance to the research on source types, crustal stress analysis and crack prediction. Numerical simulations based on various source mechanisms can be used to investigate the stress characteristics and response characteristics of different source types. In this paper, a method based on the seismic moment tensor (SMT) and elastic wave equation (EWE) was presented for forward modeling. Additionally, we have given the expressions of nine couples of force which can be combined into different kinds of source types. The calculations of wave fields and records with three basic types of sources showed the features in homogeneous isotropic and anisotropic media by the finite-difference (FD) method. Lastly, analysis of the relationship between the polarizing angle and incident angle provided us with some evidence to distinguish the type of media in single media. The work offers methods of instruction for identification and interpretation in microseismic monitoring.

  14. Analysis of regulatory mechanism after ErbB4 gene mutation based on local modeling methodology.

    PubMed

    Chen, C L; Zhao, J W

    2016-05-13

    ErbB4 is an oncogene belonging to the epidermal growth factor receptor family and contributes to the occurrence and development of multiple cancers, such as gastric, breast, and colorectal cancers. Therefore, studies of the regulation of ErbB4 in cancerigenic pathway will advance molecular targeted therapy. Advanced bioinformatic analysis softwares, such as ExPASy, Predictprotei, QUARK, and I-TASSER, were used to analyze the regulatory mechanism after ErbB4 gene mutation in terms of amino acid sequence, primary, secondary, and tertiary structure of the protein and upstream-downstream receptor/ligands. Mutation of the 19th and 113th amino acids at the carboxyl terminus of ErbB4 protein did not affect its biological nature, but its secondary structure changed and protein binding sites were near 2 mutational sites; moreover, after mutation introduction, additional binding sites were observed. Tertiary structure modeling indicated that local structure of ErbB4 was changed from an α helical conformation into a β chain folding structure; the α helical conformation is the functional site of protein, while active sites are typically near junctions between helical regions, thus the helical structures are easily destroyed and change into folding structures or other structures after stretching. Mutable sites of ErbB4 is exact binding sites where dimer formed with other epidermal growth factor family proteins; mutation enabled the ErbB4 receptor to bind to neuregulin 1 ligand without dimer formation, disrupting the signal transduction pathway and affecting ErbB4 function.

  15. Identification and design of novel polymer-based mechanical transducers: A nano-structural model for thin film indentation

    SciTech Connect

    Villanueva, Joshua; Huang, Qian; Sirbuly, Donald J.

    2014-09-14

    Mechanical characterization is important for understanding small-scale systems and developing devices, particularly at the interface of biology, medicine, and nanotechnology. Yet, monitoring sub-surface forces is challenging with current technologies like atomic force microscopes (AFMs) or optical tweezers due to their probe sizes and sophisticated feedback mechanisms. An alternative transducer design relying on the indentation mechanics of a compressible thin polymer would be an ideal system for more compact and versatile probes, facilitating measurements in situ or in vivo. However, application-specific tuning of a polymer's mechanical properties can be burdensome via experimental optimization. Therefore, efficient transducer design requires a fundamental understanding of how synthetic parameters such as the molecular weight and grafting density influence the bulk material properties that determine the force response. In this work, we apply molecular-level polymer scaling laws to a first order elastic foundation model, relating the conformational state of individual polymer chains to the macroscopic compression of thin film systems. A parameter sweep analysis was conducted to observe predicted model trends under various system conditions and to understand how nano-structural elements influence the material stiffness. We validate the model by comparing predicted force profiles to experimental AFM curves for a real polymer system and show that it has reasonable predictive power for initial estimates of the force response, displaying excellent agreement with experimental force curves. We also present an analysis of the force sensitivity of an example transducer system to demonstrate identification of synthetic protocols based on desired mechanical properties. These results highlight the usefulness of this simple model as an aid for the design of a new class of compact and tunable nanomechanical force transducers.

  16. Identification and design of novel polymer-based mechanical transducers: A nano-structural model for thin film indentation

    NASA Astrophysics Data System (ADS)

    Villanueva, Joshua; Huang, Qian; Sirbuly, Donald J.

    2014-09-01

    Mechanical characterization is important for understanding small-scale systems and developing devices, particularly at the interface of biology, medicine, and nanotechnology. Yet, monitoring sub-surface forces is challenging with current technologies like atomic force microscopes (AFMs) or optical tweezers due to their probe sizes and sophisticated feedback mechanisms. An alternative transducer design relying on the indentation mechanics of a compressible thin polymer would be an ideal system for more compact and versatile probes, facilitating measurements in situ or in vivo. However, application-specific tuning of a polymer's mechanical properties can be burdensome via experimental optimization. Therefore, efficient transducer design requires a fundamental understanding of how synthetic parameters such as the molecular weight and grafting density influence the bulk material properties that determine the force response. In this work, we apply molecular-level polymer scaling laws to a first order elastic foundation model, relating the conformational state of individual polymer chains to the macroscopic compression of thin film systems. A parameter sweep analysis was conducted to observe predicted model trends under various system conditions and to understand how nano-structural elements influence the material stiffness. We validate the model by comparing predicted force profiles to experimental AFM curves for a real polymer system and show that it has reasonable predictive power for initial estimates of the force response, displaying excellent agreement with experimental force curves. We also present an analysis of the force sensitivity of an example transducer system to demonstrate identification of synthetic protocols based on desired mechanical properties. These results highlight the usefulness of this simple model as an aid for the design of a new class of compact and tunable nanomechanical force transducers.

  17. Dissecting mechanisms of mouse embryonic stem cells heterogeneity through a model-based analysis of transcription factor dynamics.

    PubMed

    Herberg, Maria; Glauche, Ingmar; Zerjatke, Thomas; Winzi, Maria; Buchholz, Frank; Roeder, Ingo

    2016-04-01

    Pluripotent mouse embryonic stem cells (mESCs) show heterogeneous expression levels of transcription factors (TFs) involved in pluripotency regulation, among them Nanog and Rex1. The expression of both TFs can change dynamically between states of high and low activity, correlating with the cells' capacity for self-renewal. Stochastic fluctuations as well as sustained oscillations in gene expression are possible mechanisms to explain this behaviour, but the lack of suitable data hampered their clear distinction. Here, we present a systems biology approach in which novel experimental data on TF heterogeneity is complemented by an agent-based model of mESC self-renewal. Because the model accounts for intracellular interactions, cell divisions and heredity structures, it allows for evaluating the consistency of the proposed mechanisms with data on population growth and on TF dynamics after cell sorting. Our model-based analysis revealed that a bistable, noise-driven network model fulfils the minimal requirements to consistently explain Nanog and Rex1 expression dynamics in heterogeneous and sorted mESC populations. Moreover, we studied the impact of TF-related proliferation capacities on the frequency of state transitions and demonstrate that cellular genealogies can provide insights into the heredity structures of mESCs. © 2016 The Author(s).

  18. Modelling and simulations of the chemo-mechanical behaviour of leached cement-based materials: Interactions between damage and leaching

    SciTech Connect

    Stora, E.; Bary, B.; Deville, E.; Montarnal, P.

    2010-08-15

    The assessment of the durability of cement-based materials, which could be employed in underground structures for nuclear waste disposal, requires accounting for deterioration factors, such as chemical attacks and damage, and for the interactions between these phenomena. The objective of the present paper consists in investigating the long-term behaviour of cementitious materials by simulating their response to chemical and mechanical solicitations. In a companion paper (Stora et al., submitted to Cem. Concr. Res. 2008), the implementation of a multi-scale homogenization model into an integration platform has allowed for evaluating the evolution of the mineral composition, diffusive and elastic properties inside a concrete material subjected to leaching. To complete this previous work, an orthotropic micromechanical damage model is presently developed and incorporated in this numerical platform to estimate the mechanical and diffusive properties of damaged cement-based materials. Simulations of the chemo-mechanical behaviour of leached cementitious materials are performed with the tool thus obtained and compared with available experiments. The numerical results are insightful about the interactions between damage and chemical deteriorations.

  19. An agent-based model for elasto-plastic mechanical interactions between cells, basement membrane and extracellular matrix.

    PubMed

    D'Antonio, Gianluca; Macklin, Paul; Preziosi, Luigi

    2013-02-01

    The basement membrane (BM) and extracellular matrix (ECM) play critical roles in developmental and cancer biology, and are of great interest in biomathematics. We introduce a model of mechanical cell-BM-ECM interactions that extends current (visco)elastic models (e.g. [8,16]), and connects to recent agent-based cell models (e.g. [2,3,20,26]). We model the BM as a linked series of Hookean springs, each with time-varying length, thickness, and spring constant. Each BM spring node exchanges adhesive and repulsive forces with the cell agents using potential functions. We model elastic BM-ECM interactions with analogous ECM springs. We introduce a new model of plastic BM and ECM reorganization in response to prolonged strains, and new constitutive relations that incorporate molecular-scale effects of plasticity into the spring constants. We find that varying the balance of BM and ECM elasticity alters the node spacing along cell boundaries, yielding a nonuniform BM thickness. Uneven node spacing generates stresses that are relieved by plasticity over long times. We find that elasto-viscoplastic cell shape response is critical to relieving uneven stresses in the BM. Our modeling advances and results highlight the importance of rigorously modeling of cell-BM-ECM interactions in clinically important conditions with significant membrane deformations and time-varying membrane properties, such as aneurysms and progression from in situ to invasive carcinoma.

  20. Agent-based modeling traction force mediated compaction of cell-populated collagen gels using physically realistic fibril mechanics.

    PubMed

    Reinhardt, James W; Gooch, Keith J

    2014-02-01

    Agent-based modeling was used to model collagen fibrils, composed of a string of nodes serially connected by links that act as Hookean springs. Bending mechanics are implemented as torsional springs that act upon each set of three serially connected nodes as a linear function of angular deflection about the central node. These fibrils were evaluated under conditions that simulated axial extension, simple three-point bending and an end-loaded cantilever. The deformation of fibrils under axial loading varied <0.001% from the analytical solution for linearly elastic fibrils. For fibrils between 100 μm and 200 μm in length experiencing small deflections, differences between simulated deflections and their analytical solutions were <1% for fibrils experiencing three-point bending and <7% for fibrils experiencing cantilever bending. When these new rules for fibril mechanics were introduced into a model that allowed for cross-linking of fibrils to form a network and the application of cell traction force, the fibrous network underwent macroscopic compaction and aligned between cells. Further, fibril density increased between cells to a greater extent than that observed macroscopically and appeared similar to matrical tracks that have been observed experimentally in cell-populated collagen gels. This behavior is consistent with observations in previous versions of the model that did not allow for the physically realistic simulation of fibril mechanics. The significance of the torsional spring constant value was then explored to determine its impact on remodeling of the simulated fibrous network. Although a stronger torsional spring constant reduced the degree of quantitative remodeling that occurred, the inclusion of torsional springs in the model was not necessary for the model to reproduce key qualitative aspects of remodeling, indicating that the presence of Hookean springs is essential for this behavior. These results suggest that traction force mediated

  1. Electrophilic assistance to the cleavage of an RNA model phopshodiester via specific and general base-catalyzed mechanisms.

    PubMed

    Corona-Martínez, David Octavio; Gomez-Tagle, Paola; Yatsimirsky, Anatoly K

    2012-10-19

    Kinetics of transesterification of the RNA model substrate 2-hydroxypropyl 4-nitrophenyl phosphate promoted by Mg(2+) and Ca(2+), the most common biological metals acting as cofactors for nuclease enzymes and ribozymes, as well as by Co(NH(3))(6)(3+), Co(en)(3)(3+), Li(+), and Na(+) cations, often employed as mechanistic probes, was studied in 80% v/v (50 mol %) aqueous DMSO, a medium that allows one to discriminate easily specific base (OH(-)-catalyzed) and general base (buffer-catalyzed) reaction paths. All cations assist the specific base reaction, but only Mg(2+) and Na(+) assist the general base reaction. For Mg(2+)-assisted reactions, the solvent deuterium isotope effects are 1.23 and 0.25 for general base and specific base mechanisms, respectively. Rate constants for Mg(2+)-assisted general base reactions measured with different bases fit the Brønsted correlation with a slope of 0.38, significantly lower than the slope for the unassisted general base reaction (0.77). Transition state binding constants for catalysts in the specific base reaction (K(‡)(OH)) both in aqueous DMSO and pure water correlate with their binding constants to 4-nitrophenyl phosphate dianion (K(NPP)) used as a minimalist transition state model. It was found that K(‡)(OH) ≈ K(NPP) for "protic" catalysts (Co(NH(3))(6)(3+), Co(en)(3)(3+), guanidinium), but K(‡)(OH) ≫ K(NPP) for Mg(2+) and Ca(2+) acting as Lewis acids. It appears from results of this study that Mg(2+) is unique in its ability to assist efficiently the general base-catalyzed transesterification often occurring in active sites of nuclease enzymes and ribozymes.

  2. Modeling of abnormal mechanical properties of nickel-based single crystal superalloy by three-dimensional discrete dislocation dynamics

    NASA Astrophysics Data System (ADS)

    Yang, Hui; Li, Zhenhuan; Huang, Minsheng

    2014-12-01

    Unlike common single crystals, the nickel-based single crystal superalloy shows surprisingly anomalous flow strength (i.e. with the increase of temperature, the yield strength first increases to a peak value and then decreases) and tension-compression (TC) asymmetry. A comprehensive three-dimensional discrete dislocation dynamics (3D-DDD) procedure was developed to model these abnormal mechanical properties. For this purpose, a series of complicated dynamic evolution details of Kear-Wilsdorf (KW) locks, which are closely related to the flow strength anomaly and TC asymmetry, were incorporated into this 3D-DDD framework. Moreover, the activation of the cubic slip system, which is the origin of the decrease in yield strength with increasing temperature at relatively high temperatures, was especially taken into account by introducing a competition criterion between the unlocking of the KW locks and the activation of the cubic slip system. To test our framework, a series of 3D-DDD simulations were performed on a representative volume cell model with a cuboidal Ni3Al precipitate phase embedded in a nickel matrix. Results show that the present 3D-DDD procedure can successfully capture the dynamic evolution of KW locks, the flow strength anomaly and TC asymmetry. Then, the underlying dislocation mechanisms leading to these abnormal mechanical responses were investigated and discussed in detail. Finally, a cyclic deformation of the nickel-based single crystal superalloy was modeled by using the present DDD model, with a special focus on the influence of KW locks on the Bauschinger effect and cyclic softening.

  3. From Agents to Continuous Change via Aesthetics: Learning Mechanics with Visual Agent-Based Computational Modeling

    ERIC Educational Resources Information Center

    Sengupta, Pratim; Farris, Amy Voss; Wright, Mason

    2012-01-01

    Novice learners find motion as a continuous process of change challenging to understand. In this paper, we present a pedagogical approach based on agent-based, visual programming to address this issue. Integrating agent-based programming, in particular, Logo programming, with curricular science has been shown to be challenging in previous research…

  4. From Agents to Continuous Change via Aesthetics: Learning Mechanics with Visual Agent-Based Computational Modeling

    ERIC Educational Resources Information Center

    Sengupta, Pratim; Farris, Amy Voss; Wright, Mason

    2012-01-01

    Novice learners find motion as a continuous process of change challenging to understand. In this paper, we present a pedagogical approach based on agent-based, visual programming to address this issue. Integrating agent-based programming, in particular, Logo programming, with curricular science has been shown to be challenging in previous research…

  5. A physically-based continuum damage mechanics model for numerical prediction of damage growth in laminated composite plates

    NASA Astrophysics Data System (ADS)

    Williams, Kevin Vaughan

    Rapid growth in use of composite materials in structural applications drives the need for a more detailed understanding of damage tolerant and damage resistant design. Current analytical techniques provide sufficient understanding and predictive capabilities for application in preliminary design, but current numerical models applicable to composites are few and far between and their development into well tested, rigorous material models is currently one of the most challenging fields in composite materials. The present work focuses on the development, implementation, and verification of a plane-stress continuum damage mechanics based model for composite materials. A physical treatment of damage growth based on the extensive body of experimental literature on the subject is combined with the mathematical rigour of a continuum damage mechanics description to form the foundation of the model. The model has been implemented in the LS-DYNA3D commercial finite element hydrocode and the results of the application of the model are shown to be physically meaningful and accurate. Furthermore it is demonstrated that the material characterization parameters can be extracted from the results of standard test methodologies for which a large body of published data already exists for many materials. Two case studies are undertaken to verify the model by comparison with measured experimental data. The first series of analyses demonstrate the ability of the model to predict the extent and growth of damage in T800/3900-2 carbon fibre reinforced polymer (CFRP) plates subjected to normal impacts over a range of impact energy levels. The predicted force-time and force-displacement response of the panels compare well with experimental measurements. The damage growth and stiffness reduction properties of the T800/3900-2 CFRP are derived using published data from a variety of sources without the need for parametric studies. To further demonstrate the physical nature of the model, a IM6

  6. Development of a physiologically based pharmacokinetic/pharmacodynamic model to identify mechanisms contributing to entacapone low bioavailability.

    PubMed

    Alqahtani, Saeed; Kaddoumi, Amal

    2015-12-01

    Entacapone is an inhibitor of catechol-O-methyltransferase (COMT) and is being used to extend the therapeutic effect of levodopa in patients with advanced and fluctuating Parkinson's disease. Entacapone has low and variable oral bioavailability and the underlying mechanism(s) for this behavior have not been studied. To explain such behavior and to characterize the dynamic changes in the metabolism of entacapone, a physiologically based pharmacokinetic/pharmacodynamic (PBPK/PD) model was developed integrating in silico, in vitro and in vivo pharmacokinetic data. The model was developed and verified in healthy volunteers and subsequently expanded to predict the pharmacokinetic parameters of entacapone phosphate, a prodrug of entacapone, and to assess the impact of hepatic impairment on the pharmacokinetics of entacapone. Low and inter-individual variability in bioavailability could be attributed to the extensive first-pass metabolism by UGTs in the liver and, to a lesser extent, the small intestine. The predictive performance of this model was acceptable with predicted Cmax , AUC and PD parameters lying within 20% of the observed data. The model indicates that the low bioavailability could be attributed to the extensive first-pass effect of entacapone.

  7. Confocal microscopy-based three-dimensional cell-specific modeling for large deformation analyses in cellular mechanics.

    PubMed

    Slomka, Noa; Gefen, Amit

    2010-06-18

    This study introduces a new confocal microscopy-based three-dimensional cell-specific finite element (FE) modeling methodology for simulating cellular mechanics experiments involving large cell deformations. Three-dimensional FE models of undifferentiated skeletal muscle cells were developed by scanning C2C12 myoblasts using a confocal microscope, and then building FE model geometries from the z-stack images. Strain magnitudes and distributions in two cells were studied when the cells were subjected to compression and stretching, which are used in pressure ulcer and deep tissue injury research to induce large cell deformations. Localized plasma membrane and nuclear surface area (NSA) stretches were observed for both the cell compression and stretching simulation configurations. It was found that in order to induce large tensile strains (>5%) in the plasma membrane and NSA, one needs to apply more than approximately 15% of global cell deformation in cell compression tests, or more than approximately 3% of tensile strains in the elastic plate substrate in cell stretching experiments. Utilization of our modeling can substantially enrich experimental cellular mechanics studies in classic cell loading designs that typically involve large cell deformations, such as static and cyclic stretching, cell compression, micropipette aspiration, shear flow and hydrostatic pressure, by providing magnitudes and distributions of the localized cellular strains specific to each setup and cell type, which could then be associated with the applied stimuli.

  8. A piezoelectric six-DOF vibration energy harvester based on parallel mechanism: dynamic modeling, simulation, and experiment

    NASA Astrophysics Data System (ADS)

    Yuan, G.; Wang, D. H.

    2017-03-01

    Multi-directional and multi-degree-of-freedom (multi-DOF) vibration energy harvesting are attracting more and more research interest in recent years. In this paper, the principle of a piezoelectric six-DOF vibration energy harvester based on parallel mechanism is proposed to convert the energy of the six-DOF vibration to single-DOF vibrations of the limbs on the energy harvester and output voltages. The dynamic model of the piezoelectric six-DOF vibration energy harvester is established to estimate the vibrations of the limbs. On this basis, a Stewart-type piezoelectric six-DOF vibration energy harvester is developed and explored. In order to validate the established dynamic model and the analysis results, the simulation model of the Stewart-type piezoelectric six-DOF vibration energy harvester is built and tested with different vibration excitations by SimMechanics, and some preliminary experiments are carried out. The results show that the vibration of the limbs on the piezoelectric six-DOF vibration energy harvester can be estimated by the established dynamic model. The developed Stewart-type piezoelectric six-DOF vibration energy harvester can harvest the energy of multi-directional linear vibration and multi-axis rotating vibration with resonance frequencies of 17 Hz, 25 Hz, and 47 Hz. Moreover, the resonance frequencies of the developed piezoelectric six-DOF vibration energy harvester are not affected by the direction changing of the vibration excitation.

  9. Mechanism-based pharmacokinetic-pharmacodynamic modeling of the antinociceptive effect of buprenorphine in healthy volunteers.

    PubMed

    Yassen, Ashraf; Olofsen, Erik; Romberg, Raymonda; Sarton, Elise; Danhof, Meindert; Dahan, Albert

    2006-06-01

    The objective of this investigation was to characterize the pharmacokinetic-pharmacodynamic relation of buprenorphine's antinociceptive effect in healthy volunteers. Data on the time course of the antinociceptive effect after intravenous administration of 0.05-0.6 mg/70 kg buprenorphine in healthy volunteers was analyzed in conjunction with plasma concentrations by nonlinear mixed-effects analysis. A three-compartment pharmacokinetic model best described the concentration time course. Four structurally different pharmacokinetic-pharmacodynamic models were evaluated for their appropriateness to describe the time course of buprenorphine's antinociceptive effect: (1) E(max) model with an effect compartment model, (2) "power" model with an effect compartment model, (3) receptor association-dissociation model with a linear transduction function, and (4) combined biophase equilibration/receptor association-dissociation model with a linear transduction function. The latter pharmacokinetic-pharmacodynamic model described the time course of effect best and was used to explain time dependencies in buprenorphine's pharmacodynamics. The model converged, yielding precise estimation of the parameters characterizing hysteresis and the relation between relative receptor occupancy and antinociceptive effect. The rate constant describing biophase equilibration (k(eo)) was 0.00447 min(-1) (95% confidence interval, 0.00299-0.00595 min(-1)). The receptor dissociation rate constant (k(off)) was 0.0785 min(-1) (95% confidence interval, 0.0352-0.122 min(-1)), and k(on) was 0.0631 ml . ng(-1) . min(-1) (95% confidence interval, 0.0390-0.0872 ml . ng(-1) . min(-1)). This is consistent with observations in rats, suggesting that the rate-limiting step in the onset and offset of the antinociceptive effect is biophase distribution rather than slow receptor association-dissociation. In the dose range studied, no saturation of receptor occupancy occurred explaining the lack of a ceiling effect

  10. Radiation and mechanical unloading effects on mouse vertebral bone: Ground-based models of the spaceflight environment

    NASA Astrophysics Data System (ADS)

    Alwood, Joshua Stewart

    Astronauts on long-duration space missions experience increased ionizing radiation background levels and occasional acute doses of ionizing radiation from solar particle events, in addition to biological challenges introduced by weightlessness. Previous research indicates that cancer radiotherapy damages bone marrow cell populations and reduces mechanical strength of bone. However, the cumulative doses in radiotherapy are an order of magnitude or greater than dose predictions for long-duration space missions. Further detriments to the skeletal system are the disuse and mechanical unloading experienced during weightlessness, which causes osteopenia in weight-bearing cancellous bone (a sponge-like bony network of rods, plates and voids) and cortical bone (dense, compact bone). Studies of radiation exposure utilizing spaceflight-relevant types and doses, and in combination with mechanical unloading, have received little attention. Motivated by the future human exploration of the solar system, the effects of acute and increased background radiation on astronaut skeletal health are important areas of study in order to prevent osteopenic deterioration and, ultimately, skeletal fracture. This dissertation addresses how spaceflight-relevant radiation affects bone microarchitecture and mechanical properties in the cancellous-rich vertebrae and compares results to that of mechanical unloading. In addition, a period of re-ambulation is used to test whether animals recover skeletal tissue after irradiation. Whether radiation exposure displays synergism with mechanical unloading is further investigated. Finite element structural and statistical analyses are used to investigate how changes in architecture affect mechanical stress within the vertebra and to interpret the mechanical testing results. In this dissertation, ground-based models provide evidence that ionizing radiation, both highly energetic gamma-rays and charged iron ions, resulted in a persistent loss of cancellous

  11. A Physically-Based and Distributed Tool for Modeling the Hydrological and Mechanical Processes of Shallow Landslides

    NASA Astrophysics Data System (ADS)

    Arnone, E.; Noto, L. V.; Dialynas, Y. G.; Caracciolo, D.; Bras, R. L.

    2015-12-01

    This work presents the capabilities of a model, i.e. the tRIBS-VEGGIE-Landslide, in two different versions, i.e. developed within a probabilistic framework and coupled with a root cohesion module. The probabilistic model treats geotechnical and soil retention curve parameters as random variables across the basin and estimates theoretical probability distributions of slope stability and the associated "factor of safety" commonly used to describe the occurrence of shallow landslides. The derived distributions are used to obtain the spatio-temporal dynamics of probability of failure, conditioned on soil moisture dynamics at each watershed location. The framework has been tested in the Luquillo Experimental Forest (Puerto Rico) where shallow landslides are common. In particular, the methodology was used to evaluate how the spatial and temporal patterns of precipitation, whose variability is significant over the basin, affect the distribution of probability of failure. Another version of the model accounts for the additional cohesion exerted by vegetation roots. The approach is to use the Fiber Bundle Model (FBM) framework that allows for the evaluation of the root strength as a function of the stress-strain relationships of bundles of fibers. The model requires the knowledge of the root architecture to evaluate the additional reinforcement from each root diameter class. The root architecture is represented with a branching topology model based on Leonardo's rule. The methodology has been tested on a simple case study to explore the role of both hydrological and mechanical root effects. Results demonstrate that the effects of root water uptake can at times be more significant than the mechanical reinforcement; and that the additional resistance provided by roots depends heavily on the vegetation root structure and length.

  12. A model-based observer for state and stress estimation in structural and mechanical systems: Experimental validation

    NASA Astrophysics Data System (ADS)

    Erazo, Kalil; Hernandez, Eric M.

    2014-02-01

    In this paper we present the results from a validation study of a recently proposed model-based state observer for structural and mechanical systems. The observer uses a finite element model of the structure and noise contaminated measurements to estimate the state and stress time histories at arbitrary locations in the structure of interest. The initial conditions and unknown excitations are described by random vectors and random processes with known covariance and power spectral density. A laboratory model consisting of an aluminum cantilever beam was used to perform the experiment. Two types of loading conditions were tested: an impact hammer test and a band limited excitation delivered through a shaker. The results obtained with the proposed observer are compared to the measured stress at the locations of interest, and to estimates obtained using well-established estimation methods such as Luenberger observers and the Kalman filter. The main finding is that for all experiments conducted the proposed model-based observer yielded estimates with higher or comparable accuracy to all other methods considered, with the advantage of requiring significantly less computational effort and with a more direct and transparent implementation.

  13. Mechanics and hydraulics of unsaturated soils: what makes interfaces an indispensable part of a physically-based model

    NASA Astrophysics Data System (ADS)

    Nikooee, E.; Hassanizadeh, S. M.

    2014-12-01

    The foundations of the current theories for hydraulics and mechanics of unsaturated soils have been mainly based on the empirically introduced equations. There are various characteristics of unsaturated soils for which lots of different empirical equations have been proposed such as hydraulic conductivity, water retention curve, and effective stress parameter. One of the remarkable challenges which all current models face is hysteresis, i.e., for a certain matric suction, values of saturation, hydraulic conductivity and effective stress parameter in drying state and wetting are different. Conventional models of hydraulic and mechanical behaviour of unsaturated soils try to account for the hysteresis phenomenon by means of different empirical equations for each hydraulic path. Hassanizadeh and Gray (1993) claimed that the hysteresis in capillary pressure-saturation curves can be modelled through the inclusion of air-water interfaces as a new independent variable [1]. It has recently been stated that the same conjecture can be made for suction stress [2]. Therefore, it seems to better portray hydraulic and mechanical behaviour of unsaturated soils, interfaces are required as an indispensable part of the framework [3, 4]. This presentation aims at introducing the drawbacks of current theories of hydraulics and mechanics of unsaturated soils. For this purpose, the role of interfaces in the mechanics and hydraulics of unsaturated soils is explained and different possibilities to account for the contribution of interfaces are discussed. Finally, current challenges and future research directions are set forth. References[1] Hassanizadeh, S.M. & Gray, W.G.: Thermodynamic basis of capillary pressure in porous media. Water Resour.Res. 29(1993), 3389-3405.[2] Nikooee, E., Habibagahi, G., Hassanizadeh, S.M. & Ghahramani, A.: Effective Stress in unsaturated Soils: a thermodynamic approach based on the interfacial energy and hydromechanical coupling. Transport porous Med. 96

  14. Microstructure Based Modeling of β Phase Influence on Mechanical Response of Cast AM Series Mg Alloys

    SciTech Connect

    Barker, Erin I.; Choi, Kyoo Sil; Sun, Xin; Deda, Erin; Allison, John; Li, Mei; Forsmark, Joy; Zindel, Jacob; Godlewski, Larry

    2014-09-30

    Magnesium alloys have become popular alternatives to aluminums and steels for the purpose of vehicle light-weighting. However, Mg alloys are hindered from wider application due to limited ductility as well as poor creep and corrosion performance. Understanding the impact of microstructural features on bulk response is key to improving Mg alloys for more widespread use and for moving towards truly predicting modeling capabilities. This study focuses on modeling the intrinsic features, particularly volume fraction and morphology of beta phase present, of cast Mg alloy microstructure and quantifying their impact on bulk performance. Computational results are compared to experimental measurements of cast plates of Mg alloy with varying aluminum content.

  15. Variability of preference toward mechanical ventilator settings: a model-based behavioral analysis.

    PubMed

    Allerød, Charlotte; Karbing, Dan S; Thorgaard, Per; Andreassen, Steen; Kjærgaard, Søren; Rees, Stephen E

    2011-12-01

    The purpose of this study was to evaluate Danish clinicians' opinions toward ventilator settings using standardized model-simulated patients. The models ensured that all clinicians received identical presentations of data and anticipated responses to changes in patient state, enabling opinions on the same patient cases to be obtained from different clinicians. Ten Danish intensive care clinicians' and a computerized decision support system each provided suggestions for respiratory frequency (f), tidal volume (Vt) and insoired oxygen fraction (FiO2) in the same 10 model-simulated patient cases. The 110 suggestions were then evaluated by the 10 clinicians in a ranking and classification procedure. Clinicians' preferences toward ventilator settings (Fio(2), Vt, and f) and the resulting simulated values of arterial oxygen saturation, peak inspiratory pressure, and pH were significantly different (P < .005). The results of the classification showed that clinicians generally had poor opinion of the advice provided by other clinicians and the decision support system, considering this advice to be unacceptable in 33% of cases and good only in 21%. The ranking procedure also showed that clinicians did not agree on the best and worst advice. The present study shows significant difference in opinion on appropriate settings of f, Vt, and Fio(2) in the same computerized decision support system model-simulated patient cases. Copyright © 2011 Elsevier Inc. All rights reserved.

  16. Tuned and Balanced Redistributed Charge Scheme for Combined Quantum Mechanical and Molecular Mechanical (QM/MM) Methods and Fragment Methods: Tuning Based on the CM5 Charge Model.

    PubMed

    Wang, Bo; Truhlar, Donald G

    2013-02-12

    Tuned and balanced redistributed charge schemes have been developed for modeling the electrostatic fields of bonds that are cut by a quantum mechanical-molecular mechanical boundary in combined quantum mechanical and molecular mechanical (QM/MM) methods. First, the charge is balanced by adjusting the charge on the MM boundary atom to conserve the total charge of the entire QM/MM system. In the balanced smeared redistributed charge (BSRC) scheme, the adjusted MM boundary charge is smeared with a smearing width of 1.0 Å and is distributed in equal portions to the midpoints of the bonds between the MM boundary atom and the MM atoms bonded to it; in the balanced redistributed charge-2 (BRC2) scheme, the adjusted MM boundary charge is distributed as point charges in equal portions to the MM atoms that are bonded to the MM boundary atom. The QM subsystem is capped by a fluorine atom that is tuned to reproduce the sum of partial atomic charges of the uncapped portion of the QM subsystem. The new aspect of the present study is a new way to carry out the tuning process; in particular, the CM5 charge model, rather than the Mulliken population analysis applied in previous studies, is used for tuning the capping atom that terminates the dangling bond of the QM region. The mean unsigned error (MUE) of the QM/MM deprotonation energy for a 15-system test suite of deprotonation reactions is 2.3 kcal/mol for the tuned BSRC scheme (TBSRC) and 2.4 kcal/mol for the tuned BRC2 scheme (TBRC2). As was the case for the original tuning method based on Mulliken charges, the new tuning method performs much better than using conventional hydrogen link atoms, which have an MUE on this test set of about 7 kcal/mol. However, the new scheme eliminates the need to use small basis sets, which can be problematic, and it allows one to be more consistent by tuning the parameters with whatever basis set is appropriate for applications. (Alternatively, since the tuning parameters and partial charges

  17. Molecular mechanism-based model to enhance outcomes of dietary intervention studies for disease prevention

    PubMed Central

    Dey, Moul

    2014-01-01

    Advances in “omics”-based fields have produced an explosion of new information, fueling high expectations for improved public and individualized health. Unfortunately, there exists a widening gap between basic biochemistry and “omics”-based population research, with both disciplines failing to translate their full potential impact to human health applications. A paucity of comprehensive study systems is one of the many roadblocks faced by translational research today. This commentary will highlight the current status of such research, particularly emphasizing the role of nutrigenomics. PMID:25364700

  18. Thermo-hydro-mechanical modeling and analysis of cement-based energy storages for small-scale dwellings

    NASA Astrophysics Data System (ADS)

    Hailemariam, Henok; Wuttke, Frank

    2016-04-01

    One of the common technologies for balancing the energy demand and supply in district heating, domestic hot water production, thermal power plants and thermal process industries in general is thermal energy storage. Thermal energy storage, in particular sensible heat storage as compared to latent heat storage and thermo-chemical storage, has recently gained much interest in the renewable energy storage sector due to its comparatively low cost and technical development. Sensible heat storages work on the principle of storing thermal energy by raising or lowering the temperature of liquid (commonly water) or solid media, and do not involve material phase change or conversion of thermal energy by chemical reactions or adsorption processes as in latent heat and thermo-chemical storages, respectively. In this study, the coupled thermo-hydro-mechanical behaviour of a cement-based thermal energy storage system for domestic applications has been modeled in both saturated as well as unsaturated conditions using the Finite Element method along with an extensive experimental analysis program for parameter detection. For this purpose, a prototype model is used with three well-known thermal energy storage materials, and the temperature and heat distribution of the system were investigated under specific thermo-hydro-mechanical conditions. Thermal energy samples with controlled water to solids ratio and stored in water for up to 28 days were used for the experimental program. The determination of parameters included: thermal conductivity, specific heat capacity and linear coefficient of thermal expansion (CTE) using a transient line-source measurement technique as well as a steady-state thermal conductivity and expansion meter; mechanical strength parameters such as uni-axial strength, young's modulus of elasticity, poisson's ratio and shear parameters using uniaxial, oedometer and triaxial tests; and hydraulic properties such as hydraulic permeability or conductivity under

  19. A new fracture assessment approach coupling HR-pQCT imaging and fracture mechanics-based finite element modeling.

    PubMed

    Ural, Ani; Bruno, Peter; Zhou, Bin; Shi, X Tony; Guo, X Edward

    2013-04-26

    A new fracture assessment approach that combines HR-pQCT imaging with fracture mechanics-based finite element modeling was developed to evaluate distal radius fracture load. Twenty distal radius images obtained from postmenopausal women (fracture, n=10; nonfracture, n=10) were processed to obtain a cortical and a whole bone model for each subject. The geometrical properties of each model were evaluated and the corresponding fracture load was determined under realistic fall conditions using cohesive finite element modeling. The results showed that the whole bone fracture load can be estimated based on the cortical fracture load for nonfracture (R(2)=0.58, p=0.01) and pooled data (R(2)=0.48, p<0.001) but not for the fracture group. The portion of the whole bone fracture load carried by the cortical bone increased with increasing cortical fracture load (R(2)≥0.5, p<0.05) indicating that a more robust cortical bone carries a larger percentage of whole bone fracture load. Cortical thickness was found to be the best predictor of both cortical and whole bone fracture load for all groups (R(2) range: 0.49-0.96, p<0.02) with the exception of fracture group whole bone fracture load showing the predictive capability of cortical geometrical properties in determining whole bone fracture load. Fracture group whole bone fracture load was correlated with trabecular thickness (R(2)=0.4, p<0.05) whereas the nonfracture and the pooled group did not show any correlation with the trabecular parameters. In summary, this study introduced a new modeling approach that coupled HR-pQCT imaging with fracture mechanics-based finite element simulations, incorporated fracture toughness and realistic fall loading conditions in the models, and showed the significant contribution of the cortical compartment to the overall fracture load of bone. Our results provide more insight into the fracture process in bone and may lead to improved fracture load predictions. Copyright © 2013 Elsevier Ltd. All

  20. A NEW FRACTURE ASSESSMENT APPROACH COUPLING HR-pQCT IMAGING AND FRACTURE MECHANICS-BASED FINITE ELEMENT MODELING

    PubMed Central

    Ural, Ani; Bruno, Peter; Zhou, Bin; Shi, X. Tony; Guo, X. Edward

    2013-01-01

    A new fracture assessment approach that combines HR-pQCT imaging with fracture mechanics-based finite element modeling was developed to evaluate distal radius fracture load. Twenty distal radius images obtained from postmenopausal women (fracture, n = 10; nonfracture, n = 10) were processed to obtain a cortical and a whole bone model for each subject. The geometrical properties of each model were evaluated and the corresponding fracture load was determined under realistic fall conditions using cohesive finite element modeling. The results showed that the whole bone fracture load can be estimated based on the cortical fracture load for nonfracture (R2 = 0.58, p = 0.01) and pooled data (R2 = 0.48, p < 0.001) but not for the fracture group. The portion of the whole bone fracture load carried by the cortical bone increased with increasing cortical fracture load (R2 ≥ 0.5, p < 0.05) indicating that a more robust cortical bone carries a larger percentage of whole bone fracture load. Cortical thickness was found to be the best predictor of both cortical and whole bone fracture load for all groups (R2 range: 0.49–0.96, p < 0.02) with the exception of fracture group whole bone fracture load showing the predictive capability of cortical geometrical properties in determining whole bone fracture load. Fracture group whole bone fracture load was correlated with trabecular thickness (R2 = 0.4, p < 0.05) whereas the nonfracture and the pooled group did not show any correlation with the trabecular parameters. In summary, this study introduced a new modeling approach that coupled HR-pQCT imaging with fracture mechanics-based finite element simulations, incorporated fracture toughness and realistic fall loading conditions in the models, and showed the significant contribution of the cortical compartment to the overall fracture load of bone. Our results provide more insight into the fracture process in bone and may lead to improved fracture load predictions. PMID:23497802

  1. Multiscale modelling of DNA mechanics

    NASA Astrophysics Data System (ADS)

    Dršata, Tomáš; Lankaš, Filip

    2015-08-01

    Mechanical properties of DNA are important not only in a wide range of biological processes but also in the emerging field of DNA nanotechnology. We review some of the recent developments in modeling these properties, emphasizing the multiscale nature of the problem. Modern atomic resolution, explicit solvent molecular dynamics simulations have contributed to our understanding of DNA fine structure and conformational polymorphism. These simulations may serve as data sources to parameterize rigid base models which themselves have undergone major development. A consistent buildup of larger entities involving multiple rigid bases enables us to describe DNA at more global scales. Free energy methods to impose large strains on DNA, as well as bead models and other approaches, are also briefly discussed.

  2. Microstructure-Based Computational Modeling of Mechanical Behavior of Polymer Micro/Nano Composites

    DTIC Science & Technology

    2013-12-01

    known commercial software like ABAQUS, ProE, Solidworks , and ANSYS. The other method is based on TEM or SEM images of a desired composite. Then the...or in regions of highly localized yielding, which leads to the formation of interpenetrating micro-voids and small fibrils. If an applied tensile...composites (Chawla et al., 1998; Watt et al., 1996). Through extensive observations it is revealed agglomeration and network formation of the particles

  3. Progress in Polarimetric Modeling of Comet Dust Based on its Mechanical Characteristics

    NASA Astrophysics Data System (ADS)

    Kolokolova, Lioudmila; Skorov, Yuri; Blum, Jürgen; Schmidt, Heinrich

    2013-04-01

    Model of comet dust as aggregates of submicron particles (monomers) has proved its reliability by providing a good qualitative fit to the observational data in the visible, near- and thermal infrared. Especially sensitive to the dust properties appeared to be polarization of the scattered light. It provides helpful information concerning structural characteristics of aggregates especially if we combine polarimetric data in the visible and near-infrared. Using Multiple Sphere T-Matrix code (MSTM)by Mackowski and Mishchenko (JQSRT, 112, 2182, 2011) we simulated light scattering by ballistic particle-cluster (BPCA) and cluster-cluster (BCCA) aggregates. It was found that the dependence of polarization on phase angle and wavelength changes significantly at changes in aggregate porosity and size. Comparison with the cometary observations allowed narrowing down the range of porosity of comet dust particles. It was shown that in the case of aggregates made of identical spherical monomers a better fit to the observational data can be achieved if we consider aggregates with the porosity intermediate between the porosity of BPCA and BCCA. In this study we explore aggregates of such an intermediate porosity, modeling them as aggregates of polydisperse monomers or as hierarchic aggregates, i.e. particles resulted from agglomeration of small aggregates. These aggregates have been proved to be a good model to reproduce tensile strength of upper layers of cometary nucleus. Their light-scattering, specifically polarimetric, characteristics reveal porosity and structure of the near-nuclear cometary dust. This, in turn, can shed light on the formation of comets.

  4. A mechanism-based binding model for the population pharmacokinetics and pharmacodynamics of omalizumab

    PubMed Central

    Hayashi, Naoto; Tsukamoto, Yuko; Sallas, William M; Lowe, Philip J

    2007-01-01

    Aim Omalizumab, a humanized IgG monoclonal antibody that binds to human immunoglobulin E (IgE), interrupts the allergic cascade in asthmatic patients. The aim was to compare simultaneously drug exposure and IgE biomarker responses in Japanese and White patient populations. Methods An instantaneous equilibrium drug–ligand binding and turnover population model was built from 202 Japanese patients. A posterior predictive evaluation for the steady-state distributions of omalizumab and IgE was then carried out against 531 White patients. Results The mean parameters estimated from the Japanese patients were as follows: omalizumab clearance 7.32 ± 0.153 ml h−1, IgE clearance 71.0 ± 4.68 ml h−1 and the difference between that for omalizumab and the complex 5.86 ± 0.920 ml h−1, the volume of distribution for omalizumab and IgE 5900 ± 107 ml, and that for the complex 3630 ± 223 ml, the rate of IgE production 30.3 ± 2.04 µg h−1. Half-lives of IgG (23 days) and IgE (2.4 days) were close to previous reports. The dissociation constant for binding, 1.07 nM, was similar to in vitro values. Clearance and volume of distribution for omalizumab varied with bodyweight, whereas the clearance and rate of production of IgE were predicted accurately by baseline IgE. Overall, these covariates explained much of the interindividual variability. Conclusions The predictiveness of the Japanese model was confirmed by Monte-Carlo simulations for a White population, also providing evidence that the pharmacokinetics of omalizumab and IgE were similar in these two populations. Furthermore, the model enabled the estimation of not only omalizumab disposition parameters, but also the binding with and the rate of production, distribution and elimination of its target, IgE. PMID:17096680

  5. Understanding Evapotranspiration Trends and their Driving Mechanisms: An investigation across CONUS based on numerical modeling

    NASA Astrophysics Data System (ADS)

    Parr, D.; Wang, G.; Fu, C.

    2015-12-01

    As shown by climate models, increasing global temperatures and enhanced greenhouse gas concentration such as CO2 have had major effects on the dynamics of the hydrologic cycle and the surface energy budget, in particular, on evapotranspiration (ET). ET has significant decadal variations whether it be regionally or globally and variations of ET have major environmental and socioeconomic impacts. A number of recent studies have found a global increase in annual mean ET around 7mm per year per decade from about 1982 to the late 1990s. These results correspond with what is expected from an intensification of the hydrological cycle. However, the increasing ET trend did not continue after 1998 and from 1998-2008 this global trend was replaced with a decreasing trend of similar magnitude. This study uses numerical modeling to investigate if similar changing ET trends emerge in the continental U.S and part of northern Mexico. After validating model simulated evaporative fluxes and comparing spatial patterns to the aforementioned studies, various changing trends of different signs are identified across the U.S., and specific regions with strong signals of change are chosen for further examination with the purpose of identifying the root causes of these changing trends and which variables are most influential towards change. Experimental simulations conducted to isolate the most influential factors towards ET reveal that precipitation amount as well as its characteristics have the greatest impact on the ET trends discovered, with other factors like wind and air temperatures displaying less influence over inter-annual trends. This study helps better understand terrestrial ET and it's interactions which will help facilitate better predictions of change in surface climate such as heatwaves and droughts as well as impacts on water resources.

  6. Assessment of Quantum Mechanical Models Based on Resolved Orbital Momentum Distributions of n-Butane in the Outer Valence Shell.

    PubMed

    Wang, Feng

    2003-11-27

    Fully resolved outer valence orbital momentum distributions (MDs) of n-butane (C4H10) in the ground electronic state (X1Ag) are studied quantum mechanically using RHF/TZVP, density functional theory (DFT) DFT-BP/TZVP, and B3LYP/TZVP methods. The orbital MDs are simulated to reflect the recent experimental conditions with the plane wave impulse approximation (PWIA) and are compared favorably with the available experimental orbital cross sections. However, the majority of the outer valence molecular orbitals (MOs) of n-butane has been only partially resolved experimentally, forming into three clustered MOs of 7ag + 2bg + 6ag, 2au + 6bu and 1bg + 5bu + 5ag. Deconvolution of the clustered MOs is a challenge experimentally but rather straightforward theoretically, as the inversion is a multiple channel process. The outer valence MOs are crucial to understanding the chemical bonding mechanism and the unresolved outer valence orbitals cause significant bonding information loss. This work provides an orbital based assessment to the quality of the RHF/TZVP, DFT-BP/TZVP, and B3LYP/TZVP models using orbital MD information, by decomposing the clustered outer valence MOs of n-butane, which also reveals the bonding mechanism of the species.

  7. Buckling analysis of multi-layered graphene sheets based on a continuum mechanics model

    NASA Astrophysics Data System (ADS)

    Jandaghian, A. A.; Rahmani, O.

    2017-05-01

    In this paper, buckling analysis of biaxially compressed multi-layered graphene sheets with a continuum plate model is reported. The equations of motion are analytically solved to obtain closed-form solution for buckling loads of all edges simply supported multi-layered graphene sheets. The interaction of van der Waals (vdWs) pressure between the layers is incorporated in the formulation to determine the buckling behavior of simply supported MLGSs. Explicit formulae are derived for predicting the critical buckling loads of double- and triple-layered graphene sheets, and they clearly indicate the effect of vdW interaction on the critical buckling loads. The critical buckling loads are calculated for various numbers of layered graphene sheets, and the obtained results show that the vdW force has no effect on the first critical buckling load of an MLGS, but plays a significant role in all higher first critical buckling loads for all combinations of m and n.

  8. Mechanism of contact angle saturation and an energy-based model for electrowetting

    NASA Astrophysics Data System (ADS)

    Rui, Zhao; Zhong-Cheng, Liang

    2016-06-01

    Electrowetting, as a well-known approach to increasing droplet wettability on a solid surface by electrical bias, has broad applications. However, it is limited by contact angle saturation at large voltage. Although several debated hypotheses have been proposed to describe it, the physical origin of contact angle saturation still remains obscure. In this work, the physical factors responsible for the onset of contact angle saturation are explored, and the correlated theoretical models are established to characterize electrowetting behavior. Combination of the proper 3-phase system employed succeeds in dropping the saturating contact angle below 25°, and validates that the contact angle saturation is not a result of device-related imperfection. Project supported by the Fund from the Research Center of Optical Communications Engineering & Technology, Jiangsu Province, China (Grant No. ZSF0402).

  9. Interface transferring mechanism and error modification of FRP-OFBG strain sensor based on standard linear viscoelastic model

    NASA Astrophysics Data System (ADS)

    Li, Jilong; Zhou, Zhi; Ou, Jinping

    2006-03-01

    This paper presents the interface transferring mechanism and error modification of the Fiber Reinforced Polymer-Optical Fiber Bragg Grating (FRP-OFBG) sensing tendons, which including GFRP (Glass Fiber Reinforced Polymer) and CFRP (Carbon Fiber Reinforced Polymer), using standard linear viscoelastic model. The optical fiber is made up of glass, quartz or plastic, et al, which creep strain is very small at room temperature. So the tensile creep compliance of optical fiber is independent of time at room temperature. On the other hand, the FRP (GFRP or CFRP) is composed of a kind of polymeric matrix (epoxy resins or the others) with glass, carbon or aramid fibers, which shear creep strain is dependent of time at room temperature. Hence, the standard linear viscoelastic model is employed to describe the shear creep compliance of FRP along the fiber direction. The expression of interface strain transferring mechanism of FRP-OFBG sensors is derived based on the linear viscoelastic theory and the analytic solution of the error rate is given by the inverse Laplace transform. The effects of FRP viscoelasticity on the error rate of FRP-OFBG sensing tendons are included in the above expression. And the transient and steady-state error modified coefficient of FRP-OFBG sensors are obtained using initial value and final value theorems. Finally, a calculated example is given to explain the correct of theoretical prediction.

  10. Growth Mechanism of Lipid-Based Nanodiscs -- a Model Membrane for Studying Kinetics of Particle Coalescence

    NASA Astrophysics Data System (ADS)

    Nieh, Mu-Ping; Dizon, Anthony; Li, Ming; Hu, Andrew; Fan, Tai-Hsi

    2012-02-01

    Lipid-based nanodiscs composed of long- and short- chain lipids [namely, dimyristoyl phosphatidylcholine (DMPC), dimyristoyl phosphatidylglycerol (DMPG) and dihexanoyl phosphatidylcholine (DHPC)] constantly form at high lipid concentrations and at low temperatures (i.e., below the melting transition temperature of DMPC, TM). The initial size of these nanodiscs (at high total lipid concentration, CL> 20 wt.%) is relatively uniform and of similar dimension (according to dynamic light scattering and small angle neutron scattering experiments), seemingly independent of thermal history. Upon dilution, the nanodiscs slowly coalesce and grow in size with time irreversibly. Our preliminary result shows that the growth rate strongly depends on several parameters such as charge density, CL and temperature. We have also found that the nanodisc coalescence is a reaction limit instead of diffusion limit process through a time-resolved study.

  11. Automated quantum mechanical total line shape fitting model for quantitative NMR-based profiling of human serum metabolites.

    PubMed

    Mihaleva, Velitchka V; Korhonen, Samuli-Petrus; van Duynhoven, John; Niemitz, Mathias; Vervoort, Jacques; Jacobs, Doris M

    2014-05-01

    An automated quantum mechanical total line shape (QMTLS) fitting model was implemented for quantitative nuclear magnetic resonance (NMR)-based profiling of 42 metabolites in ultrafiltrated human serum samples. Each metabolite was described by a set of chemical shifts, J-couplings, and line widths. These parameters were optimized for each metabolite in each sample by iteratively minimizing the difference between the calculated and the experimental spectrum. In total, 92.0 to 98.1 % of the signal intensities in the experimental spectrum could be explained by the calculated spectrum. The model was validated by comparison to signal integration of metabolites with isolated signals and by means of standard additions. Metabolites present at average concentration higher than 50 μM were quantified with average absolute relative error less than 10 % when using different initial parameters for the fitting procedure. Furthermore, the biological applicability of the QMTLS model was demonstrated on 287 samples from an intervention study in 37 human volunteers undergoing an exercise challenge. Our automated QMTLS model was able to cope with the large dynamic range of metabolite concentrations in serum and proved to be suitable for high-throughput analysis.

  12. A tribo-mechanical analysis of PVA-based building-blocks for implementation in a 2-layered skin model.

    PubMed

    Morales Hurtado, M; de Vries, E G; Zeng, X; van der Heide, E

    2016-09-01

    Poly(vinyl) alcohol hydrogel (PVA) is a well-known polymer widely used in the medical field due to its biocompatibility properties and easy manufacturing. In this work, the tribo-mechanical properties of PVA-based blocks are studied to evaluate their suitability as a part of a structure simulating the length scale dependence of human skin. Thus, blocks of pure PVA and PVA mixed with Cellulose (PVA-Cel) were synthesised via freezing/thawing cycles and their mechanical properties were determined by Dynamic Mechanical Analysis (DMA) and creep tests. The dynamic tests addressed to elastic moduli between 38 and 50kPa for the PVA and PVA-Cel, respectively. The fitting of the creep compliance tests in the SLS model confirmed the viscoelastic behaviour of the samples with retardation times of 23 and 16 seconds for the PVA and PVA-Cel, respectively. Micro indentation tests were also achieved and the results indicated elastic moduli in the same range of the dynamic tests. Specifically, values between 45-55 and 56-81kPa were obtained for the PVA and PVA-Cel samples, respectively. The tribological results indicated values of 0.55 at low forces for the PVA decreasing to 0.13 at higher forces. The PVA-Cel blocks showed lower friction even at low forces with values between 0.2 and 0.07. The implementation of these building blocks in the design of a 2-layered skin model (2LSM) is also presented in this work. The 2LSM was stamped with four different textures and their surface properties were evaluated. The hydration of the 2LSM was also evaluated with a corneometer and the results indicated a gradient of hydration comparable to the human skin.

  13. Evaluation of model-based methods in estimating respiratory mechanics in the presence of variable patient effort.

    PubMed

    Redmond, Daniel P; Chiew, Yeong Shiong; Major, Vincent; Chase, J Geoffrey

    2016-09-23

    Monitoring of respiratory mechanics is required for guiding patient-specific mechanical ventilation settings in critical care. Many models of respiratory mechanics perform poorly in the presence of variable patient effort. Typical modelling approaches either attempt to mitigate the effect of the patient effort on the airway pressure waveforms, or attempt to capture the size and shape of the patient effort. This work analyses a range of methods to identify respiratory mechanics in volume controlled ventilation modes when there is patient effort. The models are compared using 4 Datasets, each with a sample of 30 breaths before, and 2-3 minutes after sedation has been administered. The sedation will reduce patient efforts, but the underlying pulmonary mechanical properties are unlikely to change during this short time. Model identified parameters from breathing cycles with patient effort are compared to breathing cycles that do not have patient effort. All models have advantages and disadvantages, so model selection may be specific to the respiratory mechanics application. However, in general, the combined method of iterative interpolative pressure reconstruction, and stacking multiple consecutive breaths together has the best performance over the Dataset. The variability of identified elastance when there is patient effort is the lowest with this method, and there is little systematic offset in identified mechanics when sedation is administered. Copyright © 2016 Elsevier Ireland Ltd. All rights reserved.

  14. Characterizing the time-course of antihypertensive activity and optimal dose range of fimasartan via mechanism-based population modeling.

    PubMed

    Bulitta, Jürgen B; Paik, Soo Heui; Chi, Yong Ha; Kim, Tae Hwan; Shin, Soyoung; Landersdorfer, Cornelia B; Jiao, Yuanyuan; Yadav, Rajbharan; Shin, Beom Soo

    2017-09-30

    Fimasartan is a novel angiotensin II receptor blocker. Our aims were to characterize the time-course of the antihypertensive activity of fimasartan via a new population pharmacokinetic/pharmacodynamic model and to define its optimal dose range. We simultaneously modelled all fimasartan plasma concentrations and 24-h ambulatory blood pressure monitoring (ABPM) data from 39 patients with essential hypertension and 56 healthy volunteers. Patients received placebo, 20, 60, or 180mg fimasartan every 24h for 28days and healthy volunteers received placebo or 20 to 480mg as a single oral dose or as seven doses every 24h. External validation was performed using data on 560 patients from four phase II or III studies. One turnover model each was used to describe diastolic and systolic blood pressure. The input rates into these compartments followed a circadian rhythm and were inhibited by fimasartan. The average predicted (observed) diastolic blood pressure over 24-h in patients decreased by 10.1±7.5 (12.6±9.2; mean±SD)mmHg for 20mg, 14.2±7.0 (15.1±9.3) mmHg for 60mg, and 15.9±6.8 (11.5±9.9)mmHg for 180mg daily relative to placebo. The model explained the saturation of antihypertensive activity by counter-regulation at high fimasartan concentrations. Drug effect was maximal at approximately 23ng/mL fimasartan for diastolic and 12ng/mL for systolic blood pressure. The proposed mechanism-based population model characterized the circadian rhythm of ABPM data and the antihypertensive effect of fimasartan. After internal and external model validation, 30 to 60mg oral fimasartan given once daily was predicted as optimal dose range. Copyright © 2017. Published by Elsevier B.V.

  15. Development of a mechanism-based pharmacokinetic/pharmacodynamic model to characterize the thermoregulatory effects of serotonergic drugs in mice.

    PubMed

    Jiang, Xi-Ling; Shen, Hong-Wu; Mager, Donald E; Schmidt, Stephan; Yu, Ai-Ming

    2016-09-01

    We have shown recently that concurrent harmaline, a monoamine oxidase-A inhibitor (MAOI), potentiates serotonin (5-HT) receptor agonist 5-methoxy-N,N-dimethyltryptamine (5-MeO-DMT)-induced hyperthermia. The objective of this study was to develop an integrated pharmacokinetic/pharmacodynamic (PK/PD) model to characterize and predict the thermoregulatory effects of such serotonergic drugs in mice. Physiological thermoregulation was described by a mechanism-based indirect-response model with adaptive feedback control. Harmaline-induced hypothermia and 5-MeO-DMT-elicited hyperthermia were attributable to the loss of heat through the activation of 5-HT1A receptor and thermogenesis via the stimulation of 5-HT2A receptor, respectively. Thus serotonergic 5-MeO-DMT-induced hyperthermia was readily distinguished from handling/injection stress-provoked hyperthermic effects. This PK/PD model was able to simultaneously describe all experimental data including the impact of drug-metabolizing enzyme status on 5-MeO-DMT and harmaline PK properties, and drug- and stress-induced simple hypo/hyperthermic and complex biphasic effects. Furthermore, the modeling results revealed a 4-fold decrease of apparent SC50 value (1.88-0.496 µmol/L) for 5-MeO-DMT when harmaline was co-administered, providing a quantitative assessment for the impact of concurrent MAOI harmaline on 5-MeO-DMT-induced hyperthermia. In addition, the hyperpyrexia caused by toxic dose combinations of harmaline and 5-MeO-DMT were linked to the increased systemic exposure to harmaline rather than 5-MeO-DMT, although the body temperature profiles were mispredicted by the model. The results indicate that current PK/PD model may be used as a new conceptual framework to define the impact of serotonergic agents and stress factors on thermoregulation.

  16. Retention models and interaction mechanisms of benzene and other aromatic molecules with an amylose-based sorbent.

    PubMed

    Hsieh, Han-Yu; Wu, Shyuan-Guey; Tsui, Hung-Wei

    2017-04-21

    Stoichiometric displacement models have been widely used for understanding the adsorption mechanisms of solutes in chromatography systems. Such models are used for interpreting plots of solute retention factor versus concentrations of polar modifier in an inert solvent. However, these models often assume that dispersion forces are negligible and they are unable to account for solutes with significant aromatic interactions. In this study, a systematic investigation of the relationship between retention behavior and aromatic groups was performed using five simple aromatic molecules-benzene, naphthalene, mesitylene, durene, and toluene-with a commercially available amylose tris(3,5-dimethylphenylcarbamate)-based sorbent. The enthalpy changes of adsorption, determined from van't Hoff plots, were obtained separately in pure n-hexane and in pure isopropanol (IPA). In pure n-hexane, the solute adsorptions were driven by electrostatic interactions, favoring a T-shaped binding configuration (edge-to-face π-π interaction). The order of enthalpy change indicated the amount of effective T-shaped π-interactions. In pure IPA, solute adsorption was dominated by dispersion forces, favoring a sandwich binding configuration (face-to-face π-π interaction). The adsorption isotherms of toluene revealed that in pure IPA and in pure n-hexane, the isotherms were linear. The results suggested that the high solvent strength of IPA weakened the interactions between aromatic molecules. The retention behavior of the benzene, naphthalene, mesitylene, and durene as a function of IPA concentration was investigated. U-shaped retention curves were found for all aromatic solutes. A new retention model for monovalent aromatic solutes was developed for describing the U-shaped curves. Three key dimensionless groups were revealed to control the retention behavior. The models suggested that solvophobic interactions should be accounted for in the retention models used to investigate the retention

  17. 3D MRI-based anisotropic FSI models with cyclic bending for human coronary atherosclerotic plaque mechanical analysis.

    PubMed

    Tang, Dalin; Yang, Chun; Kobayashi, Shunichi; Zheng, Jie; Woodard, Pamela K; Teng, Zhongzhao; Billiar, Kristen; Bach, Richard; Ku, David N

    2009-06-01

    Heart attack and stroke are often caused by atherosclerotic plaque rupture, which happens without warning most of the time. Magnetic resonance imaging (MRI)-based atherosclerotic plaque models with fluid-structure interactions (FSIs) have been introduced to perform flow and stress/strain analysis and identify possible mechanical and morphological indices for accurate plaque vulnerability assessment. For coronary arteries, cyclic bending associated with heart motion and anisotropy of the vessel walls may have significant influence on flow and stress/strain distributions in the plaque. FSI models with cyclic bending and anisotropic vessel properties for coronary plaques are lacking in the current literature. In this paper, cyclic bending and anisotropic vessel properties were added to 3D FSI coronary plaque models so that the models would be more realistic for more accurate computational flow and stress/strain predictions. Six computational models using one ex vivo MRI human coronary plaque specimen data were constructed to assess the effects of cyclic bending, anisotropic vessel properties, pulsating pressure, plaque structure, and axial stretch on plaque stress/strain distributions. Our results indicate that cyclic bending and anisotropic properties may cause 50-800% increase in maximum principal stress (Stress-P1) values at selected locations. The stress increase varies with location and is higher when bending is coupled with axial stretch, nonsmooth plaque structure, and resonant pressure conditions (zero phase angle shift). Effects of cyclic bending on flow behaviors are more modest (9.8% decrease in maximum velocity, 2.5% decrease in flow rate, 15% increase in maximum flow shear stress). Inclusion of cyclic bending, anisotropic vessel material properties, accurate plaque structure, and axial stretch in computational FSI models should lead to a considerable improvement of accuracy of computational stress/strain predictions for coronary plaque vulnerability

  18. A statistical model for Windstorm Variability over the British Isles based on Large-scale Atmospheric and Oceanic Mechanisms

    NASA Astrophysics Data System (ADS)

    Kirchner-Bossi, Nicolas; Befort, Daniel J.; Wild, Simon B.; Ulbrich, Uwe; Leckebusch, Gregor C.

    2016-04-01

    Time-clustered winter storms are responsible for a majority of the wind-induced losses in Europe. Over last years, different atmospheric and oceanic large-scale mechanisms as the North Atlantic Oscillation (NAO) or the Meridional Overturning Circulation (MOC) have been proven to drive some significant portion of the windstorm variability over Europe. In this work we systematically investigate the influence of different large-scale natural variability modes: more than 20 indices related to those mechanisms with proven or potential influence on the windstorm frequency variability over Europe - mostly SST- or pressure-based - are derived by means of ECMWF ERA-20C reanalysis during the last century (1902-2009), and compared to the windstorm variability for the European winter (DJF). Windstorms are defined and tracked as in Leckebusch et al. (2008). The derived indices are then employed to develop a statistical procedure including a stepwise Multiple Linear Regression (MLR) and an Artificial Neural Network (ANN), aiming to hindcast the inter-annual (DJF) regional windstorm frequency variability in a case study for the British Isles. This case study reveals 13 indices with a statistically significant coupling with seasonal windstorm counts. The Scandinavian Pattern (SCA) showed the strongest correlation (0.61), followed by the NAO (0.48) and the Polar/Eurasia Pattern (0.46). The obtained indices (standard-normalised) are selected as predictors for a windstorm variability hindcast model applied for the British Isles. First, a stepwise linear regression is performed, to identify which mechanisms can explain windstorm variability best. Finally, the indices retained by the stepwise regression are used to develop a multlayer perceptron-based ANN that hindcasted seasonal windstorm frequency and clustering. Eight indices (SCA, NAO, EA, PDO, W.NAtl.SST, AMO (unsmoothed), EA/WR and Trop.N.Atl SST) are retained by the stepwise regression. Among them, SCA showed the highest linear

  19. Effective electric fields along realistic DTI-based neural trajectories for modelling the stimulation mechanisms of TMS

    NASA Astrophysics Data System (ADS)

    De Geeter, N.; Crevecoeur, G.; Leemans, A.; Dupré, L.

    2015-01-01

    In transcranial magnetic stimulation (TMS), an applied alternating magnetic field induces an electric field in the brain that can interact with the neural system. It is generally assumed that this induced electric field is the crucial effect exciting a certain region of the brain. More specifically, it is the component of this field parallel to the neuron’s local orientation, the so-called effective electric field, that can initiate neuronal stimulation. Deeper insights on the stimulation mechanisms can be acquired through extensive TMS modelling. Most models study simple representations of neurons with assumed geometries, whereas we embed realistic neural trajectories computed using tractography based on diffusion tensor images. This way of modelling ensures a more accurate spatial distribution of the effective electric field that is in addition patient and case specific. The case study of this paper focuses on the single pulse stimulation of the left primary motor cortex with a standard figure-of-eight coil. Including realistic neural geometry in the model demonstrates the strong and localized variations of the effective electric field between the tracts themselves and along them due to the interplay of factors such as the tract’s position and orientation in relation to the TMS coil, the neural trajectory and its course along the white and grey matter interface. Furthermore, the influence of changes in the coil orientation is studied. Investigating the impact of tissue anisotropy confirms that its contribution is not negligible. Moreover, assuming isotropic tissues lead to errors of the same size as rotating or tilting the coil with 10 degrees. In contrast, the model proves to be less sensitive towards the not well-known tissue conductivity values.

  20. Effective electric fields along realistic DTI-based neural trajectories for modelling the stimulation mechanisms of TMS.

    PubMed

    De Geeter, N; Crevecoeur, G; Leemans, A; Dupré, L

    2015-01-21

    In transcranial magnetic stimulation (TMS), an applied alternating magnetic field induces an electric field in the brain that can interact with the neural system. It is generally assumed that this induced electric field is the crucial effect exciting a certain region of the brain. More specifically, it is the component of this field parallel to the neuron's local orientation, the so-called effective electric field, that can initiate neuronal stimulation. Deeper insights on the stimulation mechanisms can be acquired through extensive TMS modelling. Most models study simple representations of neurons with assumed geometries, whereas we embed realistic neural trajectories computed using tractography based on diffusion tensor images. This way of modelling ensures a more accurate spatial distribution of the effective electric field that is in addition patient and case specific. The case study of this paper focuses on the single pulse stimulation of the left primary motor cortex with a standard figure-of-eight coil. Including realistic neural geometry in the model demonstrates the strong and localized variations of the effective electric field between the tracts themselves and along them due to the interplay of factors such as the tract's position and orientation in relation to the TMS coil, the neural trajectory and its course along the white and grey matter interface. Furthermore, the influence of changes in the coil orientation is studied. Investigating the impact of tissue anisotropy confirms that its contribution is not negligible. Moreover, assuming isotropic tissues lead to errors of the same size as rotating or tilting the coil with 10 degrees. In contrast, the model proves to be less sensitive towards the not well-known tissue conductivity values.

  1. The Conceptual Mechanism for Viable Organizational Learning Based on Complex System Theory and the Viable System Model

    ERIC Educational Resources Information Center

    Sung, Dia; You, Yeongmahn; Song, Ji Hoon

    2008-01-01

    The purpose of this research is to explore the possibility of viable learning organizations based on identifying viable organizational learning mechanisms. Two theoretical foundations, complex system theory and viable system theory, have been integrated to provide the rationale for building the sustainable organizational learning mechanism. The…

  2. Effect of geometric size on mechanical properties of dielectric elastomers based on an improved visco-hyperelastic film model

    NASA Astrophysics Data System (ADS)

    Chang, Mengzhou; Wang, Zhenqing; Tong, Liyong; Liang, Wenyan

    2017-03-01

    Dielectric polymers show complex mechanical behaviors with different boundary conditions, geometry size and pre-stress. A viscoelastic model suitable for inhomogeneous deformation is presented integrating the Kelvin-Voigt model in a new form in this work. For different types of uniaxial tensile test loading along the length direction of sample, single-step-relaxation tests, loading–unloading tests and tensile–creep–relaxation tests the improved model provides a quite favorable comparison with the experiment results. Moreover, The mechanical properties of test sample with several length–width ratios under different boundary conditions are also invested. The influences of the different boundary conditions are calculated with a stress applied on the boundary point and the result show that the fixed boundary will increase the stress compare with homogeneous deformation. In modeling the effect of pre-stress in the shear test, three pre-stressed mode are discussed. The model validation on the general mechanical behavior shows excellent predictive capability.

  3. Mechanics based model for predicting structure-induced rolling resistance (SRR) of the tire-pavement system

    NASA Astrophysics Data System (ADS)

    Shakiba, Maryam; Ozer, Hasan; Ziyadi, Mojtaba; Al-Qadi, Imad L.

    2016-11-01

    The structure-induced rolling resistance of pavements, and its impact on vehicle fuel consumption, is investigated in this study. The structural response of pavement causes additional rolling resistance and fuel consumption of vehicles through deformation of pavement and various dissipation mechanisms associated with inelastic material properties and damping. Accurate and computationally efficient models are required to capture these mechanisms and obtain realistic estimates of changes in vehicle fuel consumption. Two mechanistic-based approaches are currently used to calculate vehicle fuel consumption as related to structural rolling resistance: dissipation-induced and deflection-induced methods. The deflection-induced approach is adopted in this study, and realistic representation of pavement-vehicle interactions (PVIs) is incorporated. In addition to considering viscoelastic behavior of asphalt concrete layers, the realistic representation of PVIs in this study includes non-uniform three-dimensional tire contact stresses and dynamic analysis in pavement simulations. The effects of analysis type, tire contact stresses, pavement viscoelastic properties, pavement damping coefficients, vehicle speed, and pavement temperature are then investigated.

  4. AV-Based Mechanics

    ERIC Educational Resources Information Center

    Training in Business and Industry, 1974

    1974-01-01

    An individualized study approach to learning the occupation of sewing machine mechanic was developed by Union Special Corporation. The approach utilizes audiovisual aids to a great extent. The time spent in training has been cut from two years to ten weeks. (AG)

  5. A model for wafer scale variation of material removal rate in chemical mechanical polishing based on viscoelastic pad deformation

    NASA Astrophysics Data System (ADS)

    Fu, Guanghui; Chandra, Abhijit

    2002-10-01

    It is well known that within-wafer nonuniformity (WIWNU) due to the variation in material removal rate (MRR) in chemical mechanical polishing (CMP) significantly affects the yield of good dies. The process control for a batch CMP operation is further complicated by wafer-to-wafer nonuniformity (WTWNU) caused by MRR decay when a number of wafers are polished with the same unconditioned pad. Accordingly, the present work focuses on modeling the WIWNU and WTWNU in CMP processes. Various material removal models suggest that the MRR is strongly influenced by the interface pressure. It is also well known that the viscoelastic properties of the pad play an important role in CMP. In the present work, an analytical expression for pressure distribution (and its associated MRR) at the wafer-pad interface for a viscoelastic pad is developed. It is observed that under constant load, which is typical during main polishing in CMP, the spatial distribution of the interface pressure profile may change with time from edge-slow to edge-fast, depending on the combination of wafer curvature, down pressure, and pad properties. For constant displacement operations, the pressure profile retains its edge-slow or edge-fast characteristics over time. The analytical model predictions of MRR based on viscoelastic pad properties also correlate very well to existing experimental observations of MRR decay when an unconditioned pad is used to polish a number of wafers. Based on these observations, it may be conjectured that the viscoelastic material properties of the pad play a primary role in causing the observed MRR decay. The analytical results obtained in the present work can also provide an estimation of evolution of thickness removal distribution over the entire wafer. This may be used for determining the optimum thickness of the overburden material and its polishing time, and for effective control of CMP processes.

  6. Origami based Mechanical Metamaterials

    NASA Astrophysics Data System (ADS)

    Lv, Cheng; Krishnaraju, Deepakshyam; Konjevod, Goran; Yu, Hongyu; Jiang, Hanqing

    2014-08-01

    We describe mechanical metamaterials created by folding flat sheets in the tradition of origami, the art of paper folding, and study them in terms of their basic geometric and stiffness properties, as well as load bearing capability. A periodic Miura-ori pattern and a non-periodic Ron Resch pattern were studied. Unexceptional coexistence of positive and negative Poisson's ratio was reported for Miura-ori pattern, which are consistent with the interesting shear behavior and infinity bulk modulus of the same pattern. Unusually strong load bearing capability of the Ron Resch pattern was found and attributed to the unique way of folding. This work paves the way to the study of intriguing properties of origami structures as mechanical metamaterials.

  7. Origami based Mechanical Metamaterials

    PubMed Central

    Lv, Cheng; Krishnaraju, Deepakshyam; Konjevod, Goran; Yu, Hongyu; Jiang, Hanqing

    2014-01-01

    We describe mechanical metamaterials created by folding flat sheets in the tradition of origami, the art of paper folding, and study them in terms of their basic geometric and stiffness properties, as well as load bearing capability. A periodic Miura-ori pattern and a non-periodic Ron Resch pattern were studied. Unexceptional coexistence of positive and negative Poisson's ratio was reported for Miura-ori pattern, which are consistent with the interesting shear behavior and infinity bulk modulus of the same pattern. Unusually strong load bearing capability of the Ron Resch pattern was found and attributed to the unique way of folding. This work paves the way to the study of intriguing properties of origami structures as mechanical metamaterials. PMID:25099402

  8. Models projecting the fate of fish populations under climate change need to be based on valid physiological mechanisms.

    PubMed

    Lefevre, Sjannie; McKenzie, David J; Nilsson, Göran E

    2017-09-01

    Some recent modelling papers projecting smaller fish sizes and catches in a warmer future are based on erroneous assumptions regarding (i) the scaling of gills with body mass and (ii) the energetic cost of 'maintenance'. Assumption (i) posits that insurmountable geometric constraints prevent respiratory surface areas from growing as fast as body volume. It is argued that these constraints explain allometric scaling of energy metabolism, whereby larger fishes have relatively lower mass-specific metabolic rates. Assumption (ii) concludes that when fishes reach a certain size, basal oxygen demands will not be met, because of assumption (i). We here demonstrate unequivocally, by applying accepted physiological principles with reference to the existing literature, that these assumptions are not valid. Gills are folded surfaces, where the scaling of surface area to volume is not constrained by spherical geometry. The gill surface area can, in fact, increase linearly in proportion to gill volume and body mass. We cite the large body of evidence demonstrating that respiratory surface areas in fishes reflect metabolic needs, not vice versa, which explains the large interspecific variation in scaling of gill surface areas. Finally, we point out that future studies basing their predictions on models should incorporate factors for scaling of metabolic rate and for temperature effects on metabolism, which agree with measured values, and should account for interspecific variation in scaling and temperature effects. It is possible that some fishes will become smaller in the future, but to make reliable predictions the underlying mechanisms need to be identified and sought elsewhere than in geometric constraints on gill surface area. Furthermore, to ensure that useful information is conveyed to the public and policymakers about the possible effects of climate change, it is necessary to improve communication and congruity between fish physiologists and fisheries scientists. © 2017

  9. Outcomes of prolonged mechanic ventilation: a discrimination model based on longitudinal health insurance and death certificate data.

    PubMed

    Lu, Hsin-Ming; Chen, Likwang; Wang, Jung-Der; Hung, Mei-Chuan; Lin, Ming-Shian; Yan, Yuan-Horng; Chen, Cheng-Ren; Fan, Po-Sheng; Huang, Lynn Chu; Kuo, Ken N

    2012-04-25

    This study investigated prognosis among patients under prolonged mechanical ventilation (PMV) through exploring the following issues: (1) post-PMV survival rates, (2) factors associated with survival after PMV, and (3) the number of days alive free of hospital stays requiring mechanical ventilation (MV) care after PMV. This is a retrospective cohort study based on secondary analysis of prospectively collected data in the national health insurance system and governmental data on death registry in Taiwan. It used data for a nationally representative sample of 25,482 patients becoming under PMV (> = 21 days) during 1998-2003. We calculated survival rates for the 4 years after PMV, and adopted logistic regression to construct prediction models for 3-month, 6-month, 1-year, and 2-year survival, with data of 1998-2002 for model estimation and the 2003 data for examination of model performance. We estimated the number of days alive free of hospital stays requiring MV care in the immediate 4-year period after PMV, and contrasted patients who had low survival probability with all PMV patients. Among these patients, the 3-month survival rate was 51.4%, and the 1-year survival rate was 31.9%. Common health conditions with significant associations with poor survival included neoplasm, acute and unspecific renal failure, chronic renal failure, non-alcoholic liver disease, shock and septicaemia (odd ratio < 0.7, p < 0.05). During a 4-year follow-up period for patients of year 2003, the mean number of days free of hospital stays requiring MV was 66.0 in those with a predicted 6-month survival rate < 10%, and 111.3 in those with a predicted 2-year survival rate < 10%. In contrast, the mean number of days was 256.9 in the whole sample of patients in 2003. Neoplasm, acute and unspecific renal failure, shock, chronic renal failure, septicemia, and non-alcoholic liver disease are significantly associated with lower survival among PMV patients. Patients with anticipated death in a near

  10. Correspondence between AXAF TMA X-ray performance and models based upon mechanical and visible light measurements

    NASA Technical Reports Server (NTRS)

    Van Speybroeck, L.; Mckinnon, P. J.; Murray, S. S.; Primini, F. A.; Schwartz, D. A.; Zombeck, M. V.; Dailey, C. C.; Reily, J. C.; Weisskopf, M. C.; Wyman, C. L.

    1986-01-01

    The AXAF Technology Mirror Assembly (TMA) was characterized prior to X-ray testing by properties measured mechanically or with visible light; these include alignment offsets, roundness and global-axial-slope errors, axial-figure errors with characteristic lengths greater than about five mm, and surface roughness with scale lengths between about 0.005 and 0.5 mm. The X-ray data of Schwartz et al. (1985) are compared with predictions based upon the mechanical and visible light measurements.

  11. Correspondence between AXAF TMA X-ray performance and models based upon mechanical and visible light measurements

    NASA Technical Reports Server (NTRS)

    Van Speybroeck, L.; Mckinnon, P. J.; Murray, S. S.; Primini, F. A.; Schwartz, D. A.; Zombeck, M. V.; Dailey, C. C.; Reily, J. C.; Weisskopf, M. C.; Wyman, C. L.

    1986-01-01

    The AXAF Technology Mirror Assembly (TMA) was characterized prior to X-ray testing by properties measured mechanically or with visible light; these include alignment offsets, roundness and global-axial-slope errors, axial-figure errors with characteristic lengths greater than about five mm, and surface roughness with scale lengths between about 0.005 and 0.5 mm. The X-ray data of Schwartz et al. (1985) are compared with predictions based upon the mechanical and visible light measurements.

  12. Finite Element Simulation of Mechanical Behavior of TRIP800 Steel Under Different Loading Conditions Using an Advanced Microstructure-Based Model

    NASA Astrophysics Data System (ADS)

    Hosseinabadi, F.; Rezaee-Bazzaz, A.; Mazinani, M.

    2017-02-01

    The mechanical behavior of a low alloy multiphase TRIP steel has been predicted by an advanced microstructure-based finite element method. A representative volume element chosen based on the actual microstructure has been utilized for simulating the mechanical behavior of the studied steel. The parameters describing the martensitic transformation kinetics have been estimated using both crystallographic and thermodynamic theories of martensitic transformation. The mechanical behavior of each of the constituent phases required for the prediction of mechanical behavior of the studied material has been extracted from those reported in the literature. Comparison of the predicted mechanical behavior of the investigated TRIP800 steel with those reported in the literature shows that there is good agreement between simulated and experimental results. Therefore, it can be said that, the utilized microstructure-based model can be used for the prediction of both mechanical and transformation behaviors of the TRIP800 steels. It is worth noting that all of the parameters used in the model, except the sensitivity of the martensitic transformation to the stress state, can be estimated theoretically; thus, the number of parameters obtained by correlating the simulated and experimental results reduces to one. This is the unique characteristic of the utilized model, which makes the application of the model for simulation of the mechanical behavior of TRIP steels simpler than that of the similar ones.

  13. Modeling Mechanochemical Reaction Mechanisms.

    PubMed

    Adams, Heather; Miller, Brendan P; Furlong, Octavio J; Fantauzzi, Marzia; Navarra, Gabriele; Rossi, Antonella; Xu, Yufu; Kotvis, Peter V; Tysoe, Wilfred T

    2017-08-09

    The mechanochemical reaction between copper and dimethyl disulfide is studied under well-controlled conditions in ultrahigh vacuum (UHV). Reaction is initiated by fast S-S bond scission to form adsorbed methyl thiolate species, and the reaction kinetics are reproduced by two subsequent elementary mechanochemical reaction steps, namely a mechanochemical decomposition of methyl thiolate to deposit sulfur on the surface and evolve small, gas-phase hydrocarbons, and sliding-induced oxidation of the copper by sulfur that regenerates vacant reaction sites. The steady-state reaction kinetics are monitored in situ from the variation in the friction force as the reaction proceeds and modeled using the elementary-step reaction rate constants found for monolayer adsorbates. The analysis yields excellent agreement between the experiment and the kinetic model, as well as correctly predicting the total amount of subsurface sulfur in the film measured using Auger spectroscopy and the sulfur depth distribution measured by angle-resolved X-ray photoelectron spectroscopy.

  14. Genome-based, mechanism-driven computational modeling of risks of ionizing radiation: The next frontier in genetic risk estimation?

    PubMed

    Sankaranarayanan, K; Nikjoo, H

    2015-01-01

    Research activity in the field of estimation of genetic risks of ionizing radiation to human populations started in the late 1940s and now appears to be passing through a plateau phase. This paper provides a background to the concepts, findings and methods of risk estimation that guided the field through the period of its growth to the beginning of the 21st century. It draws attention to several key facts: (a) thus far, genetic risk estimates have been made indirectly using mutation data collected in mouse radiation studies; (b) important uncertainties and unsolved problems remain, one notable example being that we still do not know the sensitivity of human female germ cells to radiation-induced mutations; and (c) the concept that dominated the field thus far, namely, that radiation exposures to germ cells can result in single gene diseases in the descendants of those exposed has been replaced by the concept that radiation exposure can cause DNA deletions, often involving more than one gene. Genetic risk estimation now encompasses work devoted to studies on DNA deletions induced in human germ cells, their expected frequencies, and phenotypes and associated clinical consequences in the progeny. We argue that the time is ripe to embark on a human genome-based, mechanism-driven, computational modeling of genetic risks of ionizing radiation, and we present a provisional framework for catalyzing research in the field in the 21st century.

  15. (Box-filling-model)-based ONU schedule algorithm and bandwidth-requirement-based ONU transfer mechanism for multi-subsystem-based VPONs' management in metro-access optical network

    NASA Astrophysics Data System (ADS)

    Zhang, Yuchao; Gan, Chaoqin; Gou, Kaiyu; Hua, Jian

    2017-07-01

    ONU schedule algorithm and ONU transfer mechanism for multi-subsystem-based VPONs' management is proposed in this paper. To avoid frequent wavelength switch and realize high system stability, ONU schedule algorithm is presented for wavelength allocation by introducing box-filling model. At the same time, judgement mechanism is designed to filter wavelength-increased request caused by slight bandwidth fluctuation of VPON. To share remained bandwidth among VPONs, ONU transfer mechanism is put forward according to flexible wavelength routing. To manage wavelength resource of entire network and wavelength requirement from VPONs, information-managed matrix model is constructed. Finally, the effectiveness of the proposed scheme is demonstrated by simulation and analysis.

  16. Mechanism-based modeling of rebound tachycardia after chronic l-propranolol infusion in spontaneous hypertensive rats.

    PubMed

    Brynne, L; Paalzow, L K; Karlsson, M O

    1999-08-01

    The aims of the study were to characterize the rate and extent of the rebound effect after abrupt cessation of a chronic exposure of l-propranolol in spontaneous hypertensive rats, using exercise-induced tachycardia as a pharmacodynamic endpoint. Thirty-two spontaneous hypertensive rats were randomized to receive either placebo or 4 or 8 mg/kg/day s.c. infusion of l-propranolol for 11 days using osmotic minipumps. The heart rate was measured after standardized physical exercise before and during drug exposure and over 12 days after cessation, using a computerized tail-cuff method. Blood samples were collected after each effect measurement during the infusion. A similar reduction in exercise tachycardia was registered for the two doses. No apparent tolerance development was found, but both doses showed a clear rebound effect of similar extent and intensity. The maximal rebound effect was observed on the second day after cessation and was found to have a duration of about 6 days. A mechanism-based model was developed to describe the rate and extent of changes in beta-adrenoceptor up- and down-regulation with increased sensitivity of the transducer complex. The half-life of disappearance of up-regulated beta-adrenoceptors was estimated to be 2.0 days (1.0-3.9 days). The effect-versus-time data was analyzed by nonlinear mixed-effect modeling with the program NONMEM. A dose-dependent reduction in the growth of body weight was observed during drug treatment, which was reversible. A dose- and time-dependent increase in the alpha(1)-acid glycoprotein concentration was also observed.

  17. A musculo-mechanical model of esophageal transport based on an immersed boundary-finite element approach

    NASA Astrophysics Data System (ADS)

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

    2015-11-01

    This work extends a fiber-based immersed boundary (IB) model of esophageal transport by incorporating a continuum model of the deformable esophageal wall. The continuum-based esophagus model adopts finite element approach that is capable of describing more complex and realistic material properties and geometries. The leakage from mismatch between Lagrangian and Eulerian meshes resulting from large deformations of the esophageal wall is avoided by careful choice of interaction points. The esophagus model, which is described as a multi-layered, fiber-reinforced nonlinear elastic material, is coupled to bolus and muscle-activation models using the IB approach to form the esophageal transport model. Cases of esophageal transport with different esophagus models are studied. Results on the transport characteristics, including pressure field and esophageal wall kinematics and stress, are analyzed and compared. Support from NIH grant R01 DK56033 and R01 DK079902 is gratefully acknowledged. BEG is supported by NSF award ACI 1460334.

  18. Mechanics Model of Plug Welding

    NASA Technical Reports Server (NTRS)

    Zuo, Q. K.; Nunes, A. C., Jr.

    2015-01-01

    An analytical model has been developed for the mechanics of friction plug welding. The model accounts for coupling of plastic deformation (material flow) and thermal response (plastic heating). The model predictions of the torque, energy, and pull force on the plug were compared to the data of a recent experiment, and the agreements between predictions and data are encouraging.

  19. Modelling the graphite fracture mechanisms

    SciTech Connect

    Jacquemoud, C.; Marie, S.; Nedelec, M.

    2012-07-01

    In order to define a design criterion for graphite components, it is important to identify the physical phenomena responsible for the graphite fracture, to include them in a more effective modelling. In a first step, a large panel of experiments have been realised in order to build up an important database; results of tensile tests, 3 and 4 point bending tests on smooth and notched specimens have been analysed and have demonstrated an important geometry related effects on the behavior up to fracture. Then, first simulations with an elastic or an elastoplastic bilinear constitutive law have not made it possible to simulate the experimental fracture stress variations with the specimen geometry, the fracture mechanisms of the graphite being at the microstructural scale. That is the reason why a specific F.E. model of the graphite structure has been developed in which every graphite grain has been meshed independently, the crack initiation along the basal plane of the particles as well as the crack propagation and coalescence have been modelled too. This specific model has been used to test two different approaches for fracture initiation: a critical stress criterion and two criteria of fracture mechanic type. They are all based on crystallographic considerations as a global critical stress criterion gave unsatisfactory results. The criteria of fracture mechanic type being extremely unstable and unable to represent the graphite global behaviour up to the final collapse, the critical stress criterion has been preferred to predict the results of the large range of available experiments, on both smooth and notched specimens. In so doing, the experimental observations have been correctly simulated: the geometry related effects on the experimental fracture stress dispersion, the specimen volume effects on the macroscopic fracture stress and the crack propagation at a constant stress intensity factor. In addition, the parameters of the criterion have been related to

  20. Mechanisms of Hydrocarbon Based Polymer Etch

    NASA Astrophysics Data System (ADS)

    Lane, Barton; Ventzek, Peter; Matsukuma, Masaaki; Suzuki, Ayuta; Koshiishi, Akira

    2015-09-01

    Dry etch of hydrocarbon based polymers is important for semiconductor device manufacturing. The etch mechanisms for oxygen rich plasma etch of hydrocarbon based polymers has been studied but the mechanism for lean chemistries has received little attention. We report on an experimental and analytic study of the mechanism for etching of a hydrocarbon based polymer using an Ar/O2 chemistry in a single frequency 13.56 MHz test bed. The experimental study employs an analysis of transients from sequential oxidation and Ar sputtering steps using OES and surface analytics to constrain conceptual models for the etch mechanism. The conceptual model is consistent with observations from MD studies and surface analysis performed by Vegh et al. and Oehrlein et al. and other similar studies. Parameters of the model are fit using published data and the experimentally observed time scales.

  1. Using isotope-based climate proxies and model simulations to diagnose drought mechanisms in the western US

    NASA Astrophysics Data System (ADS)

    Buenning, N. H.; Kanner, L. C.; Stott, L. D.; Yoshimura, K.

    2012-12-01

    Wintertime precipitation in the western US is a significant aspect of the region's water resources because of the ability of mountain snowpack to naturally store cold season precipitation and release the moisture via snowmelt and runoff. Protracted periods of drought in the western US are typically a result of decreases in precipitation during winter months. The use of the 18O/16O composition of precipitation (δ18Op) could prove valuable in determining mechanisms responsible for past drought because the isotopes track changes in moisture source on synoptic timescales and condensation height on subannual timescales. It has also been hypothesized that δ18Op reflects the fraction of precipitation that falls as snow within a given season. Consequently, δ18Op (as may be recorded in proxies such as tree cellulose) could provide climatic information that cannot be obtained from other proxies such as tree-ring widths. This study uses isotope based climate proxies from tree cellulose to better understand the cause of past declines in winter precipitation in the western US. In particular, we examine interannual variations in the 18O/16O composition of tree cellulose (δ18Oc) taken from 5 bristlecone pine trees in the White Mountains of eastern California, which capture precipitation δ18O values. Simulations of the Isotope-incorporated Global Spectral Model (IsoGSM) are used to interpret the cellulose isotope record. The simulations reveal that interannual δ18Op variations are strongly influenced by condensation height, and secondarily impacted by moisture source. Possible dynamical mechanisms that lead to dry intervals are assessed using this interpretation of the bristlecone δ18Oc records. For example, one of the most robust features of the 5 chronologies is a local minimum in δ18Oc during 1970, which was a year prior to drought (1971-1972). Indeed, results from IsoGSM "tagging" simulations suggest that δ18Oc rose during the drought years because moisture condensed

  2. Mechanism test bed. Flexible body model report

    NASA Technical Reports Server (NTRS)

    Compton, Jimmy

    1991-01-01

    The Space Station Mechanism Test Bed is a six degree-of-freedom motion simulation facility used to evaluate docking and berthing hardware mechanisms. A generalized rigid body math model was developed which allowed the computation of vehicle relative motion in six DOF due to forces and moments from mechanism contact, attitude control systems, and gravity. No vehicle size limitations were imposed in the model. The equations of motion were based on Hill's equations for translational motion with respect to a nominal circular earth orbit and Newton-Euler equations for rotational motion. This rigid body model and supporting software were being refined.

  3. [Proposed model of vascular trauma by mean of mechanical characterization of endovascular prostheses (stents) based on structural analysis by FEA].

    PubMed

    Bustamante, John; Uribe, Pablo; Sosa, Mauricio; Valencia, Raúl

    2016-01-01

    The accumulated evidence on angioplasty techniques with stents has raised a controversy about the factors that influence the final vascular response. Indeed, several studies have shown there might be re-stenosis between 30% to 40% about 6 months after placement, relating to the design of the device as one of the main causes. This paper proposes the functional characterization of endovascular stents, analyzing its mechanical influence in the vascular system and predicting implicit traumatic factors in the vessel. A structural analysis was made for several computational models of endovascular stents using Finite Element Analysis in order to predict the mechanical behavior and the vascular trauma. In this way, the stents were considered as tubular devices composed of multiple links under radial pressure loads, reflecting stress concentration effects. The analysis allowed to visualize how the geometry of stents is adjusted under several load conditions, in order to obtain the response of "solid-solid" interaction between the stent and the arterial wall. Thus, an analysis was performed in order to calculate stress, and a conceptual model that explains its mechanical impact on the stent-vessel interaction, was raised, to infer on the functionality from the design of the devices. The proposed conceptual model allows to determine the relationship between the conditions of mechanical interaction of the stents, and warns about the effects in what would be the operation of the device on the vascular environment. Copyright © 2016 Instituto Nacional de Cardiología Ignacio Chávez. Publicado por Masson Doyma México S.A. All rights reserved.

  4. Monitoring of intratidal lung mechanics: a Graphical User Interface for a model-based decision support system for PEEP-titration in mechanical ventilation.

    PubMed

    Buehler, S; Lozano-Zahonero, S; Schumann, S; Guttmann, J

    2014-12-01

    In mechanical ventilation, a careful setting of the ventilation parameters in accordance with the current individual state of the lung is crucial to minimize ventilator induced lung injury. Positive end-expiratory pressure (PEEP) has to be set to prevent collapse of the alveoli, however at the same time overdistension should be avoided. Classic approaches of analyzing static respiratory system mechanics fail in particular if lung injury already prevails. A new approach of analyzing dynamic respiratory system mechanics to set PEEP uses the intratidal, volume-dependent compliance which is believed to stay relatively constant during one breath only if neither atelectasis nor overdistension occurs. To test the success of this dynamic approach systematically at bedside or in an animal study, automation of the computing steps is necessary. A decision support system for optimizing PEEP in form of a Graphical User Interface (GUI) was targeted. Respiratory system mechanics were analyzed using the gliding SLICE method. The resulting shapes of the intratidal compliance-volume curve were classified into one of six categories, each associated with a PEEP-suggestion. The GUI should include a graphical representation of the results as well as a quality check to judge the reliability of the suggestion. The implementation of a user-friendly GUI was successfully realized. The agreement between modelled and measured pressure data [expressed as root-mean-square (RMS)] tested during the implementation phase with real respiratory data from two patient studies was below 0.2 mbar for data taken in volume controlled mode and below 0.4 mbar for data taken in pressure controlled mode except for two cases with RMS < 0.6 mbar. Visual inspections showed, that good and medium quality data could be reliably identified. The new GUI allows visualization of intratidal compliance-volume curves on a breath-by-breath basis. The automatic categorisation of curve shape into one of six shape

  5. Dynamic mechanical response and a constitutive model of Fe-based high temperature alloy at high temperatures and strain rates.

    PubMed

    Su, Xiang; Wang, Gang; Li, Jianfeng; Rong, Yiming

    2016-01-01

    The effects of strain rate and temperature on the dynamic behavior of Fe-based high temperature alloy was studied. The strain rates were 0.001-12,000 s(-1), at temperatures ranging from room temperature to 800 °C. A phenomenological constitutive model (Power-Law constitutive model) was proposed considering adiabatic temperature rise and accurate material thermal physical properties. During which, the effects of the specific heat capacity on the adiabatic temperature rise was studied. The constitutive model was verified to be accurate by comparison between predicted and experimental results.

  6. An absorption mechanism and polarity-induced viscosity model for CO2 capture using hydroxypyridine-based ionic liquids.

    PubMed

    An, Xiaowei; Du, Xiao; Duan, Donghong; Shi, Lijuan; Hao, Xiaogang; Lu, Houfang; Guan, Guoqing; Peng, Changjun

    2017-01-04

    A series of new hydroxypyridine-based ionic liquids (ILs) are synthesized and applied in CO2 capture through chemical absorption, in which one IL, i.e., tetrabutylphosphonium 2-hydroxypyridine ([P4444][2-Op]), shows a viscosity as low as 193 cP with an absorption capacity as high as 1.20 mol CO2 per mol IL. Because the traditional anion-CO2 absorption mechanism cannot provide an explanation for the influences of cations and temperature on CO2 absorption capacity, herein, a novel cation-participating absorption mechanism based on the proton transfer is proposed to explain the high absorption capacity and the existence of a turning point of absorption capacity with the increase of temperature for the capture of CO2 using [P4444][n-Op] (n = 2, 3, 4) ILs. Also, the relationship between the viscosity of ILs and the linear interaction energy is proposed for the first time, which can guide how to design and synthesize ILs with low viscosity. Quantum chemistry calculations, which are based on the comprehensive analysis of dipole moment, cation-anion interaction energy and surface electrostatic potential, indicate that the different viscosities of hydroxypyridine-based ILs and the changes after CO2 absorption mainly resulted from the different distribution of negative charges in the anion.

  7. Fundamental Study on Applicability of Powder-Based 3D Printer for Physical Modeling in Rock Mechanics

    NASA Astrophysics Data System (ADS)

    Fereshtenejad, Sayedalireza; Song, Jae-Joon

    2016-06-01

    Applications of 3D printing technology become more widespread in many research fields because of its rapid development and valuable capabilities. In rock mechanics and mining engineering, this technology has the potential to become a useful tool that might help implement a number of research studies previously considered impractical. Most commercial 3D printers cannot print prototypes with mechanical properties that match precisely those of natural rock samples. Therefore, some additional enhancements are required for 3D printers to be effectively utilized for rock mechanics applications. In this study, we printed and studied specimens using a powder-based commercial ZPrinter® 450 with ZP® 150 powder and Zb® 63 binder used as raw materials. The specimens printed by this 3D printer exhibited relatively low strength and ductile behavior, implying that it needs further improvements. Hence, we focused on several ways to determine the best combination of printing options and post-processing including the effects of the printing direction, printing layer thickness, binder saturation level, and heating process on the uniaxial compressive strength (UCS) and stress-strain behavior of the printed samples. The suggested procedures have demonstrated their effectiveness by obtaining the printed samples that behave similarly to the natural rocks with low UCS. Although our optimization methods were particularly successful, further improvements are required to expand 3D printer application in the area of rock mechanics.

  8. Length-scale dependent mechanical properties of Al-Cu eutectic alloy: Molecular dynamics based model and its experimental verification

    SciTech Connect

    Tiwary, C. S. Chattopadhyay, K.; Chakraborty, S.; Mahapatra, D. R.

    2014-05-28

    This paper attempts to gain an understanding of the effect of lamellar length scale on the mechanical properties of two-phase metal-intermetallic eutectic structure. We first develop a molecular dynamics model for the in-situ grown eutectic interface followed by a model of deformation of Al-Al{sub 2}Cu lamellar eutectic. Leveraging the insights obtained from the simulation on the behaviour of dislocations at different length scales of the eutectic, we present and explain the experimental results on Al-Al{sub 2}Cu eutectic with various different lamellar spacing. The physics behind the mechanism is further quantified with help of atomic level energy model for different length scale as well as different strain. An atomic level energy partitioning of the lamellae and the interface regions reveals that the energy of the lamellae core are accumulated more due to dislocations irrespective of the length-scale. Whereas the energy of the interface is accumulated more due to dislocations when the length-scale is smaller, but the trend is reversed when the length-scale is large beyond a critical size of about 80 nm.

  9. Neural mechanisms underlying the effects of face-based affective signals on memory for faces: a tentative model

    PubMed Central

    Tsukiura, Takashi

    2012-01-01

    In our daily lives, we form some impressions of other people. Although those impressions are affected by many factors, face-based affective signals such as facial expression, facial attractiveness, or trustworthiness are important. Previous psychological studies have demonstrated the impact of facial impressions on remembering other people, but little is known about the neural mechanisms underlying this psychological process. The purpose of this article is to review recent functional MRI (fMRI) studies to investigate the effects of face-based affective signals including facial expression, facial attractiveness, and trustworthiness on memory for faces, and to propose a tentative concept for understanding this affective-cognitive interaction. On the basis of the aforementioned research, three brain regions are potentially involved in the processing of face-based affective signals. The first candidate is the amygdala, where activity is generally modulated by both affectively positive and negative signals from faces. Activity in the orbitofrontal cortex (OFC), as the second candidate, increases as a function of perceived positive signals from faces; whereas activity in the insular cortex, as the third candidate, reflects a function of face-based negative signals. In addition, neuroscientific studies have reported that the three regions are functionally connected to the memory-related hippocampal regions. These findings suggest that the effects of face-based affective signals on memory for faces could be modulated by interactions between the regions associated with the processing of face-based affective signals and the hippocampus as a memory-related region. PMID:22837740

  10. Molecular interaction fields vs. quantum-mechanical-based descriptors in the modelling of lipophilicity of platinum(IV) complexes.

    PubMed

    Ermondi, Giuseppe; Caron, Giulia; Ravera, Mauro; Gabano, Elisabetta; Bianco, Sabrina; Platts, James A; Osella, Domenico

    2013-03-14

    We report QSAR calculations using VolSurf descriptors to model the lipophilicity of 53 Pt(iv) complexes with a diverse range of axial and equatorial ligands. Lipophilicity is measured using an efficient HPLC method. Previous models based on a subset of these data are shown to be inadequate, due to incompatibility of whole molecule descriptors between carboxylato and hydroxido ligands. Instead, the interaction surfaces of complexes with various probes are used as independent descriptors. Partial least squares modelling using three latent variables results in an accurate (R(2) = 0.92) and robust model (Q(2) = 0.87) of lipophilicity, that moreover highlights the importance of size and hydrophobicity terms and the modest relevance of hydrogen bonding.

  11. A density-functional-theory-based finite element model to study the mechanical properties of zigzag phosphorene nanotubes

    NASA Astrophysics Data System (ADS)

    Ansari, R.; Shahnazari, A.; Rouhi, S.

    2017-04-01

    In this paper, the density functional theory calculations are used to obtain the elastic properties of zigzag phosphorene nanotubes. Besides, based on the similarity between phosphorene nanotubes and a space-frame structure, a three-dimensional finite element model is proposed in which the atomic bonds are simulated by beam elements. The results of density functional theory are employed to compute the properties of the beam elements. Finally, using the proposed finite element model, the elastic modulus of the zigzag phosphorene nanotubes is computed. It is shown that phosphorene nanotubes with larger radii have larger Young's modulus. Comparing the results of finite element model with those of density functional theory, it is concluded that the proposed model can predict the elastic modulus of phosphorene nanotubes with a good accuracy.

  12. Closed-loop EMG-informed model-based analysis of human musculoskeletal mechanics on rough terrains.

    PubMed

    Varotto, C; Sawacha, Z; Gizzi, L; Farina, D; Sartori, M

    2017-07-01

    This work aims at estimating the musculoskeletal forces acting in the human lower extremity during locomotion on rough terrains. We employ computational models of the human neuro-musculoskeletal system that are informed by multi-modal movement data including foot-ground reaction forces, 3D marker trajectories and lower extremity electromyograms (EMG). Data were recorded from one healthy subject locomoting on rough grounds realized using foam rubber blocks of different heights. Blocks arrangement was randomized across all locomotion trials to prevent adaptation to specific ground morphology. Data were used to generate subject-specific models that matched an individual's anthropometry and force-generating capacity. EMGs enabled capturing subject- and ground-specific muscle activation patterns employed for walking on the rough grounds. This allowed integrating realistic activation patterns in the forward dynamic simulations of the musculoskeletal system. The ability to accurately predict the joint mechanical forces necessary to walk on different terrains have implications for our understanding of human movement but also for developing intuitive human machine interfaces for wearable exoskeletons or prosthetic limbs that can seamlessly adapt to different mechanical demands matching biological limb performance.

  13. Generation mechanism of slow earthquakes: Numerical analysis based on a dynamic model with brittle-ductile mixed fault heterogeneity

    NASA Astrophysics Data System (ADS)

    Nakata, Ryoko; Ando, Ryosuke; Hori, Takane; Ide, Satoshi

    2011-08-01

    Various characteristics have been discovered for small, slow earthquakes occurring along subduction zones, which are deep nonvolcanic tremor, low-frequency earthquakes (LFEs), and very low frequency earthquakes (VLFs). In this study, we model these slow earthquakes using a dynamic model consisting of a cluster of frictionally unstable patches on a stable background. The controlling parameters in our model are related to the patch distribution and the viscosity of both the patches and the background. By decreasing patch density or increasing viscosity, we observed the transition in rupture propagation mechanism, that is, from fast elastodynamic interactions characterized by an elastic wave propagation to slow diffusion limited by viscous relaxation times of traction on fault patches and/or background. Some sets of these geometrical and frictional parameters collectively explain the moment rate functions, source spectra, and scaled energy of observed slow earthquakes. In addition, we successfully explain both parabolic and constant velocity migrations in the case of the diffusion-limited rupture. Therefore, the observed various characteristics of tremor, LFEs, VLFs, and, potentially, slow slip events, may be essentially explained by our simple model with a few parameters describing source structures and frictional properties of brittle-ductile transition zones along plate boundaries.

  14. Mechanical integrity of a carbon nanotube/copper-based through-silicon via for 3D integrated circuits: a multi-scale modeling approach

    NASA Astrophysics Data System (ADS)

    Awad, Ibrahim; Ladani, Leila

    2015-12-01

    Carbon nanotube (CNT)/copper (Cu) composite material is proposed to replace Cu-based through-silicon vias (TSVs) in micro-electronic packages. The proposed material is believed to offer extraordinary mechanical and electrical properties and the presence of CNTs in Cu is believed to overcome issues associated with miniaturization of Cu interconnects, such as electromigration. This study introduces a multi-scale modeling of the proposed TSV in order to evaluate its mechanical integrity under mechanical and thermo-mechanical loading conditions. Molecular dynamics (MD) simulation was used to determine CNT/Cu interface adhesion properties. A cohesive zone model (CZM) was found to be most appropriate to model the interface adhesion, and CZM parameters at the nanoscale were determined using MD simulation. CZM parameters were then used in the finite element analysis in order to understand the mechanical and thermo-mechanical behavior of composite TSV at micro-scale. From the results, CNT/Cu separation does not take place prior to plastic deformation of Cu in bending, and separation does not take place when standard thermal cycling is applied. Further investigation is recommended in order to alleviate the increased plastic deformation in Cu at the CNT/Cu interface in both loading conditions.

  15. Mechanical integrity of a carbon nanotube/copper-based through-silicon via for 3D integrated circuits: a multi-scale modeling approach.

    PubMed

    Awad, Ibrahim; Ladani, Leila

    2015-12-04

    Carbon nanotube (CNT)/copper (Cu) composite material is proposed to replace Cu-based through-silicon vias (TSVs) in micro-electronic packages. The proposed material is believed to offer extraordinary mechanical and electrical properties and the presence of CNTs in Cu is believed to overcome issues associated with miniaturization of Cu interconnects, such as electromigration. This study introduces a multi-scale modeling of the proposed TSV in order to evaluate its mechanical integrity under mechanical and thermo-mechanical loading conditions. Molecular dynamics (MD) simulation was used to determine CNT/Cu interface adhesion properties. A cohesive zone model (CZM) was found to be most appropriate to model the interface adhesion, and CZM parameters at the nanoscale were determined using MD simulation. CZM parameters were then used in the finite element analysis in order to understand the mechanical and thermo-mechanical behavior of composite TSV at micro-scale. From the results, CNT/Cu separation does not take place prior to plastic deformation of Cu in bending, and separation does not take place when standard thermal cycling is applied. Further investigation is recommended in order to alleviate the increased plastic deformation in Cu at the CNT/Cu interface in both loading conditions.

  16. A model-based approach to investigating the pathophysiological mechanisms of hypertension and response to antihypertensive therapies: extending the Guyton model.

    PubMed

    Hallow, K Melissa; Lo, Arthur; Beh, Jeni; Rodrigo, Manoj; Ermakov, Sergey; Friedman, Stuart; de Leon, Hector; Sarkar, Anamika; Xiong, Yuan; Sarangapani, Ramesh; Schmidt, Henning; Webb, Randy; Kondic, Anna Georgieva

    2014-05-01

    Reproducibly differential responses to different classes of antihypertensive agents are observed among hypertensive patients and may be due to interindividual differences in hypertension pathology. Computational models provide a tool for investigating the impact of underlying disease mechanisms on the response to antihypertensive therapies with different mechanisms of action. We present the development, calibration, validation, and application of an extension of the Guyton/Karaaslan model of blood pressure regulation. The model incorporates a detailed submodel of the renin-angiotensin-aldosterone system (RAAS), allowing therapies that target different parts of this pathway to be distinguished. Literature data on RAAS biomarker and blood pressure responses to different classes of therapies were used to refine the physiological actions of ANG II and aldosterone on renin secretion, renal vascular resistance, and sodium reabsorption. The calibrated model was able to accurately reproduce the RAAS biomarker and blood pressure responses to combinations of dual-RAAS agents, as well as RAAS therapies in combination with diuretics or calcium channel blockers. The final model was used to explore the impact of underlying mechanisms of hypertension on the blood pressure response to different classes of antihypertensive agents. Simulations indicate that the underlying etiology of hypertension can impact the magnitude of response to a given class of therapy, making a patient more sensitive to one class and less sensitive others. Given that hypertension is usually the result of multiple mechanisms, rather than a single factor, these findings yield insight into why combination therapy is often required to adequately control blood pressure.

  17. Identification of the primary mechanism of action of an insulin secretagogue from meal test data in healthy volunteers based on an integrated glucose-insulin model.

    PubMed

    Choy, Steve; Hénin, Emilie; van der Walt, Jan-Stefan; Kjellsson, Maria C; Karlsson, Mats O

    2013-02-01

    The integrated glucose-insulin (IGI) model is a previously developed semi-mechanistic model that incorporates control mechanisms for the regulation of glucose production, insulin secretion, and glucose uptake. It has been shown to adequately describe insulin and glucose profiles in both type 2 diabetics and healthy volunteers following various glucose tolerance tests. The aim of this study was to investigate the ability of the IGI model to correctly identify the primary mechanism of action of glibenclamide (Gb), based on meal tolerance test (MTT) data in healthy volunteers. IGI models with different mechanism of drug action were applied to data from eight healthy volunteers participating in a randomized crossover study with five single-dose tests (placebo and four drug arms). The study participants were given 3.5 mg of Gb, intravenously or orally, or 3.5 mg of the two main metabolites M1 and M2 intravenously, 0.5 h prior to a standardized breakfast with energy content of 1800 kJ. Simultaneous analysis of all data by nonlinear mixed effect modeling was performed using NONMEM(®). Drug effects that increased insulin secretion resulted in the best model fit, thus identifying the primary mechanism of action of Gb and metabolites as insulin secretagogues. The model also quantified the combined effect of Gb, M1 and M2 to have a fourfold maximal increase on endogenous insulin secretion, with an EC(50) of 169.1 ng mL(-1) for Gb, 151.4 ng mL(-1) for M1 and 267.1 ng mL(-1) for M2. The semi-mechanistic IGI model was successfully applied to MTT data and identified the primary mechanism of action for Gb, quantifying its effects on glucose and insulin time profiles.

  18. Standardization of seismic tomographic models and earthquake focal mechanisms data sets based on web technologies, visualization with keyhole markup language

    NASA Astrophysics Data System (ADS)

    Postpischl, Luca; Danecek, Peter; Morelli, Andrea; Pondrelli, Silvia

    2011-01-01

    We present two projects in seismology that have been ported to web technologies, which provide results in Keyhole Markup Language (KML) visualization layers. These use the Google Earth geo-browser as the flexible platform that can substitute specialized graphical tools to perform qualitative visual data analyses and comparisons. The Network of Research Infrastructures for European Seismology (NERIES) Tomographic Earth Model Repository contains data sets from over 20 models from the literature. A hierarchical structure of folders that represent the sets of depths for each model is implemented in KML, and this immediately results into an intuitive interface for users to navigate freely and to compare tomographic plots. The KML layer for the European-Mediterranean Regional Centroid-Moment Tensor Catalog displays the focal mechanism solutions or moderate-magnitude Earthquakes from 1997 to the present. Our aim in both projects was to also propose standard representations of scientific data sets. Here, the general semantic approach of an XML framework has an important impact that must be further explored, although we find the KML syntax to more emphasis on aspects of detailed visualization. We have thus used, and propose the use of, Javascript Object Notation (JSON), another semantic notation that stems from the web-development community that provides a compact, general-purpose, data-exchange format.

  19. Spinal mechanisms may provide a combination of intermittent and continuous control of human posture: predictions from a biologically based neuromusculoskeletal model.

    PubMed

    Elias, Leonardo Abdala; Watanabe, Renato Naville; Kohn, André Fabio

    2014-11-01

    Several models have been employed to study human postural control during upright quiet stance. Most have adopted an inverted pendulum approximation to the standing human and theoretical models to account for the neural feedback necessary to keep balance. The present study adds to the previous efforts in focusing more closely on modelling the physiological mechanisms of important elements associated with the control of human posture. This paper studies neuromuscular mechanisms behind upright stance control by means of a biologically based large-scale neuromusculoskeletal (NMS) model. It encompasses: i) conductance-based spinal neuron models (motor neurons and interneurons); ii) muscle proprioceptor models (spindle and Golgi tendon organ) providing sensory afferent feedback; iii) Hill-type muscle models of the leg plantar and dorsiflexors; and iv) an inverted pendulum model for the body biomechanics during upright stance. The motor neuron pools are driven by stochastic spike trains. Simulation results showed that the neuromechanical outputs generated by the NMS model resemble experimental data from subjects standing on a stable surface. Interesting findings were that: i) an intermittent pattern of muscle activation emerged from this posture control model for two of the leg muscles (Medial and Lateral Gastrocnemius); and ii) the Soleus muscle was mostly activated in a continuous manner. These results suggest that the spinal cord anatomy and neurophysiology (e.g., motor unit types, synaptic connectivities, ordered recruitment), along with the modulation of afferent activity, may account for the mixture of intermittent and continuous control that has been a subject of debate in recent studies on postural control. Another finding was the occurrence of the so-called "paradoxical" behaviour of muscle fibre lengths as a function of postural sway. The simulations confirmed previous conjectures that reciprocal inhibition is possibly contributing to this effect, but on the

  20. Structural hysteresis model of transmitting mechanical systems

    NASA Astrophysics Data System (ADS)

    Ruderman, M.; Bertram, T.

    2015-02-01

    We present a structural hysteresis model which describes the dynamic behavior of transmitting mechanical systems with a hysteretic spring and damped bedstop element, both connected in series. From the application point view this approach can be used for predicting the transmitted mechanical force based only on the known kinematic excitation. Using the case study of an elastic gear transmission we show and identify a hysteresis response which multivariate behavior depends on an internal state of the bedstop motion.

  1. 3D Progressive Damage Modeling for Laminated Composite Based on Crack Band Theory and Continuum Damage Mechanics

    NASA Technical Reports Server (NTRS)

    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.

  2. Development of a new physics-based internal coordinate mechanics force field (ICMFF) and its application to protein loop modeling

    PubMed Central

    Arnautova, Yelena A.; Abagyan, Ruben A.

    2010-01-01

    We report the development of ICMFF, new force field parameterized using a combination of experimental data for crystals of small molecules and quantum mechanics calculations. The main features of ICMFF include: (a) parameterization for the dielectric constant relevant to the condensed state (ε=2) instead of vacuum; (b) an improved description of hydrogen-bond interactions using duplicate sets of van der Waals parameters for heavy atom-hydrogen interactions; and (c) improved backbone covalent geometry and energetics achieved using novel backbone torsional potentials and inclusion of the bond angles at the Cα atoms into the internal variable set. The performance of ICMFF was evaluated through loop modeling simulations for 4-13 residue loops. ICMFF was combined with a solvent-accessible surface area solvation model optimized using a large set of loop decoys. Conformational sampling was carried out using the Biased Probability Monte Carlo method. Average/median backbone root-mean-square deviations of the lowest energy conformations from the native structures were 0.25/0.21 Å for 4 residues loops, 0.84/0.46 Å for 8 residue loops, and 1.16/0.73 Å for 12 residue loops. To our knowledge, these results are significantly better than or comparable to those reported to date for any loop modeling method that does not take crystal packing into account. Moreover, the accuracy of our method is on par with the best previously reported results obtained considering the crystal environment. We attribute this success to the high accuracy of the new ICM force field achieved by meticulous parameterization, to the optimized solvent model, and the efficiency of the search method. PMID:21069716

  3. Transport Mechanisms and Quality Changes During Frying of Chicken Nuggets--Hybrid Mixture Theory Based Modeling and Experimental Verification.

    PubMed

    Bansal, Harkirat S; Takhar, Pawan S; Alvarado, Christine Z; Thompson, Leslie D

    2015-12-01

    Hybrid mixture theory (HMT) based 2-scale fluid transport relations of Takhar coupled with a multiphase heat transfer equation were solved to model water, oil and gas movement during frying of chicken nuggets. A chicken nugget was treated as a heterogeneous material consisting of meat core with wheat-based coating. The coupled heat and fluid transfer equations were solved using the finite element method. Numerical simulations resulted in data on spatial and temporal profiles for moisture, rate of evaporation, temperature, oil, pore pressure, pressure in various phases, and coefficient of elasticity. Results showed that most of the oil stayed in the outer 1.5 mm of the coating region. Temperature values greater than 100 °C were observed in the coating after 30 s of frying. Negative gage-pore pressure (p(w) < p(g)) magnitudes were observed in simulations, which is in agreement with experimental observations of Sandhu and others. It is hypothesized that high water-phase capillary pressure (p(c) > p(g)) in the hydrophilic matrix causes p(w) < p(g), which further results in negative pore pressure. The coefficient of elasticity was the highest at the surface (2.5 × 10(5) Pa) for coating and the interface of coating and core (6 × 10(5) Pa). Kinetics equation for color change obtained from experiments was coupled with the HMT based model to predict the color (L, a, and b) as a function of frying time.

  4. Architecture-based multiscale computational modeling of plant cell wall mechanics to examine the hydrogen-bonding hypothesis of cell wall network structure model

    SciTech Connect

    Yi, Hojae; Puri, Virendra M.

    2012-11-01

    A primary plant cell wall network was computationally modeled using the finite element approach to study the hypothesis of hemicellulose (HC) tethering with the cellulose microfibrils (CMFs) as one of the major load-bearing mechanisms of the growing cell wall. A computational primary cell wall network fragment (10 × 10 μm) comprising typical compositions and properties of CMFs and HC was modeled with well-aligned CMFs. The tethering of HC to CMFs is modeled in accordance with the strength of the hydrogen bonding by implementing a specific load-bearing connection (i.e. the joint element). The introduction of the CMF-HC interaction to the computational cell wall network model is a key to the quantitative examination of the mechanical consequences of cell wall structure models, including the tethering HC model. When the cell wall network models with and without joint elements were compared, the hydrogen bond exhibited a significant contribution to the overall stiffness of the cell wall network fragment. When the cell wall network model was stretched 1% in the transverse direction, the tethering of CMF-HC via hydrogen bonds was not strong enough to maintain its integrity. When the cell wall network model was stretched 1% in the longitudinal direction, the tethering provided comparable strength to maintain its integrity. This substantial anisotropy suggests that the HC tethering with hydrogen bonds alone does not manifest sufficient energy to maintain the integrity of the cell wall during its growth (i.e. other mechanisms are present to ensure the cell wall shape).

  5. Simulation of boron, phosphorus, and arsenic diffusion in silicon based on an integrated diffusion model, and the anomalous phosphorus diffusion mechanism

    NASA Astrophysics Data System (ADS)

    Uematsu, Masashi

    1997-09-01

    Boron (B), phosphorus (P), and arsenic (As) in-diffusion profiles were simulated based on an integrated diffusion model that takes into account the vacancy mechanism, the kick-out mechanism and the Frank-Turnbull mechanism. The simulations were done using just three parameters for B and P, and four parameters for As, each of which has a clear physical meaning and a physically reasonable value, with no additional ad hoc hypothesis. These parameters correspond to the diffusion of dopant species and of point defects that contribute to dopant diffusion. For the anomalous P diffusion profile, the vacancy mechanism governs the diffusion in the plateau region, while the kick-out mechanism governs it in the deeper region, where self-interstitials dominate in the kink region and P interstitials dominate in the tail region. This changeover from the vacancy contribution to the kick-out contribution is shown to be the mechanism for the appearance of the kink-and-tail profiles of P. Moreover, the comparison among B, P, and As diffusion is made to review the diffusion of these three dopants by means of a unified model.

  6. Determination of the mechanical and physical properties of cartilage by coupling poroelastic-based finite element models of indentation with artificial neural networks.

    PubMed

    Arbabi, Vahid; Pouran, Behdad; Campoli, Gianni; Weinans, Harrie; Zadpoor, Amir A

    2016-03-21

    One of the most widely used techniques to determine the mechanical properties of cartilage is based on indentation tests and interpretation of the obtained force-time or displacement-time data. In the current computational approaches, one needs to simulate the indentation test with finite element models and use an optimization algorithm to estimate the mechanical properties of cartilage. The modeling procedure is cumbersome, and the simulations need to be repeated for every new experiment. For the first time, we propose a method for fast and accurate estimation of the mechanical and physical properties of cartilage as a poroelastic material with the aid of artificial neural networks. In our study, we used finite element models to simulate the indentation for poroelastic materials with wide combinations of mechanical and physical properties. The obtained force-time curves are then divided into three parts: the first two parts of the data is used for training and validation of an artificial neural network, while the third part is used for testing the trained network. The trained neural network receives the force-time curves as the input and provides the properties of cartilage as the output. We observed that the trained network could accurately predict the properties of cartilage within the range of properties for which it was trained. The mechanical and physical properties of cartilage could therefore be estimated very fast, since no additional finite element modeling is required once the neural network is trained. The robustness of the trained artificial neural network in determining the properties of cartilage based on noisy force-time data was assessed by introducing noise to the simulated force-time data. We found that the training procedure could be optimized so as to maximize the robustness of the neural network against noisy force-time data. Copyright © 2016 Elsevier Ltd. All rights reserved.

  7. Mechanics of hip dysplasia reductions in infants using the Pavlik harness: a physics-based computational model.

    PubMed

    Ardila, Orlando J; Divo, Eduardo A; Moslehy, Faissal A; Rab, George T; Kassab, Alain J; Price, Charles T

    2013-05-31

    Biomechanical factors influencing the reduction of dislocated hips with the Pavlik harness in patients of Developmental Dysplasia of the Hip (DDH) were studied using a three-dimensional computer model simulating hip reduction dynamics in (1) subluxated and (2) fully dislocated hip joints. Five hip adductor muscles were identified as key mediators of DDH prognosis, and the non-dimensional force contribution of each in the direction necessary to achieve concentric hip reductions was determined. Results point to the adductor muscles as mediators of subluxated hip reductions, as their mechanical action is a function of the degree of hip dislocation. For subluxated hips in abduction and flexion, the Pectineus, Adductor Brevis, Adductor Longus, and proximal Adductor Magnus contribute positively to reduction, while the rest of the Adductor Magnus contributes negatively. In full dislocations all muscles contribute detrimentally to reduction, elucidating the need for traction to reduce Graf IV type dislocations. Reduction of dysplastic hips was found to occur in two distinct phases: (a) release phase and (b) reduction phase. Copyright © 2013 Elsevier Ltd. All rights reserved.

  8. New probabilistic fracture mechanics approach with neural network-based crack modeling: Its application to multiple cracks problem

    SciTech Connect

    Yoshimura, Shinobu; Lee, J.S.; Yagawa, Genki; Sugioka, Kiyoshi; Kawai, Tadahiko

    1995-11-01

    Studies on efficient utilization and life extension of operating nuclear power plants (NPPs) have become increasingly important since ages of the first-generation NPPs are approaching their design lives. In order to predict a remaining life of each plant, it is necessary to select those critical components that strongly influence the plant life, and to evaluate their remaining lives by considering aging effects of materials and other factors. This paper proposes a new method to incorporate sophisticated crack models, such as interaction and coalescence of multiple surface cracks, into probabilistic fracture mechanism (PFM) computer programs using neural networks. First, hundreds of finite element (FE) calculations of a plate containing multiple surface cracks are performed by parametrically changing crack parameters such as sizes and locations. A fully automated 3D FE analysis system is effectively utilized here. Second, the back-propagation neural network is trained using the FE solutions, i.e. crack parameters vs. their corresponding stress intensity factors (SIFs). After a sufficient number of training iterations, the network attains an ability to promptly output SIFs for arbitrary combinations of crack parameters. The well trained network is then incorporated into the parallel PFM program which runs on one of massively parallel computers composed of 512 processing units. To demonstrate its fundamental performances, the present computer program is applied to evaluate failure probabilities of aged reactor pressure vessels considering interaction and coalescence of two dissimilar semi-elliptical surface cracks.

  9. Investigation of the mechanical behavior of kangaroo humeral head cartilage tissue by a porohyperelastic model based on the strain-rate-dependent permeability.

    PubMed

    Thibbotuwawa, Namal; Oloyede, Adekunle; Senadeera, Wijitha; Li, Tong; Gu, YuanTong

    2015-11-01

    Solid-interstitial fluid interaction, which depends on tissue permeability, is significant to the strain-rate-dependent mechanical behavior of humeral head (shoulder) cartilage. Due to anatomical and biomechanical similarities to that of the human shoulder, kangaroos present a suitable animal model. Therefore, indentation experiments were conducted on kangaroo shoulder cartilage tissues from low (10(-4)/s) to moderately high (10(-2)/s) strain-rates. A porohyperelastic model was developed based on the experimental characterization; and a permeability function that takes into account the effect of strain-rate on permeability (strain-rate-dependent permeability) was introduced into the model to investigate the effect of rate-dependent fluid flow on tissue response. The prediction of the model with the strain-rate-dependent permeability was compared with those of the models using constant permeability and strain-dependent permeability. Compared to the model with constant permeability, the models with strain-dependent and strain-rate-dependent permeability were able to better capture the experimental variation at all strain-rates (p < 0.05). Significant differences were not identified between models with strain-dependent and strain-rate-dependent permeability at strain-rate of 5 × 10(-3)/s (p = 0.179). However, at strain-rate of 10(-2)/s, the model with strain-rate-dependent permeability was significantly better at capturing the experimental results (p < 0.005). The findings thus revealed the significance of rate-dependent fluid flow on tissue behavior at large strain-rates, which provides insights into the mechanical deformation mechanisms of cartilage tissues. Copyright © 2015 Elsevier Ltd. All rights reserved.

  10. Modeling the mechanical response of PBX 9501

    SciTech Connect

    Ragaswamy, Partha; Lewis, Matthew W; Liu, Cheng; Thompson, Darla G

    2010-01-01

    An engineering overview of the mechanical response of Plastic-Bonded eXplosives (PBXs), specifically PBX 9501, will be provided with emphasis on observed mechanisms associated with different types of mechanical testing. Mechanical tests in the form of uniaxial tension, compression, cyclic loading, creep (compression and tension), and Hopkinson bar show strain rate and temperature dependence. A range of mechanical behavior is observed which includes small strain recoverable response in the form of viscoelasticity; change in stiffness and softening beyond peak strength due to damage in the form microcracks, debonding, void formation and the growth of existing voids; inelastic response in the form of irrecoverable strain as shown in cyclic tests, and viscoelastic creep combined with plastic response as demonstrated in creep and recovery tests. The main focus of this paper is to elucidate the challenges and issues involved in modeling the mechanical behavior of PBXs for simulating thermo-mechanical responses in engineering components. Examples of validation of a constitutive material model based on a few of the observed mechanisms will be demonstrated against three point bending, split Hopkinson pressure bar and Brazilian disk geometry.

  11. Mechanisms for similarity based cooperation

    NASA Astrophysics Data System (ADS)

    Traulsen, A.

    2008-06-01

    Cooperation based on similarity has been discussed since Richard Dawkins introduced the term “green beard” effect. In these models, individuals cooperate based on an aribtrary signal (or tag) such as the famous green beard. Here, two different models for such tag based cooperation are analysed. As neutral drift is important in both models, a finite population framework is applied. The first model, which we term “cooperative tags” considers a situation in which groups of cooperators are formed by some joint signal. Defectors adopting the signal and exploiting the group can lead to a breakdown of cooperation. In this case, conditions are derived under which the average abundance of the more cooperative strategy exceeds 50%. The second model considers a situation in which individuals start defecting towards others that are not similar to them. This situation is termed “defective tags”. It is shown that in this case, individuals using tags to cooperate exclusively with their own kind dominate over unconditional cooperators.

  12. Modelling enzyme reaction mechanisms, specificity and catalysis.

    PubMed

    Mulholland, Adrian J

    2005-10-15

    Modern modelling methods can now give uniquely detailed understanding of enzyme-catalyzed reactions, including the analysis of mechanisms and the identification of determinants of specificity and catalytic efficiency. A new field of computational enzymology has emerged that has the potential to contribute significantly to structure-based design and to develop predictive models of drug metabolism and, for example, of the effects of genetic polymorphisms. This review outlines important techniques in this area, including quantum-chemical model studies and combined quantum-mechanics and molecular-mechanics (QM/MM) methods. Some recent applications to enzymes of pharmacological interest are also covered, showing the types of problems that can be tackled and the insight they can give.

  13. Acoustical modeling of swallowing mechanism.

    PubMed

    Shirazi, Samaneh Sarraf; Moussavi, Zahra M K

    2011-01-01

    In this paper, a mathematical modeling of the swallowing sound generation is presented. To evaluate the model, its application on swallowing disorder (dysphagia) diagnosis is discussed. As a starting point, a simple linear time invariant model is assumed to represent the pharyngeal wall and tissue excited by a train of impulses. The modeling is approached by two different assumptions. In one approach, it is assumed that the impulse train, representing the neural activities to trigger swallow, is the same for both groups of control and dysphagic, and it is the pharyngeal model that accounts for the difference between the two groups. On the other hand, in the second approach, it is assumed that the pharyngeal response is the same for both groups, but the neural activities to initiate the swallow are different between the two groups. The results show that the second approach complies better with the physiological characteristics of swallowing mechanism as it provides a much better discrimination between the swallowing sounds of control and dysphagic groups of this study. Though, it should be noted that our dysphagic group subjects were cerebral palsy and stroke patients. Hence, the model accounting for initiation of neural activities is reasonable to show better results.

  14. Mechanism underlying the bio-effects of an electromagnetic field based on the Huang-Ferrell model.

    PubMed

    Geng, D Y; Hu, G; Wang, L; Jia, N; Wang, F X

    2016-06-27

    To understand the beneficial and harmful bio-effects of extremely low frequency electromagnetic fields, we studied the MAPK/ERK signaling pathway based on the Huang-Ferrell model. The sensitivity analysis method was used to study the influence of the model parameters on the activity of ERK, and to further investigate the key biochemical reactions and proteins. The results of the simulation show that an increase in the reaction rate of MAPK/ERK kinase had little effect on ERK activation and the steady-state molecular number. However, a decrease in the reaction rate of MAPK/ERK kinase significantly affected the trigger time of ERK activation and decreased the steady-state molecular number. Together with the biological significance of ERK activity, our findings indicate that the effects of electromagnetic fields are a result of the decrease in the reaction rate of MAPK/ERK kinase, which eventually determines whether these effects cause physical damage or are beneficial in treatment.

  15. Nonlocal models in continuum mechanics

    SciTech Connect

    Johnson, N.L.; Phan-Thien, N.

    1993-09-01

    The recent appearance of nonlocal methods is examined in the light of traditional continuum mechanics. A comparison of nonlocal approaches in the fields of solid and fluid mechanics reveals that no consistent definition of a nonlocal theory has been used. We suggest a definition based on the violation of the principle of local action in continuum mechanics. From the consideration of the implications of a nonlocal theory based on this definition, we conclude that constitutive relations with nonlocal terms can confuse the traditional separation of the roles between conservation laws and constitutive relations. The diversity of motivations for the nonlocal approaches are presented, resulting primarily from deficiencies in numerical solutions to practical problems. To illustrate these concepts, the history of nonlocal terms in the field of viscoelastic fluids is reviewed. A specific example of a viscoelastic constitutive relation that contains a stress diffusion term is applied to a simple shear flow and found not to be a physical description of any known fluid. We conclude by listing questions that should be asked of nonlocal approaches.

  16. Fundamental study of the mechanical failure of silicon based electrodes for Li-ion batteries using a novel multi-physics computational modeling framework

    NASA Astrophysics Data System (ADS)

    Damle, Sameer Satish

    Li-ion batteries are the currently accepted flagship energy storage system with several cathode systems identified over the years. However, graphite has always remained the commercial anode material of choice. Silicon has been identified as the next-generation anode for Li-ion systems with a high theoretical capacity (4200 mAhg-1) compared to graphite (372 mAhg -1) and has been the focus of much research over the past decade. Silicon unfortunately, undergoes large volumetric expansion (312%) upon Li diffusion generating considerable diffusion-induced stresses. Presence of high stress leads to mechanical failure of Si resulting in capacity fade due to loss of electrical contact with the current collector impeding commercialization. The mechanical response of the electrode depends on the electrode properties comprising the active (Si) and passive components (current collector, mechanical supports). The objective of this thesis is to gain a mechanistic understanding of the interactions between the electrode components and their effect on the overall mechanical integrity of the Si based anode assembly, which can aid in the design of failure resistant, next-generation, high capacity anodes. To achieve this objective, a custom nonlinear finite element modeling software that can model coupled diffusion induced large elasto-plastic deformation of Si, surface electrochemical reaction kinetics and eventual mechanical failure response of the electrode system was utilized. This modeling framework is first used to understand the effect of passive components (current collector and Si-Cu interface properties) on the mechanical stability of an a-Si thin film anode system. To unlock the mechanisms behind the gradual interfacial delamination of the Si film from the underlying Cu current collector in an a-Si thin film anode system, a detailed parametric study is performed to analyze effect of the mechanical properties of the current collector and the Si-Cu interface on the

  17. Gallus gallus NEU3 sialidase as model to study protein evolution mechanism based on rapid evolving loops

    PubMed Central

    2011-01-01

    Background Large surface loops contained within compact protein structures and not involved in catalytic process have been proposed as preferred regions for protein family evolution. These loops are subjected to lower sequence constraints and can evolve rapidly in novel structural variants. A good model to study this hypothesis is represented by sialidase enzymes. Indeed, the structure of sialidases is a β-propeller composed by anti-parallel β-sheets connected by loops that suit well with the rapid evolving loop hypothesis. These features prompted us to extend our studies on this protein family in birds, to get insights on the evolution of this class of glycohydrolases. Results Gallus gallus (Gg) genome contains one NEU3 gene encoding a protein with a unique 188 amino acid sequence mainly constituted by a peptide motif repeated six times in tandem with no homology with any other known protein sequence. The repeat region is located at the same position as the roughly 80 amino acid loop characteristic of mammalian NEU4. Based on molecular modeling, all these sequences represent a connecting loop between the first two highly conserved β-strands of the fifth blade of the sialidase β-propeller. Moreover this loop is highly variable in sequence and size in NEU3 sialidases from other vertebrates. Finally, we found that the general enzymatic properties and subcellular localization of Gg NEU3 are not influenced by the deletion of the repeat sequence. Conclusion In this study we demonstrated that sialidase protein structure contains a surface loop, highly variable both in sequence and size, connecting two conserved β-sheets and emerging on the opposite site of the catalytic crevice. These data confirm that sialidase family can serve as suitable model for the study of the evolutionary process based on rapid evolving loops, which may had occurred in sialidases. Giving the peculiar organization of the loop region identified in Gg NEU3, this protein can be considered of

  18. Modeling of fluid injection and withdrawal induced fault activation using discrete element based hydro-mechanical and dynamic coupled simulator

    NASA Astrophysics Data System (ADS)

    Yoon, Jeoung Seok; Zang, Arno; Zimmermann, Günter; Stephansson, Ove

    2016-04-01

    Operation of fluid injection into and withdrawal from the subsurface for various purposes has been known to induce earthquakes. Such operations include hydraulic fracturing for shale gas extraction, hydraulic stimulation for Enhanced Geothermal System development and waste water disposal. Among these, several damaging earthquakes have been reported in the USA in particular in the areas of high-rate massive amount of wastewater injection [1] mostly with natural fault systems. Oil and gas production have been known to induce earthquake where pore fluid pressure decreases in some cases by several tens of Mega Pascal. One recent seismic event occurred in November 2013 near Azle, Texas where a series of earthquakes began along a mapped ancient fault system [2]. It was studied that a combination of brine production and waste water injection near the fault generated subsurface pressures sufficient to induced earthquakes on near-critically stressed faults. This numerical study aims at investigating the occurrence mechanisms of such earthquakes induced by fluid injection [3] and withdrawal by using hydro-geomechanical coupled dynamic simulator (Itasca's Particle Flow Code 2D). Generic models are setup to investigate the sensitivity of several parameters which include fault orientation, frictional properties, distance from the injection well to the fault, amount of fluid withdrawal around the injection well, to the response of the fault systems and the activation magnitude. Fault slip movement over time in relation to the diffusion of pore pressure is analyzed in detail. Moreover, correlations between the spatial distribution of pore pressure change and the locations of induced seismic events and fault slip rate are investigated. References [1] Keranen KM, Weingarten M, Albers GA, Bekins BA, Ge S, 2014. Sharp increase in central Oklahoma seismicity since 2008 induced by massive wastewater injection, Science 345, 448, DOI: 10.1126/science.1255802. [2] Hornbach MJ, DeShon HR

  19. A Mechanism-Based Model for the Prediction of the Metabolic Sites of Steroids Mediated by Cytochrome P450 3A4.

    PubMed

    Dai, Zi-Ru; Ai, Chun-Zhi; Ge, Guang-Bo; He, Yu-Qi; Wu, Jing-Jing; Wang, Jia-Yue; Man, Hui-Zi; Jia, Yan; Yang, Ling

    2015-06-30

    Early prediction of xenobiotic metabolism is essential for drug discovery and development. As the most important human drug-metabolizing enzyme, cytochrome P450 3A4 has a large active cavity and metabolizes a broad spectrum of substrates. The poor substrate specificity of CYP3A4 makes it a huge challenge to predict the metabolic site(s) on its substrates. This study aimed to develop a mechanism-based prediction model based on two key parameters, including the binding conformation and the reaction activity of ligands, which could reveal the process of real metabolic reaction(s) and the site(s) of modification. The newly established model was applied to predict the metabolic site(s) of steroids; a class of CYP3A4-preferred substrates. 38 steroids and 12 non-steroids were randomly divided into training and test sets. Two major metabolic reactions, including aliphatic hydroxylation and N-dealkylation, were involved in this study. At least one of the top three predicted metabolic sites was validated by the experimental data. The overall accuracy for the training and test were 82.14% and 86.36%, respectively. In summary, a mechanism-based prediction model was established for the first time, which could be used to predict the metabolic site(s) of CYP3A4 on steroids with high predictive accuracy.

  20. A fractional transient model for the viscoplastic response of polymers based on a micro-mechanism of free volume distribution

    NASA Astrophysics Data System (ADS)

    Spathis, G.; Kontou, E.

    2017-06-01

    In the present work, the nonlinear viscoelastic/viscoplastic response of polymeric materials is described by introducing essential modifications on a model developed in previous works. A constitutive equation of viscoelasticity, based on the transient network theory, is introduced in a more generalized form, which takes into account volume changes during deformation. This time-dependent equation accounts for the nonlinearity and viscoplasticity at small elastic and finite plastic strain regime. The present description was proved to be more flexible, given that it contains a relaxation function that has been derived by considering instead of first order kinetics a fractional derivative that controls the rate of molecular chain detachment from their junctions. Therefore, the new equation has a more global character, appropriate for cases where heavy tails are expected. On the basis of the distributed nature of free volume, a new functional form of the rate of plastic deformation is developed, which is combined with a proper kinematic formulation and leads to the separation of the total strain into the elastic and plastic part. A three-dimensional constitutive equation is then derived for an isotropic, compressible medium. This analysis was proved to be capable of capturing the main aspects of inelastic response as well as the instability stage taking place at the tertiary creep, related to the creep failure.

  1. Modeling mechanical signals on the surface of µCT and CAD based rapid prototype scaffold models to predict (early stage) tissue development.

    PubMed

    Hendrikson, W J; van Blitterswijk, C A; Verdonschot, N; Moroni, L; Rouwkema, J

    2014-09-01

    In the field of tissue engineering, mechano-regulation theories have been applied to help predict tissue development in tissue engineering scaffolds in the past. For this, finite element models (FEMs) were used to predict the distribution of strains within a scaffold. However, the strains reported in these studies are volumetric strains of the material or strains developed in the extracellular matrix occupying the pore space. The initial phase of cell attachment and growth on the biomaterial surface has thus far been neglected. In this study, we present a model that determines the magnitude of biomechanical signals on the biomaterial surface, enabling us to predict cell differentiation stimulus values at this initial stage. Results showed that magnitudes of the 2D strain--termed surface strain--were lower when compared to the 3D volumetric strain or the conventional octahedral shear strain as used in current mechano-regulation theories. Results of both µCT and CAD derived FEMs from the same scaffold were compared. Strain and fluid shear stress distributions, and subsequently the cell differentiation stimulus, were highly dependent on the pore shape. CAD models were not able to capture the distributions seen in the µCT FEM. The calculated mechanical stimuli could be combined with current mechanobiological models resulting in a tool to predict cell differentiation in the initial phase of tissue engineering. Although experimental data is still necessary to properly link mechanical signals to cell behavior in this specific setting, this model is an important step towards optimizing scaffold architecture and/or stimulation regimes.

  2. Research on the evolution model and deformation mechanisms of Baishuihe landslide based on analyzing geologic process of slope

    NASA Astrophysics Data System (ADS)

    Zhang, S.; Tang, H.; Cai, Y.; Tan, Q.

    2016-12-01

    The landslide is a result of both inner and exterior geologic agents, and inner ones always have significant influences on the susceptibility of geologic bodies to the exterior ones. However, current researches focus more on impacts of exterior factors, such as precipitation and reservoir water, than that of geologic process. Baishuihe landslide, located on the south bank of Yangtze River and 56km upstream from the Three Gorges Project, was taken as the study subject with the in-situ investigation and exploration carried out for the first step. After the spatial analysis using the 3D model of topography built by ArcGIS (Fig.1), geologic characteristics of the slope that lies in a certain range near the Baishuihe landslide on the same bank were investigated for further insights into geologic process of the slope, with help of the geological map and structure outline map. Baishuihe landslide developed on the north limb of Baifuping anticline, a dip slope on the southwest margin of Zigui basin. The eastern and western boundaries are both ridges and in the middle a distinct slide depression is in process of deforming. Evolutionary process of Baishuihe landslide includes three steps below. 1) Emergence of Baifuping anticline leaded to interbedded dislocation, tension cracks and joint fractures in bedrocks. 2) Weathering continuously weakened strength of soft interlayers in the Shazhenxi Formation (T3s). 3) Rock slide caused by neotectonics happened on a large scale along the weak layers and joint planes, forming initial Baishuihe landslide. Although the landslide has undergone reconstruction for a long time, it could still be divided clearly into two parts, namely a) the rock landslide at the back half (south) and b) the debris landslide at the front half (north). a) The deformation mechanism for the rock landslide is believed to be deterioration in strength of weak bedding planes due to precipitation and free face caused by human activities or river incision. b

  3. Endocrine disrupting chemicals in fish: developing exposure indicators and predictive models of effects based on mechanism of action

    EPA Science Inventory

    Knowledge of possible toxic mechanisms/modes of action (MOA) of chemicals can provide valuable insights as to appropriate methods for assessing exposure and effects, such as reducing uncertainties related to extrapolation across species, endpoints and chemical structure. However,...

  4. Mechanical Modeling of a Keratoconic Cornea.

    PubMed

    Perone, Jean Marc; Conart, Jean Baptiste; Bertaux, Pierre-Jean; Sujet-Perone, Nicolas; Ouamara, Nadia; Sot, Maxime; Henry, Jean Jacques

    2017-10-01

    We created a laboratory model of a cornea that was subjected to various pressures and thermal and mechanical factors to better understand the genesis of keratoconus deformation. A steel base allowed for fixation of circular multilaminated patches of araldite (10 cm in diameter, 5 mm thick) in which the corneal anatomy was modeled. The model was plunged into a steam room (374°F/3 bars of pressure for 1 h) to ensure thermal homogeneity and was subjected to pressure using compressed air. Three models were assessed: a fault-free model with no lesion (model 1), and 2 models with a defect. The first of the defective models (model 2) had an external crack-type lesion (1 cm long; 1 mm deep). The second defective model (model 3) had one quarter thinned down using abrasive sandpaper (thickness reduced by 30%-40%). For model 1, which represented a healthy cornea, homogeneous modification was noted when examined under polarized light. In model 2, no excessive deformation was noticed, but there were stress lines at the edge of the lesion. Model 3 had a deformity, similar to keratoconic deformation. Our findings suggest that the disease progresses under environmental stresses, but only when there is an initial defect, and especially when there is a thinning down defect. This thinning down defect may be induced by continual eye rubbing.

  5. Metal Ion Modeling Using Classical Mechanics.

    PubMed

    Li, Pengfei; Merz, Kenneth M

    2017-02-08

    Metal ions play significant roles in numerous fields including chemistry, geochemistry, biochemistry, and materials science. With computational tools increasingly becoming important in chemical research, methods have emerged to effectively face the challenge of modeling metal ions in the gas, aqueous, and solid phases. Herein, we review both quantum and classical modeling strategies for metal ion-containing systems that have been developed over the past few decades. This Review focuses on classical metal ion modeling based on unpolarized models (including the nonbonded, bonded, cationic dummy atom, and combined models), polarizable models (e.g., the fluctuating charge, Drude oscillator, and the induced dipole models), the angular overlap model, and valence bond-based models. Quantum mechanical studies of metal ion-containing systems at the semiempirical, ab initio, and density functional levels of theory are reviewed as well with a particular focus on how these methods inform classical modeling efforts. Finally, conclusions and future prospects and directions are offered that will further enhance the classical modeling of metal ion-containing systems.

  6. Metal Ion Modeling Using Classical Mechanics

    PubMed Central

    2017-01-01

    Metal ions play significant roles in numerous fields including chemistry, geochemistry, biochemistry, and materials science. With computational tools increasingly becoming important in chemical research, methods have emerged to effectively face the challenge of modeling metal ions in the gas, aqueous, and solid phases. Herein, we review both quantum and classical modeling strategies for metal ion-containing systems that have been developed over the past few decades. This Review focuses on classical metal ion modeling based on unpolarized models (including the nonbonded, bonded, cationic dummy atom, and combined models), polarizable models (e.g., the fluctuating charge, Drude oscillator, and the induced dipole models), the angular overlap model, and valence bond-based models. Quantum mechanical studies of metal ion-containing systems at the semiempirical, ab initio, and density functional levels of theory are reviewed as well with a particular focus on how these methods inform classical modeling efforts. Finally, conclusions and future prospects and directions are offered that will further enhance the classical modeling of metal ion-containing systems. PMID:28045509

  7. A chemo-mechanical free-energy-based approach to model durotaxis and extracellular stiffness-dependent contraction and polarization of cells.

    PubMed

    Shenoy, Vivek B; Wang, Hailong; Wang, Xiao

    2016-02-06

    We propose a chemo-mechanical model based on stress-dependent recruitment of myosin motors to describe how the contractility, polarization and strain in cells vary with the stiffness of their surroundings and their shape. A contractility tensor, which depends on the distribution of myosin motors, is introduced to describe the chemical free energy of the cell due to myosin recruitment. We explicitly include the contributions to the free energy that arise from mechanosensitive signalling pathways (such as the SFX, Rho-Rock and MLCK pathways) through chemo-mechanical coupling parameters. Taking the variations of the total free energy, which consists of the chemical and mechanical components, in accordance with the second law of thermodynamics provides equations for the temporal evolution of the active stress and the contractility tensor. Following this approach, we are able to recover the well-known Hill relation for active stresses, based on the fundamental principles of irreversible thermodynamics rather than phenomenology. We have numerically implemented our free energy-based approach to model spatial distribution of strain and contractility in (i) cells supported by flexible microposts, (ii) cells on two-dimensional substrates, and (iii) cells in three-dimensional matrices. We demonstrate how the polarization of the cells and the orientation of stress fibres can be deduced from the eigenvalues and eigenvectors of the contractility tensor. Our calculations suggest that the chemical free energy of the cell decreases with the stiffness of the extracellular environment as the cytoskeleton polarizes in response to stress-dependent recruitment of molecular motors. The mechanical energy, which includes the strain energy and motor potential energy, however, increases with stiffness, but the overall energy is lower for cells in stiffer environments. This provides a thermodynamic basis for durotaxis, whereby cells preferentially migrate towards stiffer regions of the

  8. Numerical modelling of suffusion by discrete element method: a new internal stability criterion based on mechanical behaviour of eroded soil

    NASA Astrophysics Data System (ADS)

    Abdoulaye Hama, Nadjibou; Ouahbi, Tariq; Taibi, Said; Souli, Hanène; Fleureau, Jean-Marie; Pantet, Anne

    2017-06-01

    Non-cohesive soils subjected to a flow may have a behavior in which fine particles migrate through the interstices of the solid skeleton formed by the large particles. This phenomenon is termed internal instability, internal erosion or suffusion, and can occur both in natural soil deposits and also in geotechnical structures such as dams, dikes or barrages. Internal instability of a granular material is its inability to prevent the loss of its fine particles under flow effect. It is geometrically possible if the fine particles can migrate through the pores of the coarse soil matrix and results in a change in its mechanical properties. In this work, we uses the three-dimensional Particle Flow Code (PFC3D/DEM) to study the stability/instability of granular materials and their mechanical behavior. Kenney and Lau criterion sets a safe boundary for engineering design. However, it tends to identify stable soils as unstable ones. The effects of instability and erosion, simulated by clipping fine particles from the grading distribution, on the mechanical behaviour of glass ball samples were analysed. The mechanical properties of eroded samples, in which erosion is simulated and gives a new approach for internal stability. A proposal for a new internal stability criterion is established, it is deduced from the analysis of relations between the mechanical behaviour and internal stability, including material contractance.

  9. Mechanism of general acid-base catalysis in transesterification of an RNA model phosphodiester studied with strongly basic catalysts.

    PubMed

    Corona-Martínez, David O; Taran, Olga; Yatsimirsky, Anatoly K

    2010-02-21

    Using 80% vol aqueous DMSO as the reaction medium for transesterification of an RNA model substrate 2-hydroxypropyl 4-nitrophenyl phosphate allows one to observe catalysis in buffer mixtures composed of highly basic components such as guanidines, amidines or alkylamines, which provide up to 10(3)-fold accelerations over the background reaction in the 0.01-0.1 M concentration range. The rate law k(obs) = k(1)[B] + k(2)[B][BH(+)] was established indicating contributions from both simple general base catalysis and the reaction involving concerted action of neutral (B) and protonated (BH(+)) forms of the buffer. The catalytic efficiency of guanidinium and amidinium cations is 10 times larger than that of more acidic ammonium cations. Rate constants k(1) and k(2) obey the Brønsted equations with the slopes 0.77 and 0.69 respectively. Proton inventory for k(2) (B = guanidine) in D(2)O/H(2)O mixtures gives two fractionation factors phi(1) = 0.48 and phi(2) = 1.26 for normal and inverse isotope effects respectively. The former results from the proton transfer to B and the latter from the binding of guanidinium cation to the phosphate group as follows from observation of an inverse solvent isotope effect for the binding of guanidinium and amidinium cations to a phosphodiester anion. The results of kinetic studies together with analysis of transition state stabilization free energies for guanidinium and amidinium cations show that the protonated buffer component acts via electrostatic transition state stabilization rather than proton transfer, which may be possible for a guanidinium assisted hydroxide catalyzed reaction.

  10. Physiologically Based Pharmacokinetic Modeling for Substitutability Analysis of Venlafaxine Hydrochloride Extended-Release Formulations Using Different Release Mechanisms: Osmotic Pump Versus Openable Matrix.

    PubMed

    Lin, Ho-Pi; Sun, Dajun; Zhang, Xinyuan; Wen, Hong

    2016-10-01

    A Food and Drug Administration-approved generic oral product of venlafaxine hydrochloride (HCl) extended-release (ER) tablets has used a release mechanism based on an openable matrix, which is different from the push-pull osmotic pump system of its reference-listed drug. In an extreme case, a delay in the bursting of the openable matrix may be considered a product failure mode that alters the intended profile of systemic exposure. A physiologically based pharmacokinetic absorption model was established and verified to simulate the pharmacokinetic profiles after a single-dose oral administration of ER venlafaxine HCl tablets based on an osmotic pump or openable matrix design. This model adequately predicted the observed human mean pharmacokinetic metrics with <20% difference between the predicted and observed data. Based on the modeling and simulation results, Cmax and AUCt of the venlafaxine openable matrix tablets were entirely within the bioequivalence acceptance limits (i.e., 80%-125%) when the lag time varied from 0 to 4 h and using drug-release profiles under most dissolution conditions. The results indicated that a bioinequivalence risk is minimal for a delayed onset of drug release from the approved generic venlafaxine HCl ER tablets with an openable matrix design, supporting its substitutability to the reference product. Published by Elsevier Inc.

  11. Next-generation sequencing, FISH mapping and synteny-based modeling reveal mechanisms of decreasing dysploidy in Cucumis

    USDA-ARS?s Scientific Manuscript database

    In the family of Cucurbitaceae, cucumber (Cucumis sativus) is the only species with 14 chromosomes. The majority of the remaining species, including melon and the sister species of cucumber, C. hystrix, have 24 chromosomes. To understand the underlying mechanisms of chromosome reduction from n=12 to...

  12. Externally predictive quantitative modeling of supercooled liquid vapor pressure of polychlorinated-naphthalenes through electron-correlation based quantum-mechanical descriptors.

    PubMed

    Vikas; Chayawan

    2014-01-01

    For predicting physico-chemical properties related to environmental fate of molecules, quantitative structure-property relationships (QSPRs) are valuable tools in environmental chemistry. For developing a QSPR, molecular descriptors computed through quantum-mechanical methods are generally employed. The accuracy of a quantum-mechanical method, however, rests on the amount of electron-correlation estimated by the method. In this work, single-descriptor QSPRs for supercooled liquid vapor pressure of chloronaphthalenes and polychlorinated-naphthalenes are developed using molecular descriptors based on the electron-correlation contribution of the quantum-mechanical descriptor. The quantum-mechanical descriptors for which the electron-correlation contribution is analyzed include total-energy, mean polarizability, dipole moment, frontier orbital (HOMO/LUMO) energy, and density-functional theory (DFT) based descriptors, namely, absolute electronegativity, chemical hardness, and electrophilicity index. A total of 40 single-descriptor QSPRs were developed using molecular descriptors computed with advanced semi-empirical (SE) methods, namely, RM1, PM7, and ab intio methods, namely, Hartree-Fock and DFT. The developed QSPRs are validated using state-of-the-art external validation procedures employing an external prediction set. From the comparison of external predictivity of the models, it is observed that the single-descriptor QSPRs developed using total energy and correlation energy are found to be far more robust and predictive than those developed using commonly employed descriptors such as HOMO/LUMO energy and dipole moment. The work proposes that if real external predictivity of a QSPR model is desired to be explored, particularly, in terms of intra-molecular interactions, correlation-energy serves as a more appropriate descriptor than the polarizability. However, for developing QSPRs, computationally inexpensive advanced SE methods such as PM7 can be more reliable than

  13. Simulation modeling based method for choosing an effective set of fault tolerance mechanisms for real-time avionics systems

    NASA Astrophysics Data System (ADS)

    Bakhmurov, A. G.; Balashov, V. V.; Glonina, A. B.; Pashkov, V. N.; Smeliansky, R. L.; Volkanov, D. Yu.

    2013-12-01

    In this paper, the reliability allocation problem (RAP) for real-time avionics systems (RTAS) is considered. The proposed method for solving this problem consists of two steps: (i) creation of an RTAS simulation model at the necessary level of abstraction and (ii) application of metaheuristic algorithm to find an optimal solution (i. e., to choose an optimal set of fault tolerance techniques). When during the algorithm execution it is necessary to measure the execution time of some software components, the simulation modeling is applied. The procedure of simulation modeling also consists of the following steps: automatic construction of simulation model of the RTAS configuration and running this model in a simulation environment to measure the required time. This method was implemented as an experimental software tool. The tool works in cooperation with DYANA simulation environment. The results of experiments with the implemented method are presented. Finally, future plans for development of the presented method and tool are briefly described.

  14. Optical coherence tomography-based contact indentation for diaphragm mechanics in a mouse model of transforming growth factor alpha induced lung disease.

    PubMed

    Wang, Kimberley C W; Astell, Chrissie J; Wijesinghe, Philip; Larcombe, Alexander N; Pinniger, Gavin J; Zosky, Graeme R; Kennedy, Brendan F; Berry, Luke J; Sampson, David D; James, Alan L; Le Cras, Timothy D; Noble, Peter B

    2017-05-04

    This study tested the utility of optical coherence tomography (OCT)-based indentation to assess mechanical properties of respiratory tissues in disease. Using OCT-based indentation, the elastic modulus of mouse diaphragm was measured from changes in diaphragm thickness in response to an applied force provided by an indenter. We used a transgenic mouse model of chronic lung disease induced by the overexpression of transforming growth factor-alpha (TGF-α), established by the presence of pleural and peribronchial fibrosis and impaired lung mechanics determined by the forced oscillation technique and plethysmography. Diaphragm elastic modulus assessed by OCT-based indentation was reduced by TGF-α at both left and right lateral locations (p < 0.05). Diaphragm elastic modulus at left and right lateral locations were correlated within mice (r = 0.67, p < 0.01) suggesting that measurements were representative of tissue beyond the indenter field. Co-localised images of diaphragm after TGF-α overexpression revealed a layered fibrotic appearance. Maximum diaphragm force in conventional organ bath studies was also reduced by TGF-α overexpression (p < 0.01). Results show that OCT-based indentation provided clear delineation of diseased diaphragm, and together with organ bath assessment, provides new evidence suggesting that TGF-α overexpression produces impairment in diaphragm function and, therefore, an increase in the work of breathing in chronic lung disease.

  15. ToTCompute: A Novel EEG-Based TimeOnTask Threshold Computation Mechanism for Engagement Modelling and Monitoring

    ERIC Educational Resources Information Center

    Ghergulescu, Ioana; Muntean, Cristina Hava

    2016-01-01

    Engagement influences participation, progression and retention in game-based e-learning (GBeL). Therefore, GBeL systems should engage the players in order to support them to maximize their learning outcomes, and provide the players with adequate feedback to maintain their motivation. Innovative engagement monitoring solutions based on players'…

  16. ToTCompute: A Novel EEG-Based TimeOnTask Threshold Computation Mechanism for Engagement Modelling and Monitoring

    ERIC Educational Resources Information Center

    Ghergulescu, Ioana; Muntean, Cristina Hava

    2016-01-01

    Engagement influences participation, progression and retention in game-based e-learning (GBeL). Therefore, GBeL systems should engage the players in order to support them to maximize their learning outcomes, and provide the players with adequate feedback to maintain their motivation. Innovative engagement monitoring solutions based on players'…

  17. Combining the Finite Element Method with Structural Connectome-based Analysis for Modeling Neurotrauma:Connectome Neurotrauma Mechanics

    DTIC Science & Technology

    2012-08-16

    emerge as a useful tool in the field of neuroscience [10–13]. Models continue to advance in biofidelity by incorporating an increased level of anatomic...can be compared. Perhaps this may be accomplished using sports-related impact injury, such as American football , where many helmets have sensors built...mesh generation. Med Eng Phys 34: 85–98. 14. Acar ZA, Makeig S (2010) Neuroelectromagnetic forward head modeling toolbox. J Neurosci Methods 190: 258

  18. Combining the Finite Element Method with Structural Connectome-based Analysis for Modeling Neurotrauma: Connectome Neurotrauma Mechanics

    DTIC Science & Technology

    2012-08-16

    neuroscience [10–13]. Models continue to advance in biofidelity by incorporating an increased level of anatomic detail [4,13,14], improved representation...Perhaps this may be accomplished using sports-related impact injury, such as American football , where many helmets have sensors built-in to record...generation. Med Eng Phys 34: 85–98. 14. Acar ZA, Makeig S (2010) Neuroelectromagnetic forward head modeling toolbox. J Neurosci Methods 190: 258–270. 15

  19. Mechanisms of β-Adrenergic Modulation of IKs in the Guinea-Pig Ventricle: Insights from Experimental and Model-Based Analysis

    PubMed Central

    Severi, Stefano; Corsi, Cristiana; Rocchetti, Marcella; Zaza, Antonio

    2009-01-01

    Detailed understanding of IKs gating complexity may provide clues regarding the mechanisms of repolarization instability and the resulting arrhythmias. We developed and tested a kinetic model to interpret physiologically relevant IKs properties, including pause-dependence and modulation by β-adrenergic receptors (β-AR). IKs gating was evaluated in guinea-pig ventricular myocytes at 36°C in control and during β-AR stimulation (0.1 μmol/L isoprenaline (ISO)). We tested voltage dependence of steady-state conductance (Gss), voltage dependence of activation and deactivation time constants (τact, τdeact), and pause-dependence of τact during repetitive activations (τreact). The IKs model was developed from the Silva and Rudy formulation. Parameters were optimized on control and ISO experimental data, respectively. ISO strongly increased Gss and its voltage dependence, changed the voltage dependence of τact and τdeact, and modified the pause-dependence of τreact. A single set of model parameters reproduced all experimental data in control. Modification of only three transition rates led to a second set of parameters suitable to fit all ISO data. Channel unitary conductance and density were unchanged in the model, thus implying increased open probability as the mechanism of ISO-induced Gss enhancement. The new IKs model was applied to analyze ISO effect on repolarization rate-dependence. IKs kinetics and its β-AR modulation were entirely reproduced by a single Markov chain of transitions (for each channel monomer). Model-based analysis suggests that complete opening of IKs channels within a physiological range of potentials requires concomitant β-AR stimulation. Transient redistribution of state occupancy, in addition to direct modulation of transition rates, may underlie β-AR modulation of IKs time dependence. PMID:19413992

  20. Modelling RNA folding under mechanical tension

    PubMed Central

    VIEREGG, JEFFREY R.; TINOCO, IGNACIO

    2006-01-01

    We investigate the thermodynamics and kinetics of RNA unfolding and refolding under mechanical tension. The hierarchical nature of RNA structure and the existence of thermodynamic parameters for base pair formation based on nearest-neighbour interactions allows modelling of sequence-dependent folding dynamics for any secondary structure. We calculate experimental observables such as the transition force for unfolding, the end-to-end distribution function and its variance, as well as kinetic information, for a representative RNA sequence and for a sequence containing two homopolymer segments: A.U and G.C. PMID:16969426

  1. Collagen thermal denaturation study for thermal angioplasty based on modified kinetic model: relation between the artery mechanical properties and collagen denaturation rate

    NASA Astrophysics Data System (ADS)

    Shimazaki, N.; Hayashi, T.; Kunio, M.; Arai, T.

    2010-02-01

    We have been developing the novel short-term heating angioplasty in which sufficient artery lumen-dilatation was attained with thermal softening of collagen fiber in artery wall. In the present study, we investigated on the relation between the mechanical properties of heated artery and thermal denaturation fractures of arterial collagen in ex vivo. We employed Lumry-Eyring model to estimate temperature- and time-dependent thermal denaturation fractures of arterial collagen fiber during heating. We made a kinetic model of arterial collagen thermal denaturation by adjustment of K and k in this model, those were the equilibrium constant of reversible denaturation and the rate constant of irreversible denaturation. Meanwhile we demonstrated that the change of reduced scattering coefficient of whole artery wall during heating reflected the reversible denaturation of the collagen in artery wall. Based on this phenomenon, the K was determined experimentally by backscattered light intensity measurement (at 633nm) of extracted porcine carotid artery during temperature elevation and descending (25°C-->80°C-->25°C). We employed the value of according to our earlier report in which the time-and temperature- dependent irreversible denaturation amount of the artery collagen fiber that was assessed by the artery birefringence. Then, the time- and temperature- dependent reversible (irreversible) denaturation fraction defined as the reversible ((irreversible) denatured collagen amount) / (total collagen amount) was calculated by the model. Thermo-mechanical analysis of artery wall was performed to compare the arterial mechanical behaviors (softening, shrinkage) during heating with the calculated denaturation fraction with the model. In any artery temperature condition in 70-80°, the irreversible denaturation fraction at which the artery thermal shrinkage started was estimated to be around 20%. On the other hand, the calculated irreversible denaturation fraction remained below

  2. Exploring the Mechanisms of Ecological Land Change Based on the Spatial Autoregressive Model: A Case Study of the Poyang Lake Eco-Economic Zone, China

    PubMed Central

    Xie, Hualin; Liu, Zhifei; Wang, Peng; Liu, Guiying; Lu, Fucai

    2013-01-01

    Ecological land is one of the key resources and conditions for the survival of humans because it can provide ecosystem services and is particularly important to public health and safety. It is extremely valuable for effective ecological management to explore the evolution mechanisms of ecological land. Based on spatial statistical analyses, we explored the spatial disparities and primary potential drivers of ecological land change in the Poyang Lake Eco-economic Zone of China. The results demonstrated that the global Moran’s I value is 0.1646 during the 1990 to 2005 time period and indicated significant positive spatial correlation (p < 0.05). The results also imply that the clustering trend of ecological land changes weakened in the study area. Some potential driving forces were identified by applying the spatial autoregressive model in this study. The results demonstrated that the higher economic development level and industrialization rate were the main drivers for the faster change of ecological land in the study area. This study also tested the superiority of the spatial autoregressive model to study the mechanisms of ecological land change by comparing it with the traditional linear regressive model. PMID:24384778

  3. Exploring the mechanisms of ecological land change based on the spatial autoregressive model: a case study of the Poyang Lake Eco-Economic Zone, China.

    PubMed

    Xie, Hualin; Liu, Zhifei; Wang, Peng; Liu, Guiying; Lu, Fucai

    2013-12-31

    Ecological land is one of the key resources and conditions for the survival of humans because it can provide ecosystem services and is particularly important to public health and safety. It is extremely valuable for effective ecological management to explore the evolution mechanisms of ecological land. Based on spatial statistical analyses, we explored the spatial disparities and primary potential drivers of ecological land change in the Poyang Lake Eco-economic Zone of China. The results demonstrated that the global Moran's I value is 0.1646 during the 1990 to 2005 time period and indicated significant positive spatial correlation (p < 0.05). The results also imply that the clustering trend of ecological land changes weakened in the study area. Some potential driving forces were identified by applying the spatial autoregressive model in this study. The results demonstrated that the higher economic development level and industrialization rate were the main drivers for the faster change of ecological land in the study area. This study also tested the superiority of the spatial autoregressive model to study the mechanisms of ecological land change by comparing it with the traditional linear regressive model.

  4. Bio-Chemo-Mechanical Models of Vascular Mechanics.

    PubMed

    Kim, Jungsil; Wagenseil, Jessica E

    2015-07-01

    Models of vascular mechanics are necessary to predict the response of an artery under a variety of loads, for complex geometries, and in pathological adaptation. Classic constitutive models for arteries are phenomenological and the fitted parameters are not associated with physical components of the wall. Recently, microstructurally-linked models have been developed that associate structural information about the wall components with tissue-level mechanics. Microstructurally-linked models are useful for correlating changes in specific components with pathological outcomes, so that targeted treatments may be developed to prevent or reverse the physical changes. However, most treatments, and many causes, of vascular disease have chemical components. Chemical signaling within cells, between cells, and between cells and matrix constituents affects the biology and mechanics of the arterial wall in the short- and long-term. Hence, bio-chemo-mechanical models that include chemical signaling are critical for robust models of vascular mechanics. This review summarizes bio-mechanical and bio-chemo-mechanical models with a focus on large elastic arteries. We provide applications of these models and challenges for future work.

  5. Bio-chemo-mechanical models of vascular mechanics

    PubMed Central

    Kim, Jungsil; Wagenseil, Jessica E.

    2014-01-01

    Models of vascular mechanics are necessary to predict the response of an artery under a variety of loads, for complex geometries, and in pathological adaptation. Classic constitutive models for arteries are phenomenological and the fitted parameters are not associated with physical components of the wall. Recently, microstructurally-linked models have been developed that associate structural information about the wall components with tissue-level mechanics. Microstructurally-linked models are useful for correlating changes in specific components with pathological outcomes, so that targeted treatments may be developed to prevent or reverse the physical changes. However, most treatments, and many causes, of vascular disease have chemical components. Chemical signaling within cells, between cells, and between cells and matrix constituents affects the biology and mechanics of the arterial wall in the short- and long-term. Hence, bio-chemo-mechanical models that include chemical signaling are critical for robust models of vascular mechanics. This review summarizes bio-mechanical and bio-chemo-mechanical models with a focus on large elastic arteries. We provide applications of these models and challenges for future work. PMID:25465618

  6. Alveolar mechanics using realistic acinar models

    NASA Astrophysics Data System (ADS)

    Kumar, Haribalan; Lin, Ching-Long; Tawhai, Merryn H.; Hoffman, Eric A.

    2009-11-01

    Accurate modeling of the mechanics in terminal airspaces of the lung is desirable for study of particle transport and pathology. The flow in the acinar region is traditionally studied by employing prescribed boundary conditions to represent rhythmic breathing and volumetric expansion. Conventional models utilize simplified spherical or polygonal units to represent the alveolar duct and sac. Accurate prediction of flow and transport characteristics may require geometries reconstructed from CT-based images and serve to understand the importance of physiologically realistic representation of the acinus. In this effort, we present a stabilized finite element framework, supplemented with appropriate boundary conditions at the alveolar mouth and septal borders for simulation of the alveolar mechanics and the resulting airflow. Results of material advection based on Lagrangian tracking are presented to complete the study of transport and compare the results with simplified acinar models. The current formulation provides improved understanding and realization of a dynamic framework for parenchymal mechanics with incorporation of alveolar pressure and traction stresses.

  7. Case-control Study on Risk Factors of Unplanned Extubation Based on Patient Safety Model in Critically Ill Patients with Mechanical Ventilation.

    PubMed

    Kwon, EunOk; Choi, KyungSook

    2017-03-01

    This study aimed to identify risk factors of unplanned extubation in intensive care unit (ICU) patients with mechanical ventilation using a patient safety model. This study was designed to be a case-control study. Data collection sheets, including 29 risk factors of unplanned extubation in mechanically ventilation patients were retrospectively collected based on a patient safety model over 3 years. From 41,207 mechanically ventilated patients, 230 patients were identified to have unplanned extubation during their ICU stay. Based on the characteristics of the cohort of 230 patients who had unplanned extubation, 460 case control comparison groups with planned extubation were selected by matching age, gender and diagnosis. Risk factors of unplanned extubation were categorized as people, technologies, tasks, environmental factors and organizational factors, by five components of the patient safety model. The results showed the risk factors of unplanned extubation as admission route [odds ratio (OR) = 1.8], Glasgow Coma Scale-motor (OR = 1.3), Acute Physiology and Chronic Health Evaluation score (OR = 1.06), agitation (OR = 9.0), delirium (OR = 11.6), mode of mechanical ventilation (OR = 3.0-4.1) and night shifts (OR = 6.0). The significant differences were found between the unplanned and the planned extubation groups on the number of reintubation (4.3% vs. 79.6%, p < .001), ICU outcome at the time of discharge (χ(2) = 50.7, p < .001), and length of stay in the ICU (27.0 ± 33.0 vs. 43.8 ± 43.5) after unplanned extubation. ICU nurses should be able to recognize the risk factors of unplanned extubation related with the components of the safety model so as to improve patient safety by minimizing the risk for unplanned extubation. Copyright © 2017. Published by Elsevier B.V.

  8. Endocrine Disrupting Chemicals in Fish: Developing Exposure Indicators and Predictive Models of Effects Based on Mechanism of Action

    EPA Science Inventory

    In this paper we provide an overview and illustrative results from a large, integrated project that assesses the effects of endocrine-disrupting chemicals (EDCs) on two small fish models, the fathead minnow (Pimephales promelas) and zebrafish (Danio rerio). For this work a syste...

  9. Teaching Mathematical Modelling in a Design Context: A Methodology Based on the Mechanical Analysis of a Domestic Cancrusher.

    ERIC Educational Resources Information Center

    Pace, Sydney

    2000-01-01

    Presents a methodology for teaching mathematical modeling skills to A-level students. Gives an example illustrating how mathematics teachers and design teachers can take joint perspective in devising learning opportunities that develop mathematical and design skills concurrently. (Contains 14 references.) (Author/ASK)

  10. Endocrine Disrupting Chemicals in Fish: Developing Exposure Indicators and Predictive Models of Effects Based on Mechanism of Action

    EPA Science Inventory

    In this paper we provide an overview and illustrative results from a large, integrated project that assesses the effects of endocrine-disrupting chemicals (EDCs) on two small fish models, the fathead minnow (Pimephales promelas) and zebrafish (Danio rerio). For this work a syste...

  11. Magneto-mechanical modeling study of CO-based amorphous micro- and nanowires for acoustic sensing medical applications

    NASA Astrophysics Data System (ADS)

    Atitoaie, Alexandru; Stancu, Alexandru; Ovari, Tibor-Adrian; Lupu, Nicoleta; Chiriac, Horia

    2016-04-01

    Magnetic nanowires are potential candidates for substituting, within enhanced cochlear implants, the role played by hair cilia from the inner ear, which are responsible for the transduction of acoustic vibrations into electric signals. The sound waves pressure that is bending the magnetic wires induces stresses that are leading to changes in magnetic properties, such as magnetization and permeability. These changes can be detected by a GMR sensor placed below the nanowire array or, in the case of different designs, by a pick-up coil wrapped around the fixed-end of the wires. For the latter case, we are studying the stress distributions caused by bending deformations using the COMSOL finite element software package. We are also proposing a theoretical method for the evaluation of magnetic permeability variation vs. induced stress dependence. The study is performed on CoFeSiB amorphous micro- and nanowires subjected to mechanical perturbations similar to the ones produced by sound pressure waves.

  12. Familial Dysautonomia: Mechanisms and Models

    PubMed Central

    Dietrich, Paula; Dragatsis, Ioannis

    2016-01-01

    Abstract Hereditary Sensory and Autonomic Neuropathies (HSANs) compose a heterogeneous group of genetic disorders characterized by sensory and autonomic dysfunctions. Familial Dysautonomia (FD), also known as HSAN III, is an autosomal recessive disorder that affects 1/3,600 live births in the Ashkenazi Jewish population. The major features of the disease are already present at birth and are attributed to abnormal development and progressive degeneration of the sensory and autonomic nervous systems. Despite clinical interventions, the disease is inevitably fatal. FD is caused by a point mutation in intron 20 of the IKBKAP gene that results in severe reduction in expression of IKAP, its encoded protein. In vitro and in vivo studies have shown that IKAP is involved in multiple intracellular processes, and suggest that failed target innervation and/or impaired neurotrophic retrograde transport are the primary causes of neuronal cell death in FD. However, FD is far more complex, and appears to affect several other organs and systems in addition to the peripheral nervous system. With the recent generation of mouse models that recapitulate the molecular and pathological features of the disease, it is now possible to further investigate the mechanisms underlying different aspects of the disorder, and to test novel therapeutic strategies. PMID:27561110

  13. Threat processing: models and mechanisms.

    PubMed

    Bentz, Dorothée; Schiller, Daniela

    2015-01-01

    The experience of fear is closely linked to the survival of species. Fear can be conceptualized as a brain state that orchestrates defense reactions to threats. To avoid harm, an organism must be equipped with neural circuits that allow learning, detecting, and rapidly responding to threats. Past experience with threat can transform neutral stimuli present at the time of experience into learned threat-related stimuli via associative learning. Pavlovian threat conditioning is the central experimental paradigm to study associative learning. Once learned, these stimulus-response associations are not always expressed depending on context or new experiences with the conditioned stimuli. Neural circuits mediating threat learning have the inherent plasticity to adapt to changing environmental threats. Encounters devoid of danger pave the way for extinction or reconsolidation to occur. Extinction and reconsolidation can both lead to changes in the expression of threat-induced defense responses, but differ in stability and have a different neural basis. This review presents the behavioral models and the system-level neural mechanisms in animals and humans of threat learning and modulation.

  14. Familial Dysautonomia: Mechanisms and Models.

    PubMed

    Dietrich, Paula; Dragatsis, Ioannis

    2016-01-01

    Hereditary Sensory and Autonomic Neuropathies (HSANs) compose a heterogeneous group of genetic disorders characterized by sensory and autonomic dysfunctions. Familial Dysautonomia (FD), also known as HSAN III, is an autosomal recessive disorder that affects 1/3,600 live births in the Ashkenazi Jewish population. The major features of the disease are already present at birth and are attributed to abnormal development and progressive degeneration of the sensory and autonomic nervous systems. Despite clinical interventions, the disease is inevitably fatal. FD is caused by a point mutation in intron 20 of the IKBKAP gene that results in severe reduction in expression of IKAP, its encoded protein. In vitro and in vivo studies have shown that IKAP is involved in multiple intracellular processes, and suggest that failed target innervation and/or impaired neurotrophic retrograde transport are the primary causes of neuronal cell death in FD. However, FD is far more complex, and appears to affect several other organs and systems in addition to the peripheral nervous system. With the recent generation of mouse models that recapitulate the molecular and pathological features of the disease, it is now possible to further investigate the mechanisms underlying different aspects of the disorder, and to test novel therapeutic strategies.

  15. Mechanism-based pharmacokinetic-pharmacodynamic modeling of salvianolic acid A effects on plasma xanthine oxidase activity and uric acid levels in acute myocardial infarction rats.

    PubMed

    Wang, Haidong; Li, Xi; Zhang, Wenting; Liu, Yao; Wang, Shijun; Liu, Xiaoquan; He, Hua

    2017-03-01

    1. Salvianolic acid A (SalA) was found to attenuate plasma uric acid (UA) concentration and xanthine oxidase (XO) activity in acute myocardial infraction (AMI) rats, which was characterized with developed mechanism-based pharmacokinetic-pharmacodynamic (PK-PD) model. 2. AMI was induced in rats by coronary artery ligation. Surviving AMI rats received a single intravenous dose of 5 mg/kg of SalA and normal saline. The plasma SalA concentrations were determined by HPLC-MS/MS method. The plasma UA concentrations were determined by HPLC method and plasma XO activity were measured spectrophotometrically. An integrated mathematical model characterized the relationship between plasma UA and SalA. 3. Pharmacokinetics was described using two-compartment model for SalA with linear metabolic process. In post-AMI rats, XO activity and UA concentrations were increased, while SalA dosing palliated this increase. These effects were well captured by using two series of transduction models, simulating the delay of inhibition on XO driven by SalA and UA elevation resulted from the multiple factors, respectively. 4. The effect was well described by the developed PK-PD model, indicating that SalA can exert cardiovascular protective effects by decreasing elevated plasma UA levels induced by AMI.

  16. Next-generation sequencing, FISH mapping and synteny-based modeling reveal mechanisms of decreasing dysploidy in Cucumis.

    PubMed

    Yang, Luming; Koo, Dal-Hoe; Li, Dawei; Zhang, Tao; Jiang, Jiming; Luan, Feishi; Renner, Susanne S; Hénaff, Elizabeth; Sanseverino, Walter; Garcia-Mas, Jordi; Casacuberta, Josep; Senalik, Douglas A; Simon, Philipp W; Chen, Jinfeng; Weng, Yiqun

    2014-01-01

    In the large Cucurbitaceae genus Cucumis, cucumber (C. sativus) is the only species with 2n = 2x = 14 chromosomes. The majority of the remaining species, including melon (C. melo) and the sister species of cucumber, C. hystrix, have 2n = 2x = 24 chromosomes, implying a reduction from n = 12 to n = 7. To understand the underlying mechanisms, we investigated chromosome synteny among cucumber, C. hystrix and melon using integrated and complementary approaches. We identified 14 inversions and a C. hystrix lineage-specific reciprocal inversion between C. hystrix and melon. The results reveal the location and orientation of 53 C. hystrix syntenic blocks on the seven cucumber chromosomes, and allow us to infer at least 59 chromosome rearrangement events that led to the seven cucumber chromosomes, including five fusions, four translocations, and 50 inversions. The 12 inferred chromosomes (AK1-AK12) of an ancestor similar to melon and C. hystrix had strikingly different evolutionary fates, with cucumber chromosome C1 apparently resulting from insertion of chromosome AK12 into the centromeric region of translocated AK2/AK8, cucumber chromosome C3 originating from a Robertsonian-like translocation between AK4 and AK6, and cucumber chromosome C5 originating from fusion of AK9 and AK10. Chromosomes C2, C4 and C6 were the result of complex reshuffling of syntenic blocks from three (AK3, AK5 and AK11), three (AK5, AK7 and AK8) and five (AK2, AK3, AK5, AK8 and AK11) ancestral chromosomes, respectively, through 33 fusion, translocation and inversion events. Previous results (Huang, S., Li, R., Zhang, Z. et al., , Nat. Genet. 41, 1275-1281; Li, D., Cuevas, H.E., Yang, L., Li, Y., Garcia-Mas, J., Zalapa, J., Staub, J.E., Luan, F., Reddy, U., He, X., Gong, Z., Weng, Y. 2011a, BMC Genomics, 12, 396) showing that cucumber C7 stayed largely intact during the entire evolution of Cucumis are supported. Results from this study allow a fine-scale understanding of the

  17. Scenario-based modelling of mass transfer mechanisms at a petroleum contaminated field site-numerical implications.

    PubMed

    Vasudevan, M; Nambi, Indumathi M; Suresh Kumar, G

    2016-06-15

    Knowledge about distribution of dissolved plumes and their influencing factors is essential for risk assessment and remediation of light non-aqueous phase liquid contamination in groundwater. Present study deals with the applicability of numerical model for simulating various hydro-geological scenarios considering non-uniform source distribution at a petroleum contaminated site in Chennai, India. The complexity associated with the hydrogeology of the site has limited scope for on-site quantification of petroleum pipeline spillage. The change in fuel composition under mass-transfer limited conditions was predicted by simultaneously comparing deviations in aqueous concentrations and activity coefficients (between Raoult's law and analytical approaches). The effects of source migration and weathering on the dissolution of major soluble fractions of petroleum fuel were also studied in relation to the apparent change in their activity coefficients and molar fractions. The model results were compared with field observations and found that field conditions were favourable for biodegradation, especially for the aromatic fraction (benzene and toluene (nearly 95% removal), polycyclic aromatic hydrocarbons (up to 65% removal) and xylene (nearly 45% removal). The results help to differentiate the effect of compositional non-ideality from rate-limited dissolution towards tailing of less soluble compounds (alkanes and trimethylbenzene). Although the effect of non-ideality decreased with distance from the source, the assumption of spatially varying residual saturation could effectively illustrate post-spill scenario by estimating the consequent decrease in mass transfer rate. Copyright © 2016 Elsevier Ltd. All rights reserved.

  18. Multiscale mechanical modeling of soft biological tissues

    NASA Astrophysics Data System (ADS)

    Stylianopoulos, Triantafyllos

    2008-10-01

    Soft biological tissues include both native and artificial tissues. In the human body, tissues like the articular cartilage, arterial wall, and heart valve leaflets are examples of structures composed of an underlying network of collagen fibers, cells, proteins and molecules. Artificial tissues are less complex than native tissues and mainly consist of a fiber polymer network with the intent of replacing lost or damaged tissue. Understanding of the mechanical function of these materials is essential for many clinical treatments (e.g. arterial clamping, angioplasty), diseases (e.g. arteriosclerosis) and tissue engineering applications (e.g. engineered blood vessels or heart valves). This thesis presents the derivation and application of a multiscale methodology to describe the macroscopic mechanical function of soft biological tissues incorporating directly their structural architecture. The model, which is based on volume averaging theory, accounts for structural parameters such as the network volume fraction and orientation, the realignment of the fibers in response to strain, the interactions among the fibers and the interactions between the fibers and the interstitial fluid in order to predict the overall tissue behavior. Therefore, instead of using a constitutive equation to relate strain to stress, the tissue microstructure is modeled within a representative volume element (RVE) and the macroscopic response at any point in the tissue is determined by solving a micromechanics problem in the RVE. The model was applied successfully to acellular collagen gels, native blood vessels, and electrospun polyurethane scaffolds and provided accurate predictions for permeability calculations in isotropic and oriented fiber networks. The agreement of model predictions with experimentally determined mechanical properties provided insights into the mechanics of tissues and tissue constructs, while discrepancies revealed limitations of the model framework.

  19. Switching mechanism in resistive random access memory by first-principles calculation using practical model based on experimental results

    NASA Astrophysics Data System (ADS)

    Moriyama, Takumi; Yamasaki, Takahiro; Hida, Sohta; Ohno, Takahisa; Kishida, Satoru; Kinoshita, Kentaro

    2017-04-01

    For the practical use of resistive random access memory (ReRAM), many formation/rupture models of conductive paths are proposed. In this paper, we report both the probability of conductive path formation on grain surfaces and the marked drastic change in conductivity caused by a small number of atoms migrating on grain surfaces, determined by using experimental and calculation results complementarily. Experimental results of resistive switching operating modes suggest that resistance changes at grain boundaries, to which our calculation results can give an explanation. The energy for the conductive change from a low-resistance state to a high-resistance state is estimated to be about 0.05 eV per surface atom, which is much smaller than the formation and migration energies of vacancies (1.44-4.42 eV) and is comparable to the estimated temperature of the conductive path in the reset process.

  20. Molecular analysis and modeling of inactivation of human CYP2D6 by four mechanism based inactivators.

    PubMed

    Livezey, Mara; Nagy, Leslie D; Diffenderfer, Laura E; Arthur, Evan J; Hsi, David J; Holton, Jeffrey M; Furge, Laura Lowe

    2012-03-01

    Human cytochrome P450 2D6 (CYP2D6) is involved in metabolism of approximately 25% of pharmaceutical drugs. Inactivation of CYP2D6 can lead to adverse drug interactions. Four inactivators of CYP2D6 have previously been identified: 5-Fluoro-2-[4-[(2-phenyl-1H-imidazol-5-yl)methyl]-1-piperazinyl]pyrimidine(SCH66712), (1-[(2-ethyl- 4-methyl-1H-imidazol-5-yl)-methyl]-4-[4-(trifluoromethyl)-2-pyridinyl]piperazine(EMTPP), paroxetine, and 3,4- methylenedioxymethamphetamine (MDMA). All four contain planar, aromatic groups as well as basic nitrogens common to CYP2D6 substrates. SCH66712 and EMTPP also contain piperazine groups and substituted imidazole rings that are common in pharmaceutical agents, though neither of these compounds is clinically relevant. Paroxetine and MDMA contain methylenedioxyphenyls. SCH66712 and EMTPP are both known protein adductors while paroxetine and MDMA are probable heme modifiers. The current study shows that each inactivator displays Type I binding with Ks values that vary by 2-orders of magnitude with lower Ks values associated with greater inactivation. Comparison of KI, kinact, and partition ratio values shows SCH66712 is the most potent inactivator. Molecular modeling experiments using AutoDock identify Phe120 as a key interaction for all four inactivators with face-to-face and edge-to-face pi interactions apparent. Distance between the ligand and heme iron correlates with potency of inhibition. Ligand conformations were scored according to their binding energies as calculated by AutoDock and correlation was observed between molecular models and Ks values.

  1. MOLECULAR ANALYSIS AND MODELING OF INACTIVATION OF HUMAN CYP2D6 BY FOUR MECHANISM BASED INACTIVATORS

    PubMed Central

    Livezey, Mara; Nagy, Leslie D.; Diffenderfer, Laura E.; Arthur, Evan J.; Hsi, David J.; Holton, Jeffrey M.; Furge, Laura Lowe

    2014-01-01

    Human cytochrome P450 2D6 (CYP2D6) is involved in metabolism of approximately 25% of pharmaceutical drugs. Inactivation of CYP2D6 can lead to adverse drug interactions. Four inactivators of CYP2D6 have previously been identified: 5-Fluoro-2-[4-[(2-phenyl-1H-imidazol-5-yl)methyl]-1-piperazinyl]pyrimidine (SCH66712), (1-[(2-ethyl-4-methyl-1H(-EMTPP-imidazol-5-yl)-methyl]-4-[4-(trifluoromethyl)-2-pyridinyl]piperazine (EMTPP), paroxetine, and 3,4-methylenedioxymethamphetamine (MDMA). All four contain planar, aromatic groups as well as basic nitrogens common to CYP2D6 substrates. SCH66712 and EMTPP also contain piperazine groups and substituted imidazole rings that are common in pharmaceutical agents, though neither of these compounds is clinically relevant. Paroxetine and MDMA contain methylenedioxyphenyls. SCH66712 and EMTPP are both known protein adductors while paroxetine and MDMA are probable heme modifiers. The current study shows that each inactivator displays Type I binding with Ks values that vary by 2-orders of magnitude with lower Ks values associated with greater inactivation. Comparison of KI, kinact, and partition ratio values shows SCH66712 is the most potent inactivator. Molecular modeling experiments using AutoDock identify Phe120 as a key interaction for all four inactivators with face-to-face and edge-to-face pi interactions apparent. Distance between the ligand and heme iron correlates with potency of inhibition. Ligand conformations were scored according to their binding energies as calculated by AutoDock and correlation was observed between molecular models and Ks values. PMID:22372551

  2. Mechanism of the Generation of 2008 Wenchuan Earthquake Based on 3D Visco-elastic Numerical Modelling

    NASA Astrophysics Data System (ADS)

    Liu, C.; Pubellier, M.; Zhu, B.; Shi, Y.

    2013-12-01

    Wenchuan earthquake (Mw7.9) occurred in Longmen Shan fault zone where the convergence rate was small (about 3mm/a). The stress change and crustal deformation during this accumulation period is computed using 3D finite element modelling assuming visco-elasticity and using the GPS data to quantify the boundary conditions. Our results support that the eastern movement of the Tibetan Plateau is obstructed at the Longmen Shan fault zone by the strong Yangtze craton. In response, the soft materials of the Tibetan ductile middle and lower crusts inflated vertically in the Tibetan Plateau and heaved and accumulated at the contact between the Tibetan Plateau and the Sichuan basin, which implies a strong vertical deformation of the upper crust at the Longmen Shan. This upwelling process may contribute to the Longmen Shan topography building and maintenance, and induces stress concentration at the bottom of the Longmen Shan fault. The stress concentration process is responsible for the Wenchuan earthquake. Two factors control this stress concentration. The first factor exerting as the primary reason is the large viscosity difference of the middle and the lower crusts between the Tibetan Plateau and the Sichuan basin. The second factor is the sharp reduction of the Moho depth across the Longmen Shan fault. Spatially the maximum stress accumulation rate in the upper crust of the eastern margin of the Tibetan Plateau is -3.6kPa/a at the bottom of the brittle upper crust of the Longmen Shan fault. The stress accumulation rate in the upper crust of the Tibetan Plateau is much higher than that of Sichuan basin. This stress rate spatial distribution may help to explain the earthquake spatial distribution that earthquakes (Ms>4.0) are densely recorded in the eastern Tibetan Plateau but rarely in the Sichuan basin. The spatial distribution of the stress accumulation along the Longmen Shan fault is as follows: the normal stress decreased while the shear stress increased from Southwest

  3. Cognitive mechanisms of visuomotor transformation in movement imitation: examining predictions based on models of apraxia and motor control.

    PubMed

    Gravenhorst, Robynne M; Walter, Charles B

    2009-11-01

    When we observe a movement and then reproduce it, how is this visual input transformed into motor output? Studies on stroke patients with apraxia suggest that there may be two distinct routes used for gesture imitation; an indirect route that recruits stored movement memories (motor programs) and a direct route that bypasses them. The present study examined 30 healthy adults ages 18-80 (mean age=44.0 years, SD=19.5) to learn how motor programs are recruited or bypassed in movement imitation depending upon task conditions (whether familiar letters or novel shapes are imitated) and perceptual factors (whether shapes or letters are perceived). Subjects were asked to imitate the movements of a model who formed shapes and letters on a sheer mesh screen, and to report whether they perceived the task as a shape or a letter. Movements were recorded using a Vicon motion analysis system, and subsequently analyzed to determine the degree of difference between the demonstrated and produced movements. As predicted, letter perception on the letter tasks resulted in increased temporal error when the demonstrated stroke order conflicted with subjects' habitual pattern of letter formation. No such interference effects were observed when the letter tasks were perceived as shapes. These findings are discussed in the context of current theories on imitation, and implications for rehabilitation and motor re-learning are presented.

  4. Toxic heavy metal capture using a novel electronic waste-based material-mechanism, modeling and comparison.

    PubMed

    Hadi, Pejman; Barford, John; McKay, Gordon

    2013-08-06

    In the modern communication era, the disposal of printed circuit boards is ecologically of dire concern on a global scale. The two prevalent methods applied for the disposal of this waste are either incineration or landfilling both of which are viewed with skepticism due to their negative environmental impact. Activation of the nonmetallic fraction of this waste leads to the development of a mesoporous material with highly functional groups which can potentially be applied for heavy metal uptake. The removal of copper, lead, and zinc was studied employing a cost-effective novel adsorbent based on waste printed circuit boards. The results indicate that the modification of the original e-waste material has a considerable effect on its surface area enhancement. Adsorption experiments revealed that the modified novel material had uptake capacities of 2.9 mmol Cu, 3.4 mmol Pb, and 2.0 mmol Zn per each gram of the adsorbent which are significantly higher values than its commercial counterparts used in industry.

  5. Albumin and Uptake of Drugs in Cells: Additional Validation Exercises of a Recently Published Equation that Quantifies the Albumin-Facilitated Uptake Mechanism(s) in Physiologically Based Pharmacokinetic and Pharmacodynamic Modeling Research.

    PubMed

    Poulin, Patrick; Haddad, Sami

    2015-12-01

    correction while the experimental data are generated either without albumin or with varied albumin concentrations, in order to predict more accurately the in vivo conditions in physiologically-based pharmacokinetic and pharmacodynamic (PBPK/PD) modeling research. Overall, the protein-facilitated uptake mechanism(s) could be another paradigm shift in addition to a previous paradigm related to the pH gradient effect.

  6. Determination of focal mechanisms of intermediate-magnitude earthquakes in Mexico, based on Greens functions calculated for a 3D Earth model

    NASA Astrophysics Data System (ADS)

    Rodrigo Rodríguez Cardozo, Félix; Hjörleifsdóttir, Vala

    2015-04-01

    One important ingredient in the study of the complex active tectonics in Mexico is the analysis of earthquake focal mechanisms, or the seismic moment tensor. They can be determined trough the calculation of Green functions and subsequent inversion for moment-tensor parameters. However, this calculation is gets progressively more difficult as the magnitude of the earthquakes decreases. Large earthquakes excite waves of longer periods that interact weakly with laterally heterogeneities in the crust. For these earthquakes, using 1D velocity models to compute the Greens fucntions works well. The opposite occurs for smaller and intermediate sized events, where the relatively shorter periods excited interact strongly with lateral heterogeneities in the crust and upper mantle and requires more specific or regional 3D models. In this study, we calculate Greens functions for earthquakes in Mexico using a laterally heterogeneous seismic wave speed model, comprised of mantle model S362ANI (Kustowski et al 2008) and crustal model CRUST 2.0 (Bassin et al 1990). Subsequently, we invert the observed seismograms for the seismic moment tensor using a method developed by Liu et al (2004) an implemented by Óscar de La Vega (2014) for earthquakes in Mexico. By following a brute force approach, in which we include all observed Rayleigh and Love waves of the Mexican National Seismic Network (Servicio Sismológico Naciona, SSN), we obtain reliable focal mechanisms for events that excite a considerable amount of low frequency waves (Mw > 4.8). However, we are not able to consistently estimate focal mechanisms for smaller events using this method, due to high noise levels in many of the records. Excluding the noisy records, or noisy parts of the records manually, requires interactive edition of the data, using an efficient tool for the editing. Therefore, we developed a graphical user interface (GUI), based on python and the python library ObsPy, that allows the edition of observed and

  7. A mechanical model of overnight hair curling.

    PubMed

    Xiao, Hang; Chen, Xi

    2015-09-01

    Based on the observation of overnight hair curling procedure, we establish a mechanical model to describe the temporary wave formation of straight hair (initial curvature is zero), which incorporates the contact between hair and hair roller. Systematic studies are carried out to explore the effects of radius ratio between hair and hair roller, hair's average axial strain, creep time, Poisson's ratio and gravity on the curl retention. The variation of curl retention with respect to time obtained from our numerical model is validated by a simple theoretical model and by overnight curling experiments on hair samples. The results of simulation show that overnight hair curling is suitable to create a wavy hairstyle within about 7 hours, while the combined usage with hair fixatives enables a wavy hairstyle with desired curvature that lasts for a day or more.

  8. Characterization of the mechanical properties of a new grade of ultra high molecular weight polyethylene and modeling with the viscoplasticity based on overstress.

    PubMed

    Khan, Fazeel; Yeakle, Colin; Gomaa, Said

    2012-02-01

    Enhancements to the service life and performance of orthopedic implants used in total knee and hip replacement procedures can be achieved through optimization of design and the development of superior biocompatible polymeric materials. The introduction of a new or modified polymer must, naturally, be preceded by a rigorous testing program. This paper presents the assessment of the mechanical properties of a new filled grade of ultra high molecular weight polyethylene (UHMWPE) designated AOX(TM) and developed by DePuy Orthopaedics Inc. The deformation behavior was investigated through a series of tensile and compressive tests including strain rate sensitivity, creep, relaxation, and recovery. The polymer was found to exhibit rate-reversal behavior for certain loading histories: strain rate during creep with a compressive stress can be negative, positive, or change between the two during a test. Analogous behavior occurs during relaxation as well. This behavior lies beyond the realm of most numerical models used to computationally investigate and improve part geometry through finite element analysis of components. To address this shortcoming, the viscoplasticity theory based on overstress (VBO) has been suitably modified to capture these trends. VBO is a state variable based model in a differential formulation. Numerical simulation and prediction of all of the aforementioned tests, including good reproduction of the rate reversal behavior, is presented in this study. Copyright © 2011 Elsevier Ltd. All rights reserved.

  9. Development of a fracture mechanics/threshold behavior model to assess the effects of competing mechanisms induced by shot peening on cyclic life of a nickel-base superalloy, Rene 88DT

    NASA Astrophysics Data System (ADS)

    Tufft, Marsha Klopmeier

    This research establishes an improved lower-bound predictive method for the cyclic life of shot peened specimens made from a nickel-base superalloy, Rene 88DT. Based on previous work, shot peening is noted to induce the equivalent of fatigue damage, in addition to the beneficial compressive residual stresses. The ability to quantify the relative effects of various shot peening treatments on cyclic life capability provides a basis for more economic use of shot peening, and selection of shot peening parameters to meet design and life requirements, while minimizing production costs. The predictive method developed consists of two major elements: (1) a Fracture Mechanics Model, which accounts for changes in microstructure, residual stress and topography induced by shot peening, and (2) a Threshold Behavior Map which identifies both crack nucleation and crack propagation thresholds. When both thresholds are crossed, life capability can be evaluated using the Fracture Mechanics model developed. When the crack propagation threshold is exceeded but the crack nucleation threshold is not, the FM method produces a conservative lower-bound estimate of life capability. A unique contribution is the characterization of damage induced by peening by an initial flaw size from microstructural observations of slip depth. Observations of crack formation along slip band in a model disk provide reinforcement for defining a flaw size from slip measurements. Supporting research includes: (1) metallurgical and microstructural evaluation of single impact dimples and production peened coupons, (2) instrumented Single Particle Impact Tests, characterizing changes in material response due to variations in impact conditions (particle size, incidence angle, velocity), (3) duplication of 16 peening conditions used in a designed experiment, characterizing slip depth, residual stress profiles, surface roughness and velocity measurements taken during production peening conditions.

  10. Modeling of hydro-thermo-mechanical behavior of Nafion NRE212 for Polymer Electrolyte Membrane Fuel Cells using the Finite Viscoplasticity Theory Based on Overstress for Polymers (FVBOP)

    NASA Astrophysics Data System (ADS)

    Colak, Ozgen U.; Acar, Alperen

    2013-08-01

    The primary aim of this work is to present the modifications made to the Finite Viscoplasticity Theory Based on Overstress for Polymers (FVBOP). This is a unified state variable theory and the proposed changes are designed to account for humidity and temperature effects relevant to the modeling of the hydrothermal deformation behavior of ionomer membranes used in Polymer Electrolyte Membrane Fuel Cells (PEMFC). Towards that end, the flow function, which is responsible for conferring rate dependency in FVBOP, is modified. A secondary objective of this work was to investigate the feasibility of using the storage modulus obtained by Dynamic Mechanical Analysis (DMA) in place of the elasticity modulus obtained from conventional tensile/compressive tests, and find the correlation between the storage modulus and the elasticity modulus. The numerical simulations were juxtaposed against data from tensile monotonic loading and unloading experiments on perfluorosulfonic acid (PFSA) membrane Nafion NRE212 samples which are used extensively as a membrane material in PEMFC. The deformation behavior was modeled at four different temperatures (298, 323, 338, and 353 K—all values below the glass transition temperature of Nafion) and at three water content levels (3, 7 and 8 % swelling). The effects of strain rate, temperature, and hydration were captured well with the modified FVBOP model.

  11. Mechanical Model Development for Composite Structural Supercapacitors

    NASA Technical Reports Server (NTRS)

    Ricks, Trenton M.; Lacy, Thomas E., Jr.; Santiago, Diana; Bednarcyk, Brett A.

    2016-01-01

    Novel composite structural supercapacitor concepts have recently been developed as a means both to store electrical charge and to provide modest mechanical load carrying capability. Double-layer composite supercapacitors are often fabricated by impregnating a woven carbon fiber fabric, which serves as the electrodes, with a structural polymer electrolyte. Polypropylene or a glass fabric is often used as the separator material. Recent research has been primarily limited to evaluating these composites experimentally. In this study, mechanical models based on the Multiscale Generalized Method of Cells (MSGMC) were developed and used to calculate the shear and tensile properties and response of two composite structural supercapacitors from the literature. The modeling approach was first validated against traditional composite laminate data. MSGMC models for composite supercapacitors were developed, and accurate elastic shear/tensile properties were obtained. It is envisioned that further development of the models presented in this work will facilitate the design of composite components for aerospace and automotive applications and can be used to screen candidate constituent materials for inclusion in future composite structural supercapacitor concepts.

  12. Kinetics of FcRn-mediated recycling of IgG and albumin in human: Pathophysiology and therapeutic implications using a simplified mechanism-based model

    PubMed Central

    Kim, Jonghan; Hayton, William L.; Robinson, John M.; Anderson, Clark L.

    2009-01-01

    The nonclassical MHC class-I molecule, FcRn, salvages both IgG and albumin from degradation. Here we introduce a mechanism-based kinetic model for human to quantify FcRn-mediated recycling of both ligands based on saturable kinetics and data from the literature using easily measurable plasma concentrations rather than unmeasurable endosomal concentrations. The FcRn-mediated fractional recycling rates of IgG and albumin were 142% and 44% of their fractional catabolic rates, respectively. Clearly, FcRn-mediated recycling is a major contributor to the high endogenous concentrations of these two important plasma proteins. While familial hypercatabolic hypoproteinemia is caused by complete FcRn deficiency, the hypercatabolic IgG deficiency of myotonic dystrophy could be explained, based on the kinetic analyses, by a normal number of FcRn with lowered affinity for IgG but normal affinity for albumin. A simulation study demonstrates that the plasma concentrations of IgG and albumin could be dynamically controlled by both FcRn-related and -unrelated parameters. PMID:17046328

  13. Magneto-mechanical modeling of electrical steel sheets

    NASA Astrophysics Data System (ADS)

    Aydin, U.; Rasilo, P.; Martin, F.; Singh, D.; Daniel, L.; Belahcen, A.; Rekik, M.; Hubert, O.; Kouhia, R.; Arkkio, A.

    2017-10-01

    A simplified multiscale approach and a Helmholtz free energy based approach for modeling the magneto-mechanical behavior of electrical steel sheets are compared. The models are identified from uniaxial magneto-mechanical measurements of two different electrical steel sheets which show different magneto-elastic behavior. Comparison with the available measurement data of the materials shows that both models successfully model the magneto-mechanical behavior of one of the studied materials, whereas for the second material only the Helmholtz free energy based approach is successful.

  14. Demonstrating the Stretch Reflex: A Mechanical Model.

    ERIC Educational Resources Information Center

    Batavia, Mitchell; McDonough, Andrew L.

    2000-01-01

    Explains the concept of stretch reflexes to students using a mechanical model. The model provides a dynamic multisensory experience using movement, light, and sound. Describes the construction design. (SAH)

  15. Demonstrating the Stretch Reflex: A Mechanical Model.

    ERIC Educational Resources Information Center

    Batavia, Mitchell; McDonough, Andrew L.

    2000-01-01

    Explains the concept of stretch reflexes to students using a mechanical model. The model provides a dynamic multisensory experience using movement, light, and sound. Describes the construction design. (SAH)

  16. Modelling a Simple Mechanical System.

    ERIC Educational Resources Information Center

    Morland, Tim

    1999-01-01

    Provides an example of the modeling power of Mathematics, demonstrated in a piece of A-Level student coursework which was undertaken as part of the MEI Structured Mathematics scheme. A system of two masses and two springs oscillating in one dimension is found to be accurately modeled by a system of linear differential equations. (Author/ASK)

  17. A dynamical study of the mechanical stimuli and tissue differentiation within a CaP scaffold based on micro-CT finite element models.

    PubMed

    Sandino, Clara; Lacroix, Damien

    2011-07-01

    The control of the mechanical stimuli transmitted to the cells is critical for the design of functional scaffolds for tissue engineering. The objective of this study was to investigate the dynamics of the mechanical stimuli transmitted to the cells during tissue differentiation in an irregular morphology scaffold under compressive load and perfusion flow. A calcium phosphate-based glass porous scaffold was used. The solid phase and the fluid flow within the pores were modeled as linear elastic solid material and Newtonian fluid, respectively. In the fluid model, different levels of viscosity were used to simulate tissue differentiation. Compressive strain of 0.5% and fluid flow with constant inlet velocity of 10 μm/s or constant inlet pressure of 3 Pa were applied. Octahedral shear strain and fluid shear stress were used as mechano-regulatory stimuli. For constant inlet velocity, stimuli equivalent to bone were predicted in 80% of pore volume for the case of low tissue viscosity. For the cases of high viscosity, fluctuations between stimuli equivalent to tissue formation and cell death were predicted due to the increase in the fluid shear stress when tissue started to fill pores. When constant pressure was applied, stimuli equivalent to bone were predicted in 62% of pore volume when low tissue viscosity was used and 42% when high tissue viscosity was used. This study predicted critical variations of fluid shear stress when cells differentiated. If these variations are not controlled in vitro, they can impede the formation of new matured tissue.

  18. Individual-based energetic model suggests bottom up mechanisms for the impact of coastal hypoxia on Pacific harbor seal (Phoca vitulina richardii) foraging behavior.

    PubMed

    Steingass, Sheanna; Horning, Markus

    2017-03-07

    Wind-driven coastal hypoxia represents an environmental stressor that has the potential to drive redistribution of gilled marine organisms, and thereby indirectly affect the foraging characteristics of air-breathing upper trophic-level predators. We used a conceptual individual-based model to simulate effects of coastal hypoxia on the spatial foraging behavior and efficiency of a marine mammal, the Pacific harbor seal (Phoca vitulina richardii) on the Oregon coast. Habitat compression of fish was simulated at varying intensities of hypoxia. Modeled hypoxia affected up to 80% of the water column and half of prey species' horizontal habitat. Pacific sand lance (Ammodytes hexapterus), Pacific herring (Clupea pallasii), and English sole (Parophrys vetulus) were selected as representative harbor seal prey species. Model outputs most affected by coastal hypoxia were seal travel distance to foraging sites, time spent at depth during foraging dives, and daily energy balance. For larger seals, English sole was the most optimal prey during normoxia, however during moderate to severe hypoxia Pacific sand lance was the most beneficial prey. For smaller seals, Pacific herring was the most efficient prey species during normoxia, but sand lance became more efficient as hypoxia increased. Sand lance represented the highest increase in foraging efficiency during severe hypoxic events for all seals. Results suggest that during increasing hypoxia, smaller adult harbor seals could benefit by shifting from foraging on larger neritic schooling fishes to foraging closer inshore on less energetically-dense forage fish. Larger adult seals may benefit by shifting from foraging on groundfish to smaller, schooling neritic fishes as hypoxia increases. The model suggests a mechanism by which hypoxia may result in increased foraging efficiency of Pacific harbor seals, and therefore increased rates of predation on coastal fishes on the continental shelf during hypoxic events.

  19. Coupled magneto-electro-mechanical lumped parameter model for a novel vibration-based magneto-electro-elastic energy harvesting systems

    NASA Astrophysics Data System (ADS)

    Shirbani, Meisam Moory; Shishesaz, Mohammad; Hajnayeb, Ali; Sedighi, Hamid Mohammad

    2017-06-01

    The objective of this paper is to present a coupled magneto-electro-mechanical (MEM) lumped parameter model for the response of the proposed magneto-electro-elastic (MEE) energy harvesting systems under base excitation. The proposed model can be used to create self-powering systems, which are not limited to a finite battery energy. As a novel approach, the MEE composites are used instead of the conventional piezoelectric materials in order to enhance the harvested electrical power. The considered structure consists of a MEE layer deposited on a layer of non-MEE material, in the framework of unimorph cantilever bars (longitudinal displacement) and beams (transverse displacement). To use the generated electrical potential, two electrodes are connected to the top and bottom surfaces of the MEE layer. Additionally, a stationary external coil is wrapped around the vibrating structure to induce a voltage in the coil by the magnetic field generated in the MEE layer. In order to simplify the design procedure of the proposed energy harvester and obtain closed form solutions, a lumped parameter model is prepared. As a first step in modeling process, the governing constitutive equations, Gauss's and Faraday's laws, are used to derive the coupled MEM differential equations. The derived equations are then solved analytically to obtain the dynamic behavior and the harvested voltages and powers of the proposed energy harvesting systems. Finally, the influences of the parameters that affect the performance of the MEE energy harvesters such as excitation frequency, external resistive loads and number of coil turns are discussed in detail. The results clearly show the benefit of the coil circuit implementation, whereby significant increases in the total useful harvested power as much as 38% and 36% are obtained for the beam and bar systems, respectively.

  20. Statistical mechanics based on fractional classical and quantum mechanics

    SciTech Connect

    Korichi, Z.; Meftah, M. T.

    2014-03-15

    The purpose of this work is to study some problems in statistical mechanics based on the fractional classical and quantum mechanics. At first stage we have presented the thermodynamical properties of the classical ideal gas and the system of N classical oscillators. In both cases, the Hamiltonian contains fractional exponents of the phase space (position and momentum). At the second stage, in the context of the fractional quantum mechanics, we have calculated the thermodynamical properties for the black body radiation, studied the Bose-Einstein statistics with the related problem of the condensation and the Fermi-Dirac statistics.

  1. Statistical mechanics based on fractional classical and quantum mechanics

    SciTech Connect

    Korichi, Z.; Meftah, M. T.

    2014-03-15

    The purpose of this work is to study some problems in statistical mechanics based on the fractional classical and quantum mechanics. At first stage we have presented the thermodynamical properties of the classical ideal gas and the system of N classical oscillators. In both cases, the Hamiltonian contains fractional exponents of the phase space (position and momentum). At the second stage, in the context of the fractional quantum mechanics, we have calculated the thermodynamical properties for the black body radiation, studied the Bose-Einstein statistics with the related problem of the condensation and the Fermi-Dirac statistics.

  2. Study of laser-plasma interaction using a physics-based model for understanding the physical mechanism of double-pulse effect in nanosecond laser ablation

    SciTech Connect

    Wu Benxin; Zhou Yun; Forsman, Andrew

    2009-12-21

    This paper studies the double-pulse effect in high-intensity ({>=}{approx}GW/cm{sup 2}) nanosecond (ns) laser ablation, which refers to the significant material removal rate enhancement for ablation by two ns laser pulses (often separated by a delay time of {approx}10 to 100 ns). The early-stage interaction of the second laser pulse with the plasma plume created by the first pulse is very important for understanding the physical mechanism of the double pulse effect. However, the plasma properties in the early stage (during a laser pulse or within 20 to 30 ns after the completion of the pulse) are very difficult to measure experimentally. In this letter, a physics-based predictive model is used as the investigation tool, which was previously verified based on experiments on plasma properties in the late stage, which are relatively easy to measure. The study shows that the second laser pulse does not directly strike the target condensed phase. Instead, it mainly interacts with the plasma plume created by the first laser pulse, heats and accelerates the ablated material in the plume lingering above the target surface.

  3. Modelling the molecular mechanisms of aging

    PubMed Central

    Mc Auley, Mark T.; Guimera, Alvaro Martinez; Hodgson, David; Mcdonald, Neil; Mooney, Kathleen M.; Morgan, Amy E.

    2017-01-01

    The aging process is driven at the cellular level by random molecular damage that slowly accumulates with age. Although cells possess mechanisms to repair or remove damage, they are not 100% efficient and their efficiency declines with age. There are many molecular mechanisms involved and exogenous factors such as stress also contribute to the aging process. The complexity of the aging process has stimulated the use of computational modelling in order to increase our understanding of the system, test hypotheses and make testable predictions. As many different mechanisms are involved, a wide range of models have been developed. This paper gives an overview of the types of models that have been developed, the range of tools used, modelling standards and discusses many specific examples of models that have been grouped according to the main mechanisms that they address. We conclude by discussing the opportunities and challenges for future modelling in this field. PMID:28096317

  4. Modelling the molecular mechanisms of aging.

    PubMed

    Mc Auley, Mark T; Guimera, Alvaro Martinez; Hodgson, David; Mcdonald, Neil; Mooney, Kathleen M; Morgan, Amy E; Proctor, Carole J

    2017-02-28

    The aging process is driven at the cellular level by random molecular damage that slowly accumulates with age. Although cells possess mechanisms to repair or remove damage, they are not 100% efficient and their efficiency declines with age. There are many molecular mechanisms involved and exogenous factors such as stress also contribute to the aging process. The complexity of the aging process has stimulated the use of computational modelling in order to increase our understanding of the system, test hypotheses and make testable predictions. As many different mechanisms are involved, a wide range of models have been developed. This paper gives an overview of the types of models that have been developed, the range of tools used, modelling standards and discusses many specific examples of models that have been grouped according to the main mechanisms that they address. We conclude by discussing the opportunities and challenges for future modelling in this field.

  5. Mechanism and modeling of interphase boundary precipitation

    NASA Astrophysics Data System (ADS)

    Meng, Weigang

    Part 1. Mechanism of interphase boundary carbide precipitation in pearlite. Carbide precipitation, containing microalloying elements such as V, Ti, Nb, has been used in steels for decades to increase their yield strength. One mode of the carbide precipitation is InterPhase Boundary (IPR) carbide precipitation. The morphology consists of characteristically aligned rows (planar sheets in three dimension, a special type of "lamellar" structure) or curved rows (non-planar sheets in 3D) of carbides which are associated with the growth interface in both proeutectoid and pearlitic ferrite. The exact mechanism of IPB carbide precipitation is still questioned. IPB vanadium carbide (VC) precipitation at temperatures between 750sp°C and 600sp°C has been investigated by Transmission Electron Microscopy (TEM) in an Fe-C-V steel. The intersection of two sets of VC sheets (both planar and non-planar) within the same proeutectoid ferrite grain reveals the existence of "steps", which is strong evidence in support of the multi-ledge/structural ledge formation mechanism for both planar and non-planar sheets of VC. The formation of IPB carbides can be explained by the multi-ledge/structural ledge mechanism of Aaronson et al. which states that the ferrite/VC transformation occurs through the lateral migration of steps, which are likely inclined to each other and contain structural ledges. It is demonstrated that the IPB vanadium carbide precipitation in pearlite is very similar to that in proeutectoid ferrite. Direction steps at the interlamellar interface are frequently found to intersect with the VC rows. Based on this new evidence and previous work by Hackney, Zhou and Shiflet a shared ledge and a multi-ledge mechanism are proposed for the formation of planar and curved sheets of carbides in pearlite, respectively. A bowing or quasi-ledge mechanism for IPB carbide precipitation in pearlite is an alternate mechanism that will be discussed. Analysis is based within the context of

  6. Neurocomputational Nosology: Malfunctions of Models and Mechanisms

    PubMed Central

    Barack, David L.; Platt, Michael L.

    2016-01-01

    Executive dysfunctions, psychopathologies arising from problems in the control and regulation of behavior, can occur as a result of the faulty execution of formal information processing models or as a result of malfunctioning neural mechanisms. The models correspond to the formal descriptions of how signals in the environment must be transformed in order to behave adaptively, and the mechanisms correspond to the signal transformations that nervous systems implement in order to execute those cognitive functions. Mechanisms in the form of repeated patterns of neural dynamics execute information processing models. Two distinct modes of malfunction can occur when neural dynamics execute models of information processing. The processing models describing behavior may fail to be executed correctly by neural mechanisms. Or, the neural mechanisms may malfunction, failing to implement the right computation. As an example of malfunctioning models in executive cognition, purported failures of rule following can be understood as failures to appropriately execute a suite of processing models. As an example of malfunctioning mechanisms of executive cognition, maladaptive behavior resulting from dysfunction in the medial prefrontal cortex (mPFC) can be understood as failures in the signal transformations carried out therein. The purpose of these examples is to illustrate the potential benefits of considering models and mechanisms in the diagnosis and etiology of neuropsychological illness and dysfunction, especially disorders of executive cognition. PMID:27199835

  7. Neurocomputational Nosology: Malfunctions of Models and Mechanisms.

    PubMed

    Barack, David L; Platt, Michael L

    2016-01-01

    Executive dysfunctions, psychopathologies arising from problems in the control and regulation of behavior, can occur as a result of the faulty execution of formal information processing models or as a result of malfunctioning neural mechanisms. The models correspond to the formal descriptions of how signals in the environment must be transformed in order to behave adaptively, and the mechanisms correspond to the signal transformations that nervous systems implement in order to execute those cognitive functions. Mechanisms in the form of repeated patterns of neural dynamics execute information processing models. Two distinct modes of malfunction can occur when neural dynamics execute models of information processing. The processing models describing behavior may fail to be executed correctly by neural mechanisms. Or, the neural mechanisms may malfunction, failing to implement the right computation. As an example of malfunctioning models in executive cognition, purported failures of rule following can be understood as failures to appropriately execute a suite of processing models. As an example of malfunctioning mechanisms of executive cognition, maladaptive behavior resulting from dysfunction in the medial prefrontal cortex (mPFC) can be understood as failures in the signal transformations carried out therein. The purpose of these examples is to illustrate the potential benefits of considering models and mechanisms in the diagnosis and etiology of neuropsychological illness and dysfunction, especially disorders of executive cognition.

  8. Models of Cerebral System Mechanics.

    DTIC Science & Technology

    1986-07-20

    flow. The model predicts the pressure waves in the various compartments of the intracranial region in response to changes in the arterial pressure...fluid to the extracellular region of the brain tissue but because of the blood-brain barrier, it is hardly measurable in a tenth of ml/min. It is... regional cerebral blood flow (Symon and Hingzpeter, 1977). If the small vessel disease continues, equation (9) may again prevail and a further

  9. A combined experimental atomic force microscopy-based nanoindentation and computational modeling approach to unravel the key contributors to the time-dependent mechanical behavior of single cells.

    PubMed

    Florea, Cristina; Tanska, Petri; Mononen, Mika E; Qu, Chengjuan; Lammi, Mikko J; Laasanen, Mikko S; Korhonen, Rami K

    2017-02-01

    Cellular responses to mechanical stimuli are influenced by the mechanical properties of cells and the surrounding tissue matrix. Cells exhibit viscoelastic behavior in response to an applied stress. This has been attributed to fluid flow-dependent and flow-independent mechanisms. However, the particular mechanism that controls the local time-dependent behavior of cells is unknown. Here, a combined approach of experimental AFM nanoindentation with computational modeling is proposed, taking into account complex material behavior. Three constitutive models (porohyperelastic, viscohyperelastic, poroviscohyperelastic) in tandem with optimization algorithms were employed to capture the experimental stress relaxation data of chondrocytes at 5 % strain. The poroviscohyperelastic models with and without fluid flow allowed through the cell membrane provided excellent description of the experimental time-dependent cell responses (normalized mean squared error (NMSE) of 0.003 between the model and experiments). The viscohyperelastic model without fluid could not follow the entire experimental data that well (NMSE = 0.005), while the porohyperelastic model could not capture it at all (NMSE = 0.383). We also show by parametric analysis that the fluid flow has a small, but essential effect on the loading phase and short-term cell relaxation response, while the solid viscoelasticity controls the longer-term responses. We suggest that the local time-dependent cell mechanical response is determined by the combined effects of intrinsic viscoelasticity of the cytoskeleton and fluid flow redistribution in the cells, although the contribution of fluid flow is smaller when using a nanosized probe and moderate indentation rate. The present approach provides new insights into viscoelastic responses of chondrocytes, important for further understanding cell mechanobiological mechanisms in health and disease.

  10. Indentation analysis of nano-particle using nano-contact mechanics models during nano-manipulation based on atomic force microscopy

    NASA Astrophysics Data System (ADS)

    Daeinabi, Khadijeh; Korayem, Moharam Habibnejad

    2011-03-01

    Atomic force microscopy is applied to measure intermolecular forces and mechanical properties of materials, nano-particle manipulation, surface scanning and imaging with atomic accuracy in the nano-world. During nano-manipulation process, contact forces cause indentation in contact area between nano-particle and tip/substrate which is considerable at nano-scale and affects the nano-manipulation process. Several nano-contact mechanics models such as Hertz, Derjaguin-Muller-Toporov (DMT), Johnson-Kendall-Roberts-Sperling (JKRS), Burnham-Colton-Pollock (BCP), Maugis-Dugdale (MD), Carpick-Ogletree-Salmeron (COS), Pietrement-Troyon (PT), and Sun et al. have been applied as the continuum mechanics approaches at nano-scale. In this article, indentation depth and contact radius between tip and substrate with nano-particle for both spherical and conical tip shape during nano-manipulation process are analyzed and compared by applying theoretical, semiempirical, and empirical nano-contact mechanics models. The effects of adhesion force, as the main contrast point in different nano-contact mechanics models, on nano-manipulation analysis is investigated for different contact radius, and the critical point is discussed for mentioned models.

  11. Modeling mechanical response of heterogeneous materials

    NASA Astrophysics Data System (ADS)

    Pal, Siladitya

    Heterogeneous materials are ubiquitous in nature and as synthetic materials. These materials provide unique combination of desirable mechanical properties emerging from its heterogeneities at different length scales. Future structural and technological applications will require the development of advanced light weight materials with superior strength and toughness. Cost effective design of the advanced high performance synthetic materials by tailoring their microstructure is the challenge facing the materials design community. Prior knowledge of structure-property relationships for these materials is imperative for optimal design. Thus, understanding such relationships for heterogeneous materials is of primary interest. Furthermore, computational burden is becoming critical concern in several areas of heterogeneous materials design. Therefore, computationally efficient and accurate predictive tools are highly essential. In the present study, we mainly focus on mechanical behavior of soft cellular materials and tough biological material such as mussel byssus thread. Cellular materials exhibit microstructural heterogeneity by interconnected network of same material phase. However, mussel byssus thread comprises of two distinct material phases. A robust numerical framework is developed to investigate the micromechanisms behind the macroscopic response of both of these materials. Using this framework, effect of microstuctural parameters has been addressed on the stress state of cellular specimens during split Hopkinson pressure bar test. A voronoi tessellation based algorithm has been developed to simulate the cellular microstructure. Micromechanisms (microinertia, microbuckling and microbending) governing macroscopic behavior of cellular solids are investigated thoroughly with respect to various microstructural and loading parameters. To understand the origin of high toughness of mussel byssus thread, a Genetic Algorithm (GA) based optimization framework has been

  12. Molecular model with quantum mechanical bonding information.

    PubMed

    Bohórquez, Hugo J; Boyd, Russell J; Matta, Chérif F

    2011-11-17

    The molecular structure can be defined quantum mechanically thanks to the theory of atoms in molecules. Here, we report a new molecular model that reflects quantum mechanical properties of the chemical bonds. This graphical representation of molecules is based on the topology of the electron density at the critical points. The eigenvalues of the Hessian are used for depicting the critical points three-dimensionally. The bond path linking two atoms has a thickness that is proportional to the electron density at the bond critical point. The nuclei are represented according to the experimentally determined atomic radii. The resulting molecular structures are similar to the traditional ball and stick ones, with the difference that in this model each object included in the plot provides topological information about the atoms and bonding interactions. As a result, the character and intensity of any given interatomic interaction can be identified by visual inspection, including the noncovalent ones. Because similar bonding interactions have similar plots, this tool permits the visualization of chemical bond transferability, revealing the presence of functional groups in large molecules.

  13. Mechanical modelling of tooth wear.

    PubMed

    Karme, Aleksis; Rannikko, Janina; Kallonen, Aki; Clauss, Marcus; Fortelius, Mikael

    2016-07-01

    Different diets wear teeth in different ways and generate distinguishable wear and microwear patterns that have long been the basis of palaeodiet reconstructions. Little experimental research has been performed to study them together. Here, we show that an artificial mechanical masticator, a chewing machine, occluding real horse teeth in continuous simulated chewing (of 100 000 chewing cycles) is capable of replicating microscopic wear features and gross wear on teeth that resemble wear in specimens collected from nature. Simulating pure attrition (chewing without food) and four plant material diets of different abrasives content (at n = 5 tooth pairs per group), we detected differences in microscopic wear features by stereomicroscopy of the chewing surface in the number and quality of pits and scratches that were not always as expected. Using computed tomography scanning in one tooth per diet, absolute wear was quantified as the mean height change after the simulated chewing. Absolute wear increased with diet abrasiveness, originating from phytoliths and grit. In combination, our findings highlight that differences in actual dental tissue loss can occur at similar microwear patterns, cautioning against a direct transformation of microwear results into predictions about diet or tooth wear rate. © 2016 The Author(s).

  14. Computational Models for Mechanics of Morphogenesis

    PubMed Central

    Wyczalkowski, Matthew A.; Chen, Zi; Filas, Benjamen A.; Varner, Victor D.; Taber, Larry A.

    2012-01-01

    In the developing embryo, tissues differentiate, deform, and move in an orchestrated manner to generate various biological shapes driven by the complex interplay between genetic, epigenetic, and environmental factors. Mechanics plays a key role in regulating and controlling morphogenesis, and quantitative models help us understand how various mechanical forces combine to shape the embryo. Models allow for the quantitative, unbiased testing of physical mechanisms, and when used appropriately, can motivate new experimental directions. This knowledge benefits biomedical researchers who aim to prevent and treat congenital malformations, as well as engineers working to create replacement tissues in the laboratory. In this review, we first give an overview of fundamental mechanical theories for morphogenesis, and then focus on models for specific processes, including pattern formation, gastrulation, neurulation, organogenesis, and wound healing. The role of mechanical feedback in development is also discussed. Finally, some perspectives are given on the emerging challenges in morphomechanics and mechanobiology. PMID:22692887

  15. Mechanical models for slosh of liquid fuel

    NASA Technical Reports Server (NTRS)

    Buseck, R.; Benaroya, H.

    1993-01-01

    This paper concentrates on equilibrium behavior of fluids in low or zero gravity, and sloshing in normal and low gravity. Included are a background and review of the literature, and an introduction to a new equivalent mechanical model.

  16. Structured detailed opto-mechanical tolerance modeling

    NASA Astrophysics Data System (ADS)

    Swart, P. C.

    2016-02-01

    Opto-mechanical tolerancing is a complex art, which is often reduced to inadequate tabled data of allowable tilts and decentres. During the process the respective roles of optical- and mechanical designers can become entangled and a source of conflict. A framework of principles is introduced to guide the design team through these murky waters. From these principles the development of a catalogue of models, practices and past precedents are proposed. An example is presented to serve as illustration. The final result is a model, of opto-mechanical tolerances, which allows a structured flow of tolerances into optical performance prediction.

  17. Detailed reduction of reaction mechanisms for flame modeling

    NASA Technical Reports Server (NTRS)

    Wang, Hai; Frenklach, Michael

    1991-01-01

    A method for reduction of detailed chemical reaction mechanisms, introduced earlier for ignition system, was extended to laminar premixed flames. The reduction is based on testing the reaction and reaction-enthalpy rates of the 'full' reaction mechanism using a zero-dimensional model with the flame temperature profile as a constraint. The technique is demonstrated with numerical tests performed on the mechanism of methane combustion.

  18. Mechanical characterization of seismic base isolation elastomers

    SciTech Connect

    Kulak, R.F.; Hughes, T.H.

    1991-01-01

    From the various devices proposed for seismic isolators, the laminated elastomer bearing is emerging as the preferred device for large buildings/structures, such as nuclear reactor plants. The laminated bearing is constructed from alternating thin layers of elastomer and metallic plates (shims). The elastomer is usually a carbon filled natural rubber that exhibits damping when subjected to shear. Recently, some blends of natural and synthetic rubbers have appeared. Before candidate elastomers can be used in seismic isolation bearings, their response to design-basis loads and beyond- design-basis loads must be determined. This entails the development of constitutive models and and then the determination of associated material parameters through specimen testing. This paper describes the methods used to obtain data for characterizing the mechanical response of elastomers used for seismic isolation. The data provides a data base for use in determining material parameters associated with nonlinear constitutive models. In addition, the paper presents a definition for a damping ratio that does not exhibit the usual reduction at higher strain cycles. 2 refs., 6 figs., 1 tab.

  19. Modeling biofilms with dual extracellular electron transfer mechanisms

    PubMed Central

    Renslow, Ryan; Babauta, Jerome; Kuprat, Andrew; Schenk, Jim; Ivory, Cornelius; Fredrickson, Jim; Beyenal, Haluk

    2013-01-01

    Electrochemically active biofilms have a unique form of respiration in which they utilize solid external materials as terminal electron acceptors for their metabolism. Currently, two primary mechanisms have been identified for long-range extracellular electron transfer (EET): a diffusion- and a conduction-based mechanism. Evidence in the literature suggests that some biofilms, particularly Shewanella oneidensis, produce the requisite components for both mechanisms. In this study, a generic model is presented that incorporates the diffusion- and the conduction-based mechanisms and allows electrochemically active biofilms to utilize both simultaneously. The model was applied to S. oneidensis and Geobacter sulfurreducens biofilms using experimentally generated data found in the literature. Our simulation results show that 1) biofilms having both mechanisms available, especially if they can interact, may have a metabolic advantage over biofilms that can use only a single mechanism; 2) the thickness of G. sulfurreducens biofilms is likely not limited by conductivity; 3) accurate intrabiofilm diffusion coefficient values are critical for current generation predictions; and 4) the local biofilm potential and redox potential are two distinct parameters and cannot be assumed to have identical values. Finally, we determined that simulated cyclic and squarewave voltammetry based on our model are currently not capable of determining the specific percentages of extracellular electron transfer mechanisms in a biofilm. The developed model will be a critical tool for designing experiments to explain EET mechanisms. PMID:24113651

  20. An exploration of group-based HIV/AIDS treatment and care models in Sub-Saharan Africa using a realist evaluation (Intervention-Context-Actor-Mechanism-Outcome) heuristic tool: a systematic review.

    PubMed

    Mukumbang, Ferdinand C; Van Belle, Sara; Marchal, Bruno; van Wyk, Brian

    2017-08-25

    It is increasingly acknowledged that differentiated care models hold potential to manage large volumes of patients on antiretroviral therapy (ART). Various group-based models of ART service delivery aimed at decongesting local health facilities, encouraging patient retention in care, and enhancing adherence to medication have been implemented across sub-Saharan Africa. Evidence from the literature suggests that these models of ART service delivery are more effective than corresponding facility-based care and superior to individual-based models. Nevertheless, there is little understanding of how these care models work to achieve their intended outcomes. The aim of this study was to review the theories explicating how and why group-based ART models work using a realist evaluation framework. A systematic review of the literature on group-based ART support models in sub-Saharan Africa was conducted. We searched the Google Scholar and PubMed databases and supplemented these with a reference chase of the identified articles. We applied a theory-driven approach-narrative synthesis-to synthesise the data. Data were analysed using the thematic content analysis method and synthesised according to aspects of the Intervention-Context-Actor-Mechanism-Outcome heuristic-analytic tool-a realist evaluation theory building tool. Twelve articles reporting primary studies on group-based models of ART service delivery were included in the review. The six studies that employed a quantitative study design failed to identify aspects of the context and mechanisms that work to trigger the outcomes of group-based models. While the other four studies that applied a qualitative and the two using a mixed methods design identified some of the aspects of the context and mechanisms that could trigger the outcomes of group-based ART models, these studies did not explain the relationship(s) between the theory elements and how they interact to produce the outcome(s). Although we could distill

  1. Mechanical model of a single tendon finger

    NASA Astrophysics Data System (ADS)

    Rossi, Cesare; Savino, Sergio

    2013-10-01

    The mechanical model of a single tendon three phalanxes finger is presented. By means of the model both kinematic and dynamical behavior of the finger itself can be studied. This finger is a part of a more complex mechanical system that consists in a four finger grasping device for robots or in a five finger human hand prosthesis. A first prototype has been realized in our department in order to verify the real behavior of the model. Some results of both kinematic and dynamical behavior are presented.

  2. Base Flow Model Validation

    NASA Technical Reports Server (NTRS)

    Sinha, Neeraj; Brinckman, Kevin; Jansen, Bernard; Seiner, John

    2011-01-01

    A method was developed of obtaining propulsive base flow data in both hot and cold jet environments, at Mach numbers and altitude of relevance to NASA launcher designs. The base flow data was used to perform computational fluid dynamics (CFD) turbulence model assessments of base flow predictive capabilities in order to provide increased confidence in base thermal and pressure load predictions obtained from computational modeling efforts. Predictive CFD analyses were used in the design of the experiments, available propulsive models were used to reduce program costs and increase success, and a wind tunnel facility was used. The data obtained allowed assessment of CFD/turbulence models in a complex flow environment, working within a building-block procedure to validation, where cold, non-reacting test data was first used for validation, followed by more complex reacting base flow validation.

  3. Time-independent Anisotropic Plastic Behavior by Mechanical Subelement Models

    NASA Technical Reports Server (NTRS)

    Pian, T. H. H.

    1983-01-01

    The paper describes a procedure for modelling the anisotropic elastic-plastic behavior of metals in plane stress state by the mechanical sub-layer model. In this model the stress-strain curves along the longitudinal and transverse directions are represented by short smooth segments which are considered as piecewise linear for simplicity. The model is incorporated in a finite element analysis program which is based on the assumed stress hybrid element and the iscoplasticity-theory.

  4. Coupled hydro-mechanical model for expansive clays

    NASA Astrophysics Data System (ADS)

    Koudelka, Tomáš; Krejčí, Tomáš; Kruis, Jaroslav

    2017-07-01

    The paper deals with the hydro-mechanical model for expansive clayey soils. The complex model is based on the hypoplasticity, which parameters are influenced by suction, and additionally on Schrefler's model for saturated-unsaturated water flow in deforming porous medium. The model has been implemented into the open source software SIFEL and selected results of a simple numerical example are presented in the last section of the paper.

  5. Structure versus solvent effects on nonlinear optical properties of push-pull systems: a quantum-mechanical study based on a polarizable continuum model.

    PubMed

    Corozzi, Alessandro; Mennucci, Benedetta; Cammi, Roberto; Tomasi, Jacopo

    2009-12-31

    A quantum mechanical investigation on the effects of the solvent and the structure on nonlinear optical activity of a class of merocyanine compounds has been conducted. The interplay of the two effects on the first hyperpolarizability, computed at density functional theory and second-order Møller-Plesset level, has been analyzed in combination with ground state properties and geometries and excited state energies and dipoles. A critical analysis of the simplified two-level model has also been presented.

  6. An automated dynamic fracture procedure and a continuum damage mechanics based model for finite element simulations of delamination failure in laminated composites

    NASA Astrophysics Data System (ADS)

    Aminjikarai Vedagiri, Srinivasa Babu

    An active field of research that has developed due to the increasing use of computational techniques like finite element simulations for analysis of highly complex structural mechanics problems and the increasing use of composite laminates in varied industries such as aerospace, automotive, bio-medical, etc. is the development of numerical models to capture the behavior of composite materials. One of the big challenges not yet overcome convincingly in this field is the modeling of delamination failure which is one of the primary modes of damage in composite laminates. Hence, the primary aim of this work is to develop two numerical models for finite element simulations of delamination failure in composite laminates and implement them in the explicit finite element software DYNA3D/LS-DYNA. Dynamic fracture mechanics is an example of a complex structural analysis problem for which finite element simulations seem to be the only possible way to extract detailed information on sophisticated physical quantities of the crack-tip at any instant of time along a highly transient history of fracture. However, general purpose, commercial finite element software which have capabilities to do fracture analyses are still limited in their use to stationary cracks and crack propagation along trajectories known a priori. Therefore, an automated dynamic fracture procedure capable of simulating dynamic propagation of through-thickness cracks in arbitrary directions in linear, isotropic materials without user-intervention is first developed and implemented in DYNA3D for its default 8-node solid (brick) element. Dynamic energy release rate and stress intensity factors are computed in the model using integral expressions particularly well-suited for the finite element method. Energy approach is used to check for crack propagation and the maximum circumferential stress criterion is used to determine the direction of crack growth. Since the re-meshing strategy used to model crack growth

  7. A fully coupled thermal, chemical, mechanical cookoff model

    SciTech Connect

    Hobbs, M.L.; Baer, M.R.; Gross, R.J.

    1994-05-01

    Cookoff modeling of confined energetic materials involves the coupling of thermal, chemical and mechanical effects. In the past, modeling has focussed on the prediction of thermal runaway with little regard to the effects of mechanical behavior of the energetic material. To address the mechanical response of the energetic material, a constitutive submodel has been developed which can be incorporated into thermal-chemical-mechanical analysis. This work presents development of this submodel and its incorporation into a fully coupled one-dimensional, thermal-chemical-mechanical computer code to simulate thermal initiation of energetic materials. Model predictions include temperature, chemical species, stress, strain, solid/gas pressure, solid/gas density, yield function, and gas volume fraction. Sample results from a scaled aluminum tube filled with RDX exposed to a constant temperature bath at 500 K will be displayed. The micromechanical submodel is based on bubble mechanics which describes nucleation, decomposition, and elastic/plastic mechanical behavior. This constitutive material description requires input of temperatures and reacted fraction of the energetic material as provided by the reactive heat flow code, XCHEM, and the mechanical response is predicted using a quasistatic mechanics code, SANTOS. A parametric sensitivity analysis indicates that a small degree of decomposition causes significant pressurization of the energetic material, which implies that cookoff modeling must consider the strong interaction between thermal-chemistry and mechanics. This document consists of view graphs from the poster session.

  8. Mechanism of thioether oxidation over di- and tetrameric ti centres: kinetic and DFT studies based on model Ti-containing polyoxometalates.

    PubMed

    Skobelev, Igor Y; Zalomaeva, Olga V; Kholdeeva, Oxana A; Poblet, Josep M; Carbó, Jorge J

    2015-10-05

    The oxidation of thioethers by the green oxidant aqueous H2 O2 catalysed by the tetratitanium-substituted Polyoxometalate (POM) (Bu4 N)8 [{γ-SiTi2 W10 O36 (OH)2 }2 (μ-O)2 ], as a model catalyst comprising tetrameric titanium centres, was investigated by kinetic modelling and DFT calculations. Several mechanisms of sulfoxidation were evaluated by using methyl phenyl sulfide (PhSMe) as a model substrate in the experiments and dimethyl sulfide in the calculations. The first mechanism assumes that the active hydroperoxo species forms directly through interaction of the Ti2 (μ-OH)2 group in [{γ-SiTi2 W10 O36 (OH)2 }2 (μ-O)2 ](8-) (1 D) with H2 O2 . The second mechanism includes hydrolysis of Ti-O-Ti bonds linking two γ-Keggin units in structure 1 D to produce the monomer [(γ-SiW10 Ti2 O38 H2 )(OH)2 ](4-) (1 M), followed by the formation of an active hydroperoxo species upon interaction of the Ti hydroxo group with H2 O2 . Both kinetic modelling and DFT calculations support the mechanism through the monomeric species that involves the hydrolysis step. According to the DFT studies the activation of H2 O2 by compound 1 M is preferred by 6.5 kcal mol(-1) with respect to anion 1 D due to the more flexible Ti environment of the terminal Ti hydroxo group in 1 M. The calculations also indicate that for the "monomeric" mechanism two pathways are operative: the mono- and the multinuclear pathway. In the mononuclear mechanism, the active group is the terminal TiOH group, whereas in the multinuclear path the active group is the bridging Ti2 (μ-OH) moiety. Moreover, unlike previous studies, the sulfoxidation is preferred through a β-oxygen atom transfer from the Ti hydroperoxo group because the α-oxygen atom transfer leads to an unfavourable seven-fold coordinated Ti environment in the transition state. Finally, we have generalised these results to other Ti-containing POMs: the Ti-monosubstituted α-Keggin ion [α-PTi(OH)W11 O39 ](4-) and the dititanium

  9. Mechanical modeling of red blood cells during optical stretching.

    PubMed

    Tan, Youhua; Sun, Dong; Huang, Wenhao

    2010-04-01

    Mechanical properties of red blood cells (RBCs) play an important role in regulating cellular functions. Many recent researches suggest that the cell properties or deformability may be used as a diagnostic indicator for the onset and progression of some human diseases. Although optical stretcher (OS) has emerged as an effective tool to investigate the cell mechanics of RBCs, little is known about the deformation behavior of RBCs in an OS. To address this problem, the mechanical model proposed in our previous work is extended in this paper to describe the mechanical responses of RBCs in the OS. With this model, the mechanical responses, such as the tension distribution, the effect of cell radius, and the deformed cell shapes, can be predicted. It is shown that the results obtained from our mechanical model are in good agreement with the experimental data, which demonstrates the validity of the developed model. Based on the derived model, the mechanical properties of RBCs can be further obtained. In conclusion, this study indicates that the developed mechanical model can be used to predict the deformation responses of RBCs during optical stretching and has potential biomedical applications such as characterizing cell properties and distinguishing abnormal cells from normal ones.

  10. Mathematical Model of a Telomerase Transcriptional Regulatory Network Developed by Cell-Based Screening: Analysis of Inhibitor Effects and Telomerase Expression Mechanisms

    PubMed Central

    Bilsland, Alan E.; Stevenson, Katrina; Liu, Yu; Hoare, Stacey; Cairney, Claire J.; Roffey, Jon; Keith, W. Nicol

    2014-01-01

    Cancer cells depend on transcription of telomerase reverse transcriptase (TERT). Many transcription factors affect TERT, though regulation occurs in context of a broader network. Network effects on telomerase regulation have not been investigated, though deeper understanding of TERT transcription requires a systems view. However, control over individual interactions in complex networks is not easily achievable. Mathematical modelling provides an attractive approach for analysis of complex systems and some models may prove useful in systems pharmacology approaches to drug discovery. In this report, we used transfection screening to test interactions among 14 TERT regulatory transcription factors and their respective promoters in ovarian cancer cells. The results were used to generate a network model of TERT transcription and to implement a dynamic Boolean model whose steady states were analysed. Modelled effects of signal transduction inhibitors successfully predicted TERT repression by Src-family inhibitor SU6656 and lack of repression by ERK inhibitor FR180204, results confirmed by RT-QPCR analysis of endogenous TERT expression in treated cells. Modelled effects of GSK3 inhibitor 6-bromoindirubin-3′-oxime (BIO) predicted unstable TERT repression dependent on noise and expression of JUN, corresponding with observations from a previous study. MYC expression is critical in TERT activation in the model, consistent with its well known function in endogenous TERT regulation. Loss of MYC caused complete TERT suppression in our model, substantially rescued only by co-suppression of AR. Interestingly expression was easily rescued under modelled Ets-factor gain of function, as occurs in TERT promoter mutation. RNAi targeting AR, JUN, MXD1, SP3, or TP53, showed that AR suppression does rescue endogenous TERT expression following MYC knockdown in these cells and SP3 or TP53 siRNA also cause partial recovery. The model therefore successfully predicted several aspects of TERT

  11. Experimental verification of a progressive damage model for composite laminates based on continuum damage mechanics. M.S. Thesis Final Report

    NASA Technical Reports Server (NTRS)

    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.

  12. A method for formulating realistic mathematical models based on arterial casts for the computational fluid mechanical studies on arterial flow and atherosclerosis

    NASA Astrophysics Data System (ADS)

    Sakurai, A.; Yamaguchi, T.; Okino, H.; Hanai, S.; Masuda, M.

    1993-07-01

    It is widely accepted that the computational fluid mechanics can provide a comprehensive view into delicate structures of blood flow. We report a new method for the formation of realistic mathematical models using vascular casts. The vascular casts were formed in rabbit carotid arteries with surgical constrictions. The three dimensional (3D) coordinate values of the surface of the casts were measured using a 3D measuring microscope system. The 3D coordinate values were fed into a computer and 3D models were constructed using partial ellipsoid curve interpolation. Preliminary results concerning the flow field in the model were calculated by solving the 3D Navier-Stokes equation using a finite volume method.

  13. A model for cyclic mechanical reinforcement

    PubMed Central

    Li, Zhenhai; Kong, Fang; Zhu, Cheng

    2016-01-01

    Mechanical force regulates a broad range of molecular interactions in biology. Three types of counterintuitive mechanical regulation of receptor–ligand dissociation have been described. Catch bonds are strengthened by constant forces, as opposed to slip bonds that are weakened by constant forces. The phenomenon that bonds become stronger with prior application of cyclic forces is termed cyclic mechanical reinforcement (CMR). Slip and catch bonds have respectively been explained by two-state models. However, they assume fast equilibration between internal states and hence are inadequate for CMR. Here we propose a three-state model for CMR where both loading and unloading regulate the transition of bonds among the short-lived, intermediate, and long-lived state. Cyclic forces favor bonds in the long-lived state, hence greatly prolonging their lifetimes. The three-state model explains the force history effect and agrees with the experimental CMR effect of integrin α5β1–fibronectin interaction. This model helps decipher the distinctive ways by which molecular bonds are mechanically strengthened: catch bonds by constant forces and CMR by cyclic forces. The different types of mechanical regulation may enable the cell to fine tune its mechanotransduction via membrane receptors. PMID:27786286

  14. Secondary Inorganic Soluble Aerosol in Hong Kong: Continuous Measurements, Formation Mechanism Discussion and Improvement of an Observation-Based Model to Study Control Strategies

    NASA Astrophysics Data System (ADS)

    Xue, Jian

    Work in this thesis focuses on half-hourly or hourly measurements of PM2.5 secondary inorganic aerosols (SIA) in two locations in Hong Kong (HK) using a continuous system, PILS (Particle-into-Liquid System) coupled to two ion chromatographs. The high-resolution data sets allow the examination of SIA temporal dynamics in the scale of hours that the filter-based approach is incapable of providing. (1) Impacts of local emissions, regional transports and their interactions on chemical composition and concentrations of PM2.5 SIA and other ionic species were investigated at the Hong Kong University of Science and Technology (HKUST), a receptor site, under three synoptic conditions. (2) Chemical compositions and size characteristics of ionic species were investigated at Tung Chung, a new town area located in the Southwest part of HK. The sampling period was from 17 to 26 December 2009, covering both normal conditions and an aerosol episode. The three major secondary inorganic ions, SO42, NH4+ and NO 3-, accounted for 47 +/- 6% of PM2.5 mass. Further examination of size characteristics of NO3 - shows that fine mode NO3- is more likely to occur in environments when the fine particles are less acidic and the sea-salt aerosol contributions are low. (3) The ionic chemical composition of PM2.5 and meteorological parameters (e.g., temperature, RH) obtained at the HKUST site under all three different synoptic conditions are input into Aerosol Inorganic Model (AIM-III) for estimation of in situ pH through calculation of H+ amount and aerosol liquid water content (LWC). The second part of this thesis work is to improve an observation-based model (OBAMAP) for SIA, which was first developed by Dr. Zibing Yuan (2006) to evaluate the sensitivity of formation of nitrate ad sulfate to changes in the emissions of their precursors (i.e., NOx, SO2, and VOCs). The improvement work includes incorporating updated chemical mechanisms, thermodynamic equilibrium for gas-aerosol phase

  15. Neural mechanisms of object-based attention.

    PubMed

    Cohen, Elias H; Tong, Frank

    2015-04-01

    What neural mechanisms underlie the ability to attend to a complex object in the presence of competing overlapping stimuli? We evaluated whether object-based attention might involve pattern-specific feedback to early visual areas to selectively enhance the set of low-level features corresponding to the attended object. Using fMRI and multivariate pattern analysis, we found that activity patterns in early visual areas (V1-V4) are strongly biased in favor of the attended object. Activity patterns evoked by single faces and single houses reliably predicted which of the 2 overlapping stimulus types was being attended with high accuracy (80-90% correct). Superior knowledge of upright objects led to improved attentional selection in early areas. Across individual blocks, the strength of the attentional bias signal in early visual areas was highly predictive of the modulations found in high-level object areas, implying that pattern-specific attentional filtering at early sites can determine the quality of object-specific signals that reach higher level visual areas. Through computational modeling, we show how feedback of an average template to V1-like units can improve discrimination of exemplars belonging to the attended category. Our findings provide a mechanistic account of how feedback to early visual areas can contribute to the attentional selection of complex objects. © The Author 2013. Published by Oxford University Press. All rights reserved. For Permissions, please e-mail: journals.permissions@oup.com.

  16. Modeling thermal/chemical/mechanical response of energetic materials

    SciTech Connect

    Baer, M.R.; Hobbs, M.L.; Gross, R.J.

    1995-07-01

    An overview of modeling at Sandia National Laboratories is presented which describes coupled thermal, chemical and mechanical response of energetic materials. This modeling addresses cookoff scenarios for safety assessment studies in systems containing energetic materials. Foundation work is discussed which establishes a method for incorporating chemistry and mechanics into multidimensional analysis. Finite element analysis offers the capabilities to simultaneously resolve reactive heat transfer and structural mechanics in complex geometries. Nonlinear conduction heat transfer, with multiple step finite-rate chemistry, is resolved using a thermal finite element code. Rate equations are solved element-by-element using a modified matrix-free stiff solver This finite element software was developed for the simulation of systems requiring large numbers of finite elements. An iterative implicit scheme, based on the conjugate gradient method, is used and a hemi-cube algorithm is employed for the determination of view factors in surface-to-surface radiation transfer The critical link between the reactive heat transfer and mechanics is the introduction of an appropriate constitutive material model providing a stress-strain relationship for quasi-static mechanics analysis. This model is formally derived from bubble nucleation theory, and parameter variations of critical model parameters indicate that a small degree of decomposition leads to significant mechanical response. Coupled thermal/chemical/mechanical analysis is presented which simulates experiments designed to probe cookoff thermal-mechanical response of energetic materials.

  17. Modeling Transport and Flow Regulatory Mechanisms of the Kidney

    PubMed Central

    Layton, Anita T.

    2013-01-01

    The kidney plays an indispensable role in the regulation of whole-organism water balance, electrolyte balance, and acid-base balance, and in the excretion of metabolic wastes and toxins. In this paper, we review representative mathematical models that have been developed to better understand kidney physiology and pathophysiology, including the regulation of glomerular filtration, the regulation of renal blood flow by means of the tubuloglomerular feedback mechanisms and of the myogenic mechanism, the urine concentrating mechanism, and regulation of renal oxygen transport. We discuss how such modeling efforts have significantly expanded our understanding of renal function in both health and disease. PMID:23914303

  18. Modeling of tRNA-assisted mechanism of Arg activation based on a structure of Arg-tRNA synthetase, tRNA, and an ATP analog (ANP).

    PubMed

    Konno, Michiko; Sumida, Tomomi; Uchikawa, Emiko; Mori, Yukie; Yanagisawa, Tatsuo; Sekine, Shun-ichi; Yokoyama, Shigeyuki; Yokoyama, Shigeuki

    2009-09-01

    The ATP-pyrophosphate exchange reaction catalyzed by Arg-tRNA, Gln-tRNA and Glu-tRNA synthetases requires the assistance of the cognate tRNA. tRNA also assists Arg-tRNA synthetase in catalyzing the pyrophosphorolysis of synthetic Arg-AMP at low pH. The mechanism by which the 3'-end A76, and in particular its hydroxyl group, of the cognate tRNA is involved with the exchange reaction catalyzed by those enzymes has yet to be established. We determined a crystal structure of a complex of Arg-tRNA synthetase from Pyrococcus horikoshii, tRNA(Arg)(CCU) and an ATP analog with Rfactor = 0.213 (Rfree = 0.253) at 2.0 A resolution. On the basis of newly obtained structural information about the position of ATP bound on the enzyme, we constructed a structural model for a mechanism in which the formation of a hydrogen bond between the 2'-OH group of A76 of tRNA and the carboxyl group of Arg induces both formation of Arg-AMP (Arg + ATP --> Arg-AMP + pyrophosphate) and pyrophosphorolysis of Arg-AMP (Arg-AMP + pyrophosphate --> Arg + ATP) at low pH. Furthermore, we obtained a structural model of the molecular mechanism for the Arg-tRNA synthetase-catalyzed deacylation of Arg-tRNA (Arg-tRNA + AMP --> Arg-AMP + tRNA at high pH), in which the deacylation of aminoacyl-tRNA bound on Arg-tRNA synthetase and Glu-tRNA synthetase is catalyzed by a quite similar mechanism, whereby the proton-donating group (-NH-C+(NH2)2 or -COOH) of Arg and Glu assists the aminoacyl transfer from the 2'-OH group of tRNA to the phosphate group of AMP at high pH.

  19. Polar auxin transport: models and mechanisms.

    PubMed

    van Berkel, Klaartje; de Boer, Rob J; Scheres, Ben; ten Tusscher, Kirsten

    2013-06-01

    Spatial patterns of the hormone auxin are important drivers of plant development. The observed feedback between the active, directed transport that generates auxin patterns and the auxin distribution that influences transport orientation has rendered this a popular subject for modelling studies. Here we propose a new mathematical framework for the analysis of polar auxin transport and present a detailed mathematical analysis of published models. We show that most models allow for self-organised patterning for similar biological assumptions, and find that the pattern generated is typically unidirectional, unless additional assumptions or mechanisms are incorporated. Our analysis thus suggests that current models cannot explain the bidirectional fountain-type patterns found in plant meristems in a fully self-organised manner, and we discuss future research directions to address the gaps in our understanding of auxin transport mechanisms.

  20. Thermal shock fracture mechanics analysis of a semi-infinite medium based on the dual-phase-lag heat conduction model

    PubMed Central

    Wang, B.; Li, J. E.; Yang, C.

    2015-01-01

    The generalized lagging behaviour in solids is very important in understanding heat conduction in small-scale and high-rate heating. In this paper, an edge crack in a semi-infinite medium subjected to a heat shock on its surface is studied under the framework of the dual-phase-lag (DPL) heat conduction model. The transient thermal stress in the medium without crack is obtained first. This stress is used as the crack surface traction with an opposite sign to formulate the crack problem. Numerical results of thermal stress intensity factor are obtained as the functions of crack length and thermal shock time. Crack propagation predictions are conducted and results based on the DPL model and those based on the classical Fourier heat conduction model are compared. The thermal shock strength that the medium can sustain without catastrophic failure is established according to the maximum local stress criterion and the stress intensity factor criterion. PMID:25663805

  1. Thermal shock fracture mechanics analysis of a semi-infinite medium based on the dual-phase-lag heat conduction model.

    PubMed

    Wang, B; Li, J E; Yang, C

    2015-02-08

    The generalized lagging behaviour in solids is very important in understanding heat conduction in small-scale and high-rate heating. In this paper, an edge crack in a semi-infinite medium subjected to a heat shock on its surface is studied under the framework of the dual-phase-lag (DPL) heat conduction model. The transient thermal stress in the medium without crack is obtained first. This stress is used as the crack surface traction with an opposite sign to formulate the crack problem. Numerical results of thermal stress intensity factor are obtained as the functions of crack length and thermal shock time. Crack propagation predictions are conducted and results based on the DPL model and those based on the classical Fourier heat conduction model are compared. The thermal shock strength that the medium can sustain without catastrophic failure is established according to the maximum local stress criterion and the stress intensity factor criterion.

  2. Quantum Mechanical Modeling of Ballistic MOSFETs

    NASA Technical Reports Server (NTRS)

    Svizhenko, Alexei; Anantram, M. P.; Govindan, T. R.; Biegel, Bryan (Technical Monitor)

    2001-01-01

    The objective of this project was to develop theory, approximations, and computer code to model quasi 1D structures such as nanotubes, DNA, and MOSFETs: (1) Nanotubes: Influence of defects on ballistic transport, electro-mechanical properties, and metal-nanotube coupling; (2) DNA: Model electron transfer (biochemistry) and transport experiments, and sequence dependence of conductance; and (3) MOSFETs: 2D doping profiles, polysilicon depletion, source to drain and gate tunneling, understand ballistic limit.

  3. [Regulatory mechanism of hormones of the pituitary-target gland axes in kidney-Yang deficiency based on a support vector machine model].

    PubMed

    Xiufeng, Wang; Lei, Zhang; Rongbo, Huang; Qinghua, Wu; Jianxin, Min; Na, Ma; Laicheng, Luo

    2015-04-01

    To study the development mechanism of kidney-Yang deficiency through the establishment of support vector machine models of relevant hormones of the pituitary-target gland axes in rats with kidney-Yang deficiency syndrome. The kidney-Yang deficiency rat model was created by intramuscular injection of hydrocortisone, and contents of the hormones of the pituitary-thyroid axis: thyroid stimulating hormone (TSH), 3,3',5-triiodothyronine (T3) and thyroxine (T4); hormones of the pituitary-adrenal gland axis: adrenocorticotropic hormone (ACTH) and cortisol (CORT); and hormones of the pituitary-gonadal axis: luteinizing hormone (LH), follicle-stimulating hormone (FSH), and testosterone (T), were determined in the early, middle, and advanced stages. Ten support vector regression (SVR) models of the hormones were established to analyze the mutual relationships among the hormones of the three axes. The feedback control action of the pituitary-adrenal axis began to lose efficacy from the middle stage of kidney-Yang deficiency. The contents all hormones of the three pituitary-target gland axes decreased in the advanced stage. Relative errors of the jackknife test of the SVR models all were less than 10%. Imbalances in mutual regulation among the hormones of the pituitary-target gland axes, especially loss of effectiveness of the pituitary-adrenal axis, is one pathogenesis of kidney-Yang deficiency. The SVR model can accurately reflect the complicated non-linear relationships among pituitary-target gland axes in rats with of kidney-Yang deficiency.

  4. Modeling biofilms with dual extracellular electron transfer mechanisms

    SciTech Connect

    Renslow, Ryan S.; Babauta, Jerome T.; Kuprat, Andrew P.; Schenk, Jim; Ivory, Cornelius; Fredrickson, Jim K.; Beyenal, Haluk

    2013-11-28

    Electrochemically active biofilms have a unique form of respiration in which they utilize solid external materials as their terminal electron acceptor for metabolism. Currently, two primary mechanisms have been identified for long-range extracellular electron transfer (EET): a diffusion- and a conduction-based mechanism. Evidence in the literature suggests that some biofilms, particularly Shewanella oneidensis, produce components requisite for both mechanisms. In this study, a generic model is presented that incorporates both diffusion- and conduction-based mechanisms and allows electrochemically active biofilms to utilize both simultaneously. The model was applied to Shewanella oneidensis and Geobacter sulfurreducens biofilms using experimentally generated data found the literature. Our simulation results showed that 1) biofilms having both mechanisms available, especially if they can interact, may have metabolic advantage over biofilms that can use only a single mechanism; 2) the thickness of Geobacter sulfurreducens biofilms is likely not limited by conductivity; 3) accurate intrabiofilm diffusion coefficient values are critical for current generation predictions; and 4) the local biofilm potential and redox potential are two distinct measurements and cannot be assumed to have identical values. Finally, we determined that cyclic and squarewave voltammetry are currently not good tools to determine the specific percentage of extracellular electron transfer mechanisms used by biofilms. The developed model will be a critical tool in designing experiments to explain EET mechanisms.

  5. Molecular mechanics models for tetracycline analogs.

    PubMed

    Aleksandrov, Alexey; Simonson, Thomas

    2009-01-30

    Tetracyclines (Tcs) are an important family of antibiotics that bind to the ribosome and several proteins. To model Tc interactions with protein and RNA, we have developed a molecular mechanics force field for 12 tetracyclines, consistent with the CHARMM force field. We considered each Tc variant in its zwitterionic tautomer, with and without a bound Mg(2+). We used structures from the Cambridge Crystallographic Data Base to identify the conformations likely to be present in solution and in biomolecular complexes. A conformational search by simulated annealing was undertaken, using the MM3 force field, for tetracycline, anhydrotetracycline, doxycycline, and tigecycline. Resulting, low-energy structures were optimized with an ab initio method. We found that Tc and its analogs all adopt an extended conformation in the zwitterionic tautomer and a twisted one in the neutral tautomer, and the zwitterionic-extended state is the most stable in solution. Intermolecular force field parameters were derived from a standard supermolecule approach: we considered the ab initio energies and geometries of a water molecule interacting with each Tc analog at several different positions. The final, rms deviation between the ab initio and force field energies, averaged over all forms, was 0.35 kcal/mol. Intramolecular parameters were adopted from either the standard CHARMM force field, the ab initio structure, or the earlier, plain Tc force field. The model reproduces the ab initio geometry and flexibility of each Tc. As tests, we describe MD and free energy simulations of a solvated complex between three Tcs and the Tet repressor protein. (c) 2008 Wiley Periodicals, Inc.

  6. Modeling mechanical interactions between cancerous mammary acini

    NASA Astrophysics Data System (ADS)

    Wang, Jeffrey; Liphardt, Jan; Rycroft, Chris

    2015-03-01

    The rules and mechanical forces governing cell motility and interactions with the extracellular matrix of a tissue are often critical for understanding the mechanisms by which breast cancer is able to spread through the breast tissue and eventually metastasize. Ex vivo experimentation has demonstrated the the formation of long collagen fibers through collagen gels between the cancerous mammary acini responsible for milk production, providing a fiber scaffolding along which cancer cells can disorganize. We present a minimal mechanical model that serves as a potential explanation for the formation of these collagen fibers and the resultant motion. Our working hypothesis is that cancerous cells induce this fiber formation by pulling on the gel and taking advantage of the specific mechanical properties of collagen. To model this system, we employ a new Eulerian, fixed grid simulation method to model the collagen as a nonlinear viscoelastic material subject to various forces coupled with a multi-agent model to describe individual cancer cells. We find that these phenomena can be explained two simple ideas: cells pull collagen radially inwards and move towards the tension gradient of the collagen gel, while being exposed to standard adhesive and collision forces.

  7. Wear-mechanism modelling. Final report

    SciTech Connect

    Ashby, M.F.

    1993-03-01

    Goals of the program are to calculate the surface temperatures in dry sliding, develop a soft wear tester for ceramics, survey the wear mechanisms in brittle solids, and couple the temperature calculations with models to give wear maps for brittle solids. (DLC)

  8. Modelling approaches for evaluating multiscale tendon mechanics

    PubMed Central

    Fang, Fei; Lake, Spencer P.

    2016-01-01

    Tendon exhibits anisotropic, inhomogeneous and viscoelastic mechanical properties that are determined by its complicated hierarchical structure and varying amounts/organization of different tissue constituents. Although extensive research has been conducted to use modelling approaches to interpret tendon structure–function relationships in combination with experimental data, many issues remain unclear (i.e. the role of minor components such as decorin, aggrecan and elastin), and the integration of mechanical analysis across different length scales has not been well applied to explore stress or strain transfer from macro- to microscale. This review outlines mathematical and computational models that have been used to understand tendon mechanics at different scales of the hierarchical organization. Model representations at the molecular, fibril and tissue levels are discussed, including formulations that follow phenomenological and microstructural approaches (which include evaluations of crimp, helical structure and the interaction between collagen fibrils and proteoglycans). Multiscale modelling approaches incorporating tendon features are suggested to be an advantageous methodology to understand further the physiological mechanical response of tendon and corresponding adaptation of properties owing to unique in vivo loading environments. PMID:26855747

  9. Modeling childbirth: elucidating the mechanisms of labor.

    PubMed

    Li, Xinshan; Kruger, Jennifer A; Nash, Martyn P; Nielsen, Poul M F

    2010-01-01

    The process of childbirth and the mechanisms of labor have been studied for over a century, beginning with simple measurements of fetal skull and maternal pelvis dimensions. More recently, X-rays, ultrasound, and magnetic resonance imaging have been used to try and quantify the biomechanics of labor. With the development of computational technologies, biomechanical models have emerged as a quantitative analysis tool for modeling childbirth. These methods are well known for their capabilities to analyze function at the organ scale. This review provides an overview of the state-of-the-art finite element models of the mechanics of vaginal delivery, with detailed descriptions of the data sources, modeling frameworks, and results. We also discuss the limitations and improvements required in order for the models to be more accurate and clinically useful. Some of the major challenges include: modeling the complex geometry of the maternal pelvic floor muscles and fetal head motion during the second stage of labor; the lack of experimental data on the pelvic floor structures; and development of methods for clinical validation. To date, models have had limited success in helping clinicians understand possible factors leading to birth-induced pelvic floor muscle injuries and dysfunction. However, much more can be achieved with further development of these quantitative modeling frameworks, such as tools for birth planning and medical education.

  10. Glutamate Transporter Homolog-based Model Predicts That Anion-π Interaction Is the Mechanism for the Voltage-dependent Response of Prestin*

    PubMed Central

    Lovas, Sándor; He, David Z. Z.; Liu, Huizhan; Tang, Jie; Pecka, Jason L.; Hatfield, Marcus P. D.; Beisel, Kirk W.

    2015-01-01

    Prestin is the motor protein of cochlear outer hair cells. Its unique capability to perform direct, rapid, and reciprocal electromechanical conversion depends on membrane potential and interaction with intracellular anions. How prestin senses the voltage change and interacts with anions are still unknown. Our three-dimensional model of prestin using molecular dynamics simulations predicts that prestin contains eight transmembrane-spanning segments and two helical re-entry loops and that tyrosyl residues are the structural specialization of the molecule for the unique function of prestin. Using site-directed mutagenesis and electrophysiological techniques, we confirmed that residues Tyr367, Tyr486, Tyr501, and Tyr508 contribute to anion binding, interacting with intracellular anions through novel anion-π interactions. Such weak interactions, sensitive to voltage and mechanical stimulation, confer prestin with a unique capability to perform electromechanical and mechanoelectric conversions with exquisite sensitivity. This novel mechanism is completely different from all known mechanisms seen in ion channels, transporters, and motor proteins. PMID:26283790

  11. Quantum mechanical hamiltonian models of turing machines

    NASA Astrophysics Data System (ADS)

    Benioff, Paul

    1982-11-01

    Quantum mechanical Hamiltonian models, which represent an aribtrary but finite number of steps of any Turing machine computation, are constructed here on a finite lattice of spin-1/2 systems. Different regions of the lattice correspond to different components of the Turing machine (plus recording system). Successive states of any machine computation are represented in the model by spin configuration states. Both time-independent and time-dependent Hamiltonian models are constructed here. The time-independent models do not dissipate energy or degrade the system state as they evolve. They operate close to the quantum limit in that the total system energy uncertainty/computation speed is close to the limit given by the time-energy uncertainty relation. However, the model evolution is time global and the Hamiltonian is more complex. The time-dependent models do not degrade the system state. Also they are time local and the Hamiltonian is less complex.

  12. A finite element-based machine learning approach for modeling the mechanical behavior of the breast tissues under compression in real-time.

    PubMed

    Martínez-Martínez, F; Rupérez-Moreno, M J; Martínez-Sober, M; Solves-Llorens, J A; Lorente, D; Serrano-López, A J; Martínez-Sanchis, S; Monserrat, C; Martín-Guerrero, J D

    2017-09-28

    This work presents a data-driven method to simulate, in real-time, the biomechanical behavior of the breast tissues in some image-guided interventions such as biopsies or radiotherapy dose delivery as well as to speed up multimodal registration algorithms. Ten real breasts were used for this work. Their deformation due to the displacement of two compression plates was simulated off-line using the finite element (FE) method. Three machine learning models were trained with the data from those simulations. Then, they were used to predict in real-time the deformation of the breast tissues during the compression. The models were a decision tree and two tree-based ensemble methods (extremely randomized trees and random forest). Two different experimental setups were designed to validate and study the performance of these models under different conditions. The mean 3D Euclidean distance between nodes predicted by the models and those extracted from the FE simulations was calculated to assess the performance of the models in the validation set. The experiments proved that extremely randomized trees performed better than the other two models. The mean error committed by the three models in the prediction of the nodal displacements was under 2 mm, a threshold usually set for clinical applications. The time needed for breast compression prediction is sufficiently short to allow its use in real-time (<0.2 s). Copyright © 2017 Elsevier Ltd. All rights reserved.

  13. Biaxial mechanical modeling of the small intestine.

    PubMed

    Bellini, Chiara; Glass, Paul; Sitti, Metin; Di Martino, Elena S

    2011-11-01

    Capsule endoscopes are pill-size devices provided with a camera that capture images of the small intestine from inside the body after being ingested by a patient. The interaction between intestinal tissue and capsule endoscopes needs to be investigated to optimize capsule design while preventing tissue damage. To that purpose, a constitutive model that can reliably predict the mechanical response of the intestinal tissue under complex mechanical loading is required. This paper describes the development and numerical validation of a phenomenological constitutive model for the porcine duodenum, jejunum and ileum. Parameters characterizing the mechanical behavior of the material were estimated from planar biaxial test data, where intestinal tissue specimens were simultaneously loaded along the circumferential and longitudinal directions. Specimen-specific Fung constitutive models were able to accurately predict the planar stress-strain behavior of the tested samples under a wide range of loading conditions. To increase model generality, average anisotropic constitutive relationships were also generated for each tissue region by fitting average stress-strain curves to the Fung potential. Due to the observed variability in the direction of maximum stiffness, the average Fung models were less anisotropic than the specimen-specific models. Hence, average isotropic models in the Neo-Hookean and Mooney-Rivlin forms were attempted, but they could not adequately describe the degree of nonlinearity in the tissue. Values of the R2 for the nonlinear regressions were 0.17, 0.44 and 0.93 for the average Neo-Hookean, Mooney-Rivlin and Fung models, respectively. Average models were successfully implemented into FORTRAN routines and used to simulate capsule deployment with a finite element method analysis. Copyright © 2011 Elsevier Ltd. All rights reserved.

  14. Modeling and experimental research on a removal mechanism during chemical mechanical polishing at the molecular scale

    NASA Astrophysics Data System (ADS)

    Wei, An; Yongwu, Zhao; Yongguang, Wang

    2010-11-01

    In order to understand the fundamentals of the chemical mechanical polishing (CMP) material removal mechanism, the indentation depth of a slurry particle into a wafer surface is determined using the in situ nanomechanical testing system tribo-indenter by Hysitron. It was found that the removal mechanism in CMP is most probably a molecular scale removal theory. Furthermore, a comprehensive mathematical model was modified and used to pinpoint the effects of wafer/pad relative velocity, which has not been modeled previously. The predicted results based on the current model are shown to be consistent with the published experimental data. Results and analysis may lead to further understanding of the microscopic removal mechanism at the molecular scale in addition to its underlying theoretical foundation.

  15. Magnetic suspension based Fourier Transform Infrared Spectrometer mechanism (FTIS)

    NASA Astrophysics Data System (ADS)

    Köker, Ingo; Langenbach, Harald; Schmid, Manfred; Lautier, Jean-Michel

    2005-07-01

    In the frame of an ESTEC technology contract the development of a Magnetically Suspended Fourier Transform Spectrometer Mechanism (FTIS) was carried out. The aim of the development is to avoid the issues found in mechanically suspended systems and to provide an active alignment and disturbance rejection capability for spectrometer applications. In the frame of FTIS an actively controlled suspension system based on the use of magnetic bearings was defined, developed and built as a demonstration model.

  16. Linking Theoretical Decision-making Mechanisms in the Simon Task with Electrophysiological Data: A Model-based Neuroscience Study in Humans.

    PubMed

    Servant, Mathieu; White, Corey; Montagnini, Anna; Burle, Borís

    2016-10-01

    A current challenge for decision-making research is in extending models of simple decisions to more complex and ecological choice situations. Conflict tasks (e.g., Simon, Stroop, Eriksen flanker) have been the focus of much interest, because they provide a decision-making context representative of everyday life experiences. Modeling efforts have led to an elaborated drift diffusion model for conflict tasks (DMC), which implements a superimposition of automatic and controlled decision activations. The DMC has proven to capture the diversity of behavioral conflict effects across various task contexts. This study combined DMC predictions with EEG and EMG measurements to test a set of linking propositions that specify the relationship between theoretical decision-making mechanisms involved in the Simon task and brain activity. Our results are consistent with a representation of the superimposed decision variable in the primary motor cortices. The decision variable was also observed in the EMG activity of response agonist muscles. These findings provide new insight into the neurophysiology of human decision-making. In return, they provide support for the DMC model framework.

  17. Modelling of volatility in monetary transmission mechanism

    SciTech Connect

    Dobešová, Anna; Klepáč, Václav; Kolman, Pavel; Bednářová, Petra

    2015-03-10

    The aim of this paper is to compare different approaches to modeling of volatility in monetary transmission mechanism. For this purpose we built time-varying parameter VAR (TVP-VAR) model with stochastic volatility and VAR-DCC-GARCH model with conditional variance. The data from three European countries are included in the analysis: the Czech Republic, Germany and Slovakia. Results show that VAR-DCC-GARCH system captures higher volatility of observed variables but main trends and detected breaks are generally identical in both approaches.

  18. A multiscale model for red blood cell mechanics.

    PubMed

    Hartmann, Dirk

    2010-02-01

    The objective of this article is the derivation of a continuum model for mechanics of red blood cells via multiscale analysis. On the microscopic level, we consider realistic discrete models in terms of energy functionals defined on networks/lattices. Using concepts of Gamma-convergence, convergence results as well as explicit homogenisation formulae are derived. Based on a characterisation via energy functionals, appropriate macroscopic stress-strain relationships (constitutive equations) can be determined. Further, mechanical moduli of the derived macroscopic continuum model are directly related to microscopic moduli. As a test case we consider optical tweezers experiments, one of the most common experiments to study mechanical properties of cells. Our simulations of the derived continuum model are based on finite element methods and account explicitly for membrane mechanics and its coupling with bulk mechanics. Since the discretisation of the continuum model can be chosen freely, rather than it is given by the topology of the microscopic cytoskeletal network, the approach allows a significant reduction of computational efforts. Our approach is highly flexible and can be generalised to many other cell models, also including biochemical control.

  19. Comparing fluid mechanics models with experimental data.

    PubMed Central

    Spedding, G R

    2003-01-01

    The art of modelling the physical world lies in the appropriate simplification and abstraction of the complete problem. In fluid mechanics, the Navier-Stokes equations provide a model that is valid under most circumstances germane to animal locomotion, but the complexity of solutions provides strong incentive for the development of further, more simplified practical models. When the flow organizes itself so that all shearing motions are collected into localized patches, then various mathematical vortex models have been very successful in predicting and furthering the physical understanding of many flows, particularly in aerodynamics. Experimental models have the significant added convenience that the fluid mechanics can be generated by a real fluid, not a model, provided the appropriate dimensionless groups have similar values. Then, analogous problems can be encountered in making intelligible but independent descriptions of the experimental results. Finally, model predictions and experimental results may be compared if, and only if, numerical estimates of the likely variations in the tested quantities are provided. Examples from recent experimental measurements of wakes behind a fixed wing and behind a bird in free flight are used to illustrate these principles. PMID:14561348

  20. Model based manipulator control

    NASA Technical Reports Server (NTRS)

    Petrosky, Lyman J.; Oppenheim, Irving J.

    1989-01-01

    The feasibility of using model based control (MBC) for robotic manipulators was investigated. A double inverted pendulum system was constructed as the experimental system for a general study of dynamically stable manipulation. The original interest in dynamically stable systems was driven by the objective of high vertical reach (balancing), and the planning of inertially favorable trajectories for force and payload demands. The model-based control approach is described and the results of experimental tests are summarized. Results directly demonstrate that MBC can provide stable control at all speeds of operation and support operations requiring dynamic stability such as balancing. The application of MBC to systems with flexible links is also discussed.

  1. A new in vitro lipid digestion - in vivo absorption model to evaluate the mechanisms of drug absorption from lipid-based formulations.

    PubMed

    Crum, Matthew F; Trevaskis, Natalie L; Williams, Hywel D; Pouton, Colin W; Porter, Christopher J H

    2016-04-01

    In vitro lipid digestion models are commonly used to screen lipid-based formulations (LBF), but in vitro-in vivo correlations are in some cases unsuccessful. Here we enhance the scope of the lipid digestion test by incorporating an absorption 'sink' into the experimental model. An in vitro model of lipid digestion was coupled directly to a single pass in situ intestinal perfusion experiment in an anaesthetised rat. The model allowed simultaneous real-time analysis of the digestion and absorption of LBFs of fenofibrate and was employed to evaluate the influence of formulation digestion, supersaturation and precipitation on drug absorption. Formulations containing higher quantities of co-solvent and surfactant resulted in higher supersaturation and more rapid drug precipitation in vitro when compared to those containing higher quantities of lipid. In contrast, when the same formulations were examined using the coupled in vitro lipid digestion - in vivo absorption model, drug flux into the mesenteric vein was similar regardless of in vitro formulation performance. For some drugs, simple in vitro lipid digestion models may underestimate the potential for absorption from LBFs. Consistent with recent in vivo studies, drug absorption for rapidly absorbed drugs such as fenofibrate may occur even when drug precipitation is apparent during in vitro digestion.

  2. Lifespan based indirect response models

    PubMed Central

    Ruixo, Juan Jose Perez

    2012-01-01

    In the field of hematology, several mechanism-based pharmacokinetic-pharmacodynamic models have been developed to understand the dynamics of several blood cell populations under different clinical conditions while accounting for the essential underlying principles of pharmacology, physiology and pathology. In general, a population of blood cells is basically controlled by two processes: the cell production and cell loss. The assumption that each cell exits the population when its lifespan expires implies that the cell loss rate is equal to the cell production rate delayed by the lifespan and justifies the use of delayed differential equations for compartmental modeling. This review is focused on lifespan models based on delayed differential equations and presents the structure and properties of the basic lifespan indirect response (LIDR) models for drugs affecting cell production or cell lifespan distribution. The LIDR models for drugs affecting the precursor cell production or decreasing the precursor cell population are also presented and their properties are discussed. The interpretation of transit compartment models as LIDR models is reviewed as the basis for introducing a new LIDR for drugs affecting the cell lifespan distribution. Finally, the applications and limitations of the LIDR models are discussed. PMID:22212685

  3. Modeling molecular mechanisms in the axon

    NASA Astrophysics Data System (ADS)

    de Rooij, R.; Miller, K. E.; Kuhl, E.

    2017-03-01

    Axons are living systems that display highly dynamic changes in stiffness, viscosity, and internal stress. However, the mechanistic origin of these phenomenological properties remains elusive. Here we establish a computational mechanics model that interprets cellular-level characteristics as emergent properties from molecular-level events. We create an axon model of discrete microtubules, which are connected to neighboring microtubules via discrete crosslinking mechanisms that obey a set of simple rules. We explore two types of mechanisms: passive and active crosslinking. Our passive and active simulations suggest that the stiffness and viscosity of the axon increase linearly with the crosslink density, and that both are highly sensitive to the crosslink detachment and reattachment times. Our model explains how active crosslinking with dynein motors generates internal stresses and actively drives axon elongation. We anticipate that our model will allow us to probe a wide variety of molecular phenomena—both in isolation and in interaction—to explore emergent cellular-level features under physiological and pathological conditions.

  4. Modeling molecular mechanisms in the axon

    NASA Astrophysics Data System (ADS)

    de Rooij, R.; Miller, K. E.; Kuhl, E.

    2016-12-01

    Axons are living systems that display highly dynamic changes in stiffness, viscosity, and internal stress. However, the mechanistic origin of these phenomenological properties remains elusive. Here we establish a computational mechanics model that interprets cellular-level characteristics as emergent properties from molecular-level events. We create an axon model of discrete microtubules, which are connected to neighboring microtubules via discrete crosslinking mechanisms that obey a set of simple rules. We explore two types of mechanisms: passive and active crosslinking. Our passive and active simulations suggest that the stiffness and viscosity of the axon increase linearly with the crosslink density, and that both are highly sensitive to the crosslink detachment and reattachment times. Our model explains how active crosslinking with dynein motors generates internal stresses and actively drives axon elongation. We anticipate that our model will allow us to probe a wide variety of molecular phenomena—both in isolation and in interaction—to explore emergent cellular-level features under physiological and pathological conditions.

  5. Statistical mechanics of ontology based annotations

    NASA Astrophysics Data System (ADS)

    Hoyle, David C.; Brass, Andrew

    2016-01-01

    We present a statistical mechanical theory of the process of annotating an object with terms selected from an ontology. The term selection process is formulated as an ideal lattice gas model, but in a highly structured inhomogeneous field. The model enables us to explain patterns recently observed in real-world annotation data sets, in terms of the underlying graph structure of the ontology. By relating the external field strengths to the information content of each node in the ontology graph, the statistical mechanical model also allows us to propose a number of practical metrics for assessing the quality of both the ontology, and the annotations that arise from its use. Using the statistical mechanical formalism we also study an ensemble of ontologies of differing size and complexity; an analysis not readily performed using real data alone. Focusing on regular tree ontology graphs we uncover a rich set of scaling laws describing the growth in the optimal ontology size as the number of objects being annotated increases. In doing so we provide a further possible measure for assessment of ontologies.

  6. Mechanism of the Two-Phase Flow Model for Water and Gas Based on Adsorption and Desorption in Fractured Coal and Rock

    NASA Astrophysics Data System (ADS)

    Chen, Shikuo; Yang, Tianhong; Ranjith, P. G.; Wei, Chenhui

    2017-03-01

    Coalbed methane (CBM) is an important high-efficiency, clean-energy raw material with immense potential for application; however, its occurrence in low-permeability reservoirs limits its application. Hydraulic fracturing has been used in low-permeability CBM exploration and as a new technique for preventing gas hazards in coal mines. Fractures are the main pathways of fluid accumulation and migration, and they exert some control over the stability of rock mass. However, the differences in progression between the original fractures of the coal mass and the new discrete fractures caused by hydraulic fracturing remain unclear, and the unsaturated seepage flows require further study. Therefore, a cross-scale hydraulic fractured rock mass numerical model was developed by using the 3D fractured extrusion coupling variables reconstruction technique. This paper uses fracture surface parameters combined with the fractal dimension and multi-medium theory to provide a high-precision characterization and interpretation of the fracture mechanics. The mechanism of the permeability evolution of fractured coal and rock under stress-releasing mining combined with water injection was studied by considering gas adsorption and desorption as well as the coupling characteristic of seepage-stress in fractured rock masses. Aperture, contact area ratio, and stress in permeability and fracture development have a strong influence on the permeability and seepage path, which in turn control the effective radius by absolute water injection. All of these factors should be considered when studying the structural characteristics of rock masses.

  7. Switching mechanism in Co based amorphous wire

    NASA Astrophysics Data System (ADS)

    Nderu, J. N.; Yamasaki, J.; Humphrey, F. B.

    1997-04-01

    To get a deeper insight into the mechanism involved in the flux reversal of Co based wire we have tickled the wire with an ac field of smaller amplitude than the switching field, H*, and observed the signal induced in a pancake coil moved along the wire, vibrated a small coil along the wire and observed the induced signal, and taken the temperature dependence of normalized saturation magnetization, Ms, and H*. No signal was observed in the pancake coil in the tickling experiment. A signal that has peak values close to the wire ends, but practically zero in the central region, was observed in the vibrating coil. The variations of Ms and H* with temperature only show a correlation. The results of the above experiments suggest that for Co based wire the most reasonable mechanism for the flux switching is nucleation of a free wall other than the depinning of residual reverse domains at the wire ends.

  8. Implementing and Assessing Computational Modeling in Introductory Mechanics

    ERIC Educational Resources Information Center

    Caballero, Marcos D.; Kohlmyer, Matthew A.; Schatz, Michael F.

    2012-01-01

    Students taking introductory physics are rarely exposed to computational modeling. In a one-semester large lecture introductory calculus-based mechanics course at Georgia Tech, students learned to solve physics problems using the VPython programming environment. During the term, 1357 students in this course solved a suite of 14 computational…

  9. Material modeling of biofilm mechanical properties.

    PubMed

    Laspidou, C S; Spyrou, L A; Aravas, N; Rittmann, B E

    2014-05-01

    A biofilm material model and a procedure for numerical integration are developed in this article. They enable calculation of a composite Young's modulus that varies in the biofilm and evolves with deformation. The biofilm-material model makes it possible to introduce a modeling example, produced by the Unified Multi-Component Cellular Automaton model, into the general-purpose finite-element code ABAQUS. Compressive, tensile, and shear loads are imposed, and the way the biofilm mechanical properties evolve is assessed. Results show that the local values of Young's modulus increase under compressive loading, since compression results in the voids "closing," thus making the material stiffer. For the opposite reason, biofilm stiffness decreases when tensile loads are imposed. Furthermore, the biofilm is more compliant in shear than in compression or tension due to the how the elastic shear modulus relates to Young's modulus. Copyright © 2014 Elsevier Inc. All rights reserved.

  10. A Mechanical Model for Elastic Fiber Microbuckling

    NASA Technical Reports Server (NTRS)

    Waas, M. A.; Babcock, C. D., Jr.; Knauss, W. G.

    1990-01-01

    A two-dimensional mechanical model is presented to predict the compressive strength of unidirectional fiber composites using technical beam theory and classical elasticity. First, a single fiber resting on a matrix half-plane is considered. Next, a more elaborate analysis of a uniformly laminated, unidirectional fiber composite half-plane is presented. The model configuration incorporates a free edge which introduces a buckling mode that originates at the free edge and decays into the inferior of the half-plane. It is demonstrated that for composites of low volume fraction (less than 0.3), this decay mode furnishes values of buckling strain that are below the values predicted by the Rosen (1965) model. At a higher volume fraction the buckling mode corresponds to a half wavelength that is in violation of the usual assumptions of beam theory. Causes for deviations of the model prediction froi?i existing experimental results are discussed.

  11. A mechanical model for elastic fiber microbuckling

    NASA Technical Reports Server (NTRS)

    Waas, A. M.; Babcock, C. D., Jr.; Knauss, W. G.

    1990-01-01

    A two-dimensional mechanical model is presented to predict the compressive strength of unidirectional fiber composites using technical beam theory and classical elasticity. First, a single fiber resting on a matrix half-plane is considered. Next, a more elaborate analysis of a uniformly laminated, unidirectional fiber composite half-plane is presented. The model configuration incorporates a free edge which introduces a buckling mode that originates at the free edge and decays into the interior of the half-plane. It is demonstrated that for composites of low volume fraction (less than 0.3), this decay mode furnishes values of buckling strain that are below the values predicted by the Rosen (1965) model. At a higher volume fraction the buckling mode corresponds to a half-wavelength that is in violation of the usual assumptions of beam theory. Causes for deviations of the model prediction from existing experimental results are discussed.

  12. Models and Mechanisms of Vascular Dementia

    PubMed Central

    Venkat, Poornima; Chopp, Michael; Chen, Jieli

    2015-01-01

    Vascular Dementia (VaD) is the second leading form of dementia after Alzheimer’s disease (AD) plaguing the elderly population. VaD is a progressive disease caused by reduced blood flow to the brain, and it affects cognitive abilities especially executive functioning. VaD is poorly understood and lacks suitable animal models, which constrain the progress on understanding the basis of the disease and developing treatments. This review article discusses VaD, its risk factors, induced cognitive disability, various animal (rodent) models of VaD, pathology, and mechanisms of VaD and treatment options. PMID:25987538

  13. Implementation of 7e learning cycle model using technology based constructivist teaching (TBCT) approach to improve students' understanding achievment in mechanical wave material

    NASA Astrophysics Data System (ADS)

    Warliani, Resti; Muslim, Setiawan, Wawan

    2017-05-01

    This study aims to determine the increase in the understanding achievement in senior high school students through the Learning Cycle 7E with technology based constructivist teaching approach (TBCT). This study uses a pretest-posttest control group design. The participants were 67 high school students of eleventh grade in Garut city with two class in control and experiment class. Experiment class applying the Learning Cycle 7E through TBCT approach and control class applying the 7E Learning Cycle through Constructivist Teaching approach (CT). Data collection tools from mechanical wave concept test with totally 22 questions with reability coefficient was found 0,86. The findings show the increase of the understanding achievement of the experiment class is in the amount of 0.51 was higher than the control class that is in the amount of 0.33.

  14. In vivo evaluation of bioactive PMMA-based bone cement with unchanged mechanical properties in a load-bearing model on rabbits.

    PubMed

    Fottner, Andreas; Nies, Berthold; Kitanovic, Denis; Steinbrück, Arnd; Hausdorf, Jörg; Mayer-Wagner, Susanne; Pohl, Ulrich; Jansson, Volkmar

    2015-07-01

    Polymethylmethacrylate-based bone cements are widely used for fixation of joint replacements. To improve the long-term outcome, bioactive bone cements are aspired to advance the bone-cement interface. This study evaluated the in vivo properties of a new polymethylmethacrylate-based bioactive bone cement with addition of amphiphilic phosphorylated 2-hydroxyethylmethacrylate. Previous in vitro studies confirmed bioactive properties in cell culture, as well as unchanged mechanical properties are tests according to ISO 5833:2002.Three different variations of the cement (polymethylmethacrylate + phosphorylated 2-hydroxyethylmethacrylate, polymethylmethacrylate + phosphorylated 2-hydroxyethylmethacrylate + CaCl2 and polymethylmethacrylate + phosphorylated 2-hydroxyethylmethacrylate + CaCl2 + Na2CO3) were compared to conventional polymethylmethacrylate cement. To evaluate the properties under load-bearing conditions, a spacer prosthesis was implanted into the femoral diaphysis of 24 rabbits. Additionally, a cement plug was installed into the proximal tibia. After three months, polished sections with Giemsa surface staining were prepared. The bioactivity was determined using the bone affinity index.The sections showed a good osseointegration of the bioactive bone cement without cement cracks under load-bearing conditions. Regarding the bone affinity index, the bioactive bone cement revealed a significantly higher value in the proximal tibia (25.9-37.7%) and around the spacer prosthesis (36.8-58.9%) compared to the conventional polymethylmethacrylate cement (12.8-17.0%).The results confirm the in vivo bioactivity of this bone cement. The absence of cement cracks indicates a sufficient mechanical stability to fix prostheses with this bioactive cement, but for a final assessment long-term tests are necessary.

  15. A model for the nonlinear mechanism responsible for cochlear amplification.

    PubMed

    Fessel, Kimberly; Holmes, Mark H

    2014-12-01

    A nonlinear model for the mechanism responsible for the amplification of the sound wave in the ear is derived using the geometric and material properties of the system. The result is a nonlinear beam equation, with the nonlinearity appearing in a coefficient of the equation. Once derived, the beam problem is analyzed for various loading conditions. Based on this analysis it is seen that the mechanism is capable of producing a spatially localized gain, as required by any amplification mechanism, but it is also capable of increasing the spatial contrast in the signal.

  16. A fuzzy logic controller based approach to model the switching mechanism of the mammalian central carbon metabolic pathway in normal and cancer cells.

    PubMed

    Dasgupta, Abhijit; Paul, Debjyoti; De, Rajat K

    2016-07-19

    Dynamics of large nonlinear complex systems, like metabolic networks, depend on several parameters. A metabolic pathway may switch to another pathway in accordance with the current state of parameters in both normal and cancer cells. Here, most of the parameter values are unknown to us. A fuzzy logic controller (FLC) has been developed here for the purpose of modeling metabolic networks by approximating the reasons for the behaviour of a system and applying expert knowledge to track switching between metabolic pathways. The simulation results can track the switching between glycolysis and gluconeogenesis, as well as glycolysis and pentose phosphate pathways (PPP) in normal cells. Unlike normal cells, pyruvate kinase (M2 isoform) (PKM2) switches alternatively between its two oligomeric forms, i.e. an active tetramer and a relatively low activity dimer, in cancer cells. Besides, there is a coordination among PKM2 switching and enzymes catalyzing PPP. These phenomena help cancer cells to maintain their high energy demand and macromolecular synthesis. However, the reduction of initial adenosine triphosphate (ATP) to a very low concentration, decreasing initial glucose uptake, destroying coordination between glycolysis and PPP, and replacement of PKM2 by its relatively inactive oligomeric form (dimer) or inhibition of the translation of PKM2 may destabilize the mutated control mechanism of the mammalian central carbon metabolic (CCM) pathway in cancer cells. The performance of the model is compared appropriately with some existing ones.

  17. Parameter identification of hyperelastic material properties of the heel pad based on an analytical contact mechanics model of a spherical indentation.

    PubMed

    Suzuki, Ryo; Ito, Kohta; Lee, Taeyong; Ogihara, Naomichi

    2017-01-01

    Accurate identification of the material properties of the plantar soft tissue is important for computer-aided analysis of foot pathologies and design of therapeutic footwear interventions based on subject-specific models of the foot. However, parameter identification of the hyperelastic material properties of plantar soft tissues usually requires an inverse finite element analysis due to the lack of a practical contact model of the indentation test. In the present study, we derive an analytical contact model of a spherical indentation test in order to directly estimate the material properties of the plantar soft tissue. Force-displacement curves of the heel pads are obtained through an indentation experiment. The experimental data are fit to the analytical stress-strain solution of the spherical indentation in order to obtain the parameters. A spherical indentation approach successfully predicted the non-linear material properties of the heel pad without iterative finite element calculation. The force-displacement curve obtained in the present study was found to be situated lower than those identified in previous studies. The proposed framework for identifying the hyperelastic material parameters may facilitate the development of subject-specific FE modeling of the foot for possible clinical and ergonomic applications. Copyright © 2016 Elsevier Ltd. All rights reserved.

  18. Symmetry-based reciprocity: evolutionary constraints on a proximate mechanism.

    PubMed

    Campennì, Marco; Schino, Gabriele

    2016-01-01

    Background. While the evolution of reciprocal cooperation has attracted an enormous attention, the proximate mechanisms underlying the ability of animals to cooperate reciprocally are comparatively neglected. Symmetry-based reciprocity is a hypothetical proximate mechanism that has been suggested to be widespread among cognitively unsophisticated animals. Methods. We developed two agent-based models of symmetry-based reciprocity (one relying on an arbitrary tag and the other on interindividual proximity) and tested their ability both to reproduce significant emergent features of cooperation in group living animals and to promote the evolution of cooperation. Results. Populations formed by agents adopting symmetry-based reciprocity showed differentiated "social relationships" and a positive correlation between cooperation given and received: two common aspects of animal cooperation. However, when reproduction and selection across multiple generations were added to the models, agents adopting symmetry-based reciprocity were outcompeted by selfish agents that never cooperated. Discussion. In order to evolve, hypothetical proximate mechanisms must be able to stand competition from alternative strategies. While the results of our simulations require confirmation using analytical methods, we provisionally suggest symmetry-based reciprocity is to be abandoned as a possible proximate mechanism underlying the ability of animals to reciprocate cooperative interactions.

  19. Symmetry-based reciprocity: evolutionary constraints on a proximate mechanism

    PubMed Central

    Campennì, Marco

    2016-01-01

    Background. While the evolution of reciprocal cooperation has attracted an enormous attention, the proximate mechanisms underlying the ability of animals to cooperate reciprocally are comparatively neglected. Symmetry-based reciprocity is a hypothetical proximate mechanism that has been suggested to be widespread among cognitively unsophisticated animals. Methods. We developed two agent-based models of symmetry-based reciprocity (one relying on an arbitrary tag and the other on interindividual proximity) and tested their ability both to reproduce significant emergent features of cooperation in group living animals and to promote the evolution of cooperation. Results. Populations formed by agents adopting symmetry-based reciprocity showed differentiated “social relationships” and a positive correlation between cooperation given and received: two common aspects of animal cooperation. However, when reproduction and selection across multiple generations were added to the models, agents adopting symmetry-based reciprocity were outcompeted by selfish agents that never cooperated. Discussion. In order to evolve, hypothetical proximate mechanisms must be able to stand competition from alternative strategies. While the results of our simulations require confirmation using analytical methods, we provisionally suggest symmetry-based reciprocity is to be abandoned as a possible proximate mechanism underlying the ability of animals to reciprocate cooperative interactions. PMID:26998412

  20. Numerical modeling of polar mesocyclones generation mechanisms

    NASA Astrophysics Data System (ADS)

    Sergeev, Dennis; Stepanenko, Victor

    2013-04-01

    Polar mesocyclones, commonly referred to as polar lows, remain of great interest due to their complicated dynamics. These mesoscale vortices are small short-living objects that are formed over the observation-sparse high-latitude oceans, and therefore, their evolution can hardly be observed and predicted numerically. The origin of polar mesoscale cyclones is still a matter of uncertainty, though the recent numerical investigations [3] have exposed a strong dependence of the polar mesocyclone development upon the magnitude of baroclinicity. Nevertheless, most of the previous studies focused on the individual polar low (the so-called case studies), with too many factors affecting it simultaneously. None of the earlier studies suggested a clear picture of polar mesocyclone generation within an idealized experiment, where it is possible to look deeper into each single physical process. The present paper concentrates on the initial triggering mechanism of the polar mesocyclone. As it is reported by many researchers, some mesocyclones are formed by the surface forcing, namely the uneven distribution of heat fluxes. That feature is common on the ice boundaries [2], where intense air stream flows from the cold ice surface to the warm sea surface. Hence, the resulting conditions are shallow baroclinicity and strong surface heat fluxes, which provide an arising polar mesocyclone with potential energy source converting it to the kinetic energy of the vortex. It is shown in this paper that different surface characteristics, including thermal parameters and, for example, the shape of an ice edge, determine an initial phase of a polar low life cycle. Moreover, it is shown what initial atmospheric state is most preferable for the formation of a new polar mesocyclone or in maintaining and reinforcing the existing one. The study is based on idealized high-resolution (~2 km) numerical experiment in which baroclinicity, stratification, initial wind profile and disturbance, surface

  1. Modeling and optimization of magnetostrictive actuator amplified by compliant mechanism

    NASA Astrophysics Data System (ADS)

    Niu, Muqing; Yang, Bintang; Yang, Yikun; Meng, Guang

    2017-09-01

    Magnetostrictive actuators are commonly used in precision engineering with the advantages of high resolution and fast response. Their limited strokes are always amplified by compliant mechanisms without wear and backlash. This paper proposes a hybrid model for the actuation system considering the coupling of the actuator and the amplifier. The magnetostrictive model, based on the Jiles-Atherton model, is related to the input stiffness of the amplifier when quantifying the magneto-mechanical effects, including stress-dependent magnetization, stress-dependent magnetostriction and ΔE effect. The compliant mechanism model aims at constructing the flexibility matrix with the amplification ratio and input stiffness related to the spring factor of the load. The deformation and structural stress of the amplifier are also dependent on the output strain of magnetostrictive material. Experiments under both free load and spring load conditions have been done to verify the effectiveness of the hybrid model. The proposed model is suitable for parameter optimization and the performance indicators can be precisely quantified. Optimization based on hybrid model is more preferred than optimizing the actuator and amplifier independently for maximum output displacement. Furthermore, ‘stiffness match principle’ is no longer applicable when considering ΔE effect, and the optimal external stiffness problem can be numerically solved by the hybrid model for maximum output energy of magnetostrictive material.

  2. An FE model of a cellular polypropylene: exploring mechanical properties

    NASA Astrophysics Data System (ADS)

    Sgardelis, Pavlos; Pozzi, Michele

    2017-05-01

    Several analytical models have been suggested to describe the changes in the electromechanical properties of Cellular Polypropylene (Cell-PP) due to charging. However, there is a limited number of studies considering the non-linear dependence of the piezoelectric coefficient d33 on the mechanical load applied. One of the main reasons for this nonlinearity is the stiffness of the film that increases proportionally to the applied mechanical load. Moreover the size and shape distribution of the enclosed voids is an important determinant of the electromechanical properties. In this work, the geometry of a 3D model of Cell-PP is designed on the basis of analytical Splines. Both the manufacturing procedure of Cell-PP films (bi-axial stretching) and the pressure expansion treatment were simulated in order to account for a realistic void distribution. The FEA is done on a 2D cross-section of the modelled film. The modelled mechanical response is analysed based on increasing mechanical load applied. The load-deflection curves obtained from the analysis are then compared to the experimental results acquired via Dynamical Mechanical Analyzer (DMA) to validate the model. Four types of Cell-PP films, expanded at different pressures, were used in this validation. The aim is to develop a model that describes the effect of morphological parameters on the stiffness of the films by simulating the manufacturing procedure.

  3. Mechanical model for fiber-laden membranes

    NASA Astrophysics Data System (ADS)

    Rey, Alejandro D.; Murugesan, Yogesh K.

    2011-01-01

    An integrated mechanical model for fiber-laden membranes is presented and representative predictions of relevance to cellulose ordering and orientation in the plant cell wall are presented. The model describes nematic liquid crystalline self-assembly of rigid fibers on an arbitrarily curved fluid membrane. The mechanics of the fluid membrane is described by the Helfrich bending-torsion model, the fiber self-assembly is described by the 2D Landau-de Gennes quadrupolar Q-tensor order parameter model, and the fiber-membrane interactions (inspired by an extension of the 2D Maier-Saupe model to curved surfaces) include competing curvo-philic (curvature-seeking) and curvo-phobic (curvature-avoiding) effects. Analysis of the free energy reveals three fiber orientation regimes: (a) along the major curvature, (b) along the minor curvature, (c) away from the principal curvatures, according to the competing curvo-philic and curvo-phobic interactions. The derived shape equation (normal stress balance) now includes curvature-nematic ordering contributions, with both bending and torsion renormalizations. Integration of the shape and nematic order equations gives a complete model whose solution describes the coupled membrane shape/fiber order state. Applications to cylindrical membranes, relevant to the plant cell wall, shows how growth decreases the fiber order parameter and moves the fibers' director from the axial direction towards the azimuthal orientation, eventually leading to a state of stress predicted by pure membranes. The ubiquitous 54.7° cellulose fibril orientation with respect to the long axis in a cylindrical plant cell wall is shown to be predicted by the preset model when the ratio of curvo-phobic and curvo-philic interactions is in the range of the cylinder radius.

  4. Information model construction of MES oriented to mechanical blanking workshop

    NASA Astrophysics Data System (ADS)

    Wang, Jin-bo; Wang, Jin-ye; Yue, Yan-fang; Yao, Xue-min

    2016-11-01

    Manufacturing Execution System (MES) is one of the crucial technologies to implement informatization management in manufacturing enterprises, and the construction of its information model is the base of MES database development. Basis on the analysis of the manufacturing process information in mechanical blanking workshop and the information requirement of MES every function module, the IDEF1X method was adopted to construct the information model of MES oriented to mechanical blanking workshop, and a detailed description of the data structure feature included in MES every function module and their logical relationship was given from the point of view of information relationship, which laid the foundation for the design of MES database.

  5. Skull base tumor model.

    PubMed

    Gragnaniello, Cristian; Nader, Remi; van Doormaal, Tristan; Kamel, Mahmoud; Voormolen, Eduard H J; Lasio, Giovanni; Aboud, Emad; Regli, Luca; Tulleken, Cornelius A F; Al-Mefty, Ossama

    2010-11-01

    Resident duty-hours restrictions have now been instituted in many countries worldwide. Shortened training times and increased public scrutiny of surgical competency have led to a move away from the traditional apprenticeship model of training. The development of educational models for brain anatomy is a fascinating innovation allowing neurosurgeons to train without the need to practice on real patients and it may be a solution to achieve competency within a shortened training period. The authors describe the use of Stratathane resin ST-504 polymer (SRSP), which is inserted at different intracranial locations to closely mimic meningiomas and other pathological entities of the skull base, in a cadaveric model, for use in neurosurgical training. Silicone-injected and pressurized cadaveric heads were used for studying the SRSP model. The SRSP presents unique intrinsic metamorphic characteristics: liquid at first, it expands and foams when injected into the desired area of the brain, forming a solid tumorlike structure. The authors injected SRSP via different passages that did not influence routes used for the surgical approach for resection of the simulated lesion. For example, SRSP injection routes included endonasal transsphenoidal or transoral approaches if lesions were to be removed through standard skull base approach, or, alternatively, SRSP was injected via a cranial approach if the removal was planned to be via the transsphenoidal or transoral route. The model was set in place in 3 countries (US, Italy, and The Netherlands), and a pool of 13 physicians from 4 different institutions (all surgeons and surgeons in training) participated in evaluating it and provided feedback. All 13 evaluating physicians had overall positive impressions of the model. The overall score on 9 components evaluated--including comparison between the tumor model and real tumor cases, perioperative requirements, general impression, and applicability--was 88% (100% being the best possible

  6. Mechanical-mathematical modeling for landslide process

    NASA Astrophysics Data System (ADS)

    Svalova, V.

    2009-04-01

    500 m and displacement of a landslide in the plan over 1 m. Last serious activization of a landslide has taken place in 2002 with a motion on 53 cm. Catastrophic activization of the deep blockglide landslide in the area of Khoroshevo in Moscow took place in 2006-2007. A crack of 330 m long appeared in the old sliding circus, along which a new 220 m long creeping block was separated from the plateau and began sinking with a displaced surface of the plateau reaching to 12 m. Such activization of the landslide process was not observed in Moscow since mid XIX century. The sliding area of Khoroshevo was stable during long time without manifestations of activity. Revealing of the reasons of deformation and development of ways of protection from deep landslide motions is extremely actual and difficult problem which decision is necessary for preservation of valuable historical monuments and modern city constructions. The reasons of activization and protective measures are discussed. Structure of monitoring system for urban territories is elaborated. Mechanical-mathematical model of high viscous fluid was used for modeling of matter behavior on landslide slopes. Equation of continuity and an approximated equation of the Navier-Stockes for slow motions in a thin layer were used. The results of modelling give possibility to define the place of highest velocity on landslide surface, which could be the best place for monitoring post position. Model can be used for calibration of monitoring equipment and gives possibility to investigate some fundamental aspects of matter movement on landslide slope.

  7. Medicinal effect and its JP2/RyR2-based mechanism of Smilax glabra flavonoids on angiotensin II-induced hypertrophy model of cardiomyocytes.

    PubMed

    Cai, Yueqin; Tu, Jue; Pan, Shuizhen; Jiang, Jianping; Shou, Qiyang; Ling, Yun; Chen, Yunxiang; Wang, Dejun; Yang, Weiji; Shan, Letian; Chen, Minli

    2015-07-01

    Rhizome and root of Smilax glabra Roxb (Liliaceae family) is a widely used traditional Chinese medicine (TCM) named Tu-fu-ling (TFL) for cardiac disease therapy. The TFL flavonoids (TFLF) has been extracted and proven to possess the anti-cardiac hypertrophy effect in our previous reports. Such effect could be mediated by the modulation of intracellular Ca(2+) flux in myocardial cells, in which junctophilin-2 (JP2) and ryanodine receptor 2 (RyR2) play an important role. However, its mechanism of the anti-cardiac hypertrophy effect remains unclarified. 2μmol/L Ang II was applied to induce hypertrophy model of rat primary cardiomyocytes. After treatment of TFLF at 0.25, 0.5 and 1.0mg/ml, the cell size was microscopic measured, and the protein and mRNA expressions of JP2 and RyR2 in cardiomyocytes were estimated by immunofluorescence imaging, ELISA and real-time PCR assay. Obvious hypertrophy of cardiomyocytes was induced by Ang II but reversed by TFLF from 0.5 to 1.0mg/ml. The protein and mRNA expressions of JP2 and RyR2 in cardiomyocytes were also inhibited by Ang II but restored by TFLF at its dose range. Such effect of TFLF was exerted at a dose dependent manner, which was even better than that of verapamil. Our findings may evidence the correlation between JP2/RyR2 and myocardiac hypertrophy, and indicate the JP2/RyR2-mediated anti-hypertrophy mechanism of TFLF for the first time. It deserves to be developed as a promising TCM candidate of new drug for myocardial hypertrophy treatment. Copyright © 2015 Elsevier Ireland Ltd. All rights reserved.

  8. Development of a mechanism and an accurate and simple mathematical model for the description of drug release: Application to a relevant example of acetazolamide-controlled release from a bio-inspired elastin-based hydrogel.

    PubMed

    Fernández-Colino, A; Bermudez, J M; Arias, F J; Quinteros, D; Gonzo, E

    2016-04-01

    Transversality between mathematical modeling, pharmacology, and materials science is essential in order to achieve controlled-release systems with advanced properties. In this regard, the area of biomaterials provides a platform for the development of depots that are able to achieve controlled release of a drug, whereas pharmacology strives to find new therapeutic molecules and mathematical models have a connecting function, providing a rational understanding by modeling the parameters that influence the release observed. Herein we present a mechanism which, based on reasonable assumptions, explains the experimental data obtained very well. In addition, we have developed a simple and accurate “lumped” kinetics model to correctly fit the experimentally observed drug-release behavior. This lumped model allows us to have simple analytic solutions for the mass and rate of drug release as a function of time without limitations of time or mass of drug released, which represents an important step-forward in the area of in vitro drug delivery when compared to the current state of the art in mathematical modeling. As an example, we applied the mechanism and model to the release data for acetazolamide from a recombinant polymer. Both materials were selected because of a need to develop a suitable ophthalmic formulation for the treatment of glaucoma. The in vitro release model proposed herein provides a valuable predictive tool for ensuring product performance and batch-to-batch reproducibility, thus paving the way for the development of further pharmaceutical devices.

  9. Physical modeling of transverse drainage mechanisms

    NASA Astrophysics Data System (ADS)

    Douglass, J. C.; Schmeeckle, M. W.

    2005-12-01

    Streams that incise across bedrock highlands such as anticlines, upwarps, cuestas, or horsts are termed transverse drainages. Their relevance today involves such diverse matters as highway and dam construction decisions, location of wildlife corridors, better-informed sediment budgets, and detailed studies into developmental histories of late Cenozoic landscapes. The transient conditions responsible for transverse drainage incision have been extensively studied on a case-by-case basis, and the dominate mechanisms proposed include: antecedence, superimposition, overflow, and piracy. Modeling efforts have been limited to antecedence, and such the specific erosional conditions required for transverse drainage incision, with respect to the individual mechanisms, remains poorly understood. In this study, fifteen experiments attempted to simulate the four mechanisms and constructed on a 9.15 m long, 2.1 m wide, and 0.45 m deep stream table. Experiments lasted between 50 and 220 minutes. The stream table was filled with seven tons of sediment consisting of a silt and clay (30%) and a fine to coarse sand (70%) mixture. The physical models highlighted the importance of downstream aggradation with regard to antecedent incision versus possible defeat and diversion. The overflow experiments indicate that retreating knickpoints across a basin outlet produce a high probability of downstream flooding when associated with a deep lake. Misters used in a couple of experiments illustrate a potential complication with regard to headward erosion driven piracy. Relatively level asymmetrically sloped ridges allow for the drainage divide across the ridge to retreat from headward erosion, but hindered when the ridge's apex undulates or when symmetrically sloped. Although these physical models cannot strictly simulate natural transverse drainages, the observed processes, their development over time, and resultant landforms roughly emulate their natural counterparts. Proposed originally from

  10. Model-Based Improvement

    DTIC Science & Technology

    2006-10-01

    2006 4. TITLE AND SUBTITLE Model-Based Improvement 5a. CONTRACT NUMBER 5b. GRANT NUMBER 5c. PROGRAM ELEMENT NUMBER 6. AUTHOR( S ) 5d. PROJECT...NUMBER 5e. TASK NUMBER 5f. WORK UNIT NUMBER 7. PERFORMING ORGANIZATION NAME( S ) AND ADDRESS(ES) Carnegie Mellon University ,Software Engineering...Institute (SEI),Pittsburgh,PA,15213 8. PERFORMING ORGANIZATION REPORT NUMBER 9. SPONSORING/MONITORING AGENCY NAME( S ) AND ADDRESS(ES) 10. SPONSOR/MONITOR’S

  11. Collision-based mechanics of bipedal hopping.

    PubMed

    Gutmann, Anne K; Lee, David V; McGowan, Craig P

    2013-08-23

    The muscle work required to sustain steady-speed locomotion depends largely upon the mechanical energy needed to redirect the centre of mass and the degree to which this energy can be stored and returned elastically. Previous studies have found that large bipedal hoppers can elastically store and return a large fraction of the energy required to hop, whereas small bipedal hoppers can only elastically store and return a relatively small fraction. Here, we consider the extent to which large and small bipedal hoppers (tammar wallabies, approx. 7 kg, and desert kangaroo rats, approx. 0.1 kg) reduce the mechanical energy needed to redirect the centre of mass by reducing collisions. We hypothesize that kangaroo rats will reduce collisions to a greater extent than wallabies since kangaroo rats cannot elastically store and return as high a fraction of the mechanical energy of hopping as wallabies. We find that kangaroo rats use a significantly smaller collision angle than wallabies by employing ground reaction force vectors that are more vertical and center of mass velocity vectors that are more horizontal and thereby reduce their mechanical cost of transport. A collision-based approach paired with tendon morphometry may reveal this effect more generally among bipedal runners and quadrupedal trotters.

  12. Collision-based mechanics of bipedal hopping

    PubMed Central

    Gutmann, Anne K.; Lee, David V.; McGowan, Craig P.

    2013-01-01

    The muscle work required to sustain steady-speed locomotion depends largely upon the mechanical energy needed to redirect the centre of mass and the degree to which this energy can be stored and returned elastically. Previous studies have found that large bipedal hoppers can elastically store and return a large fraction of the energy required to hop, whereas small bipedal hoppers can only elastically store and return a relatively small fraction. Here, we consider the extent to which large and small bipedal hoppers (tammar wallabies, approx. 7 kg, and desert kangaroo rats, approx. 0.1 kg) reduce the mechanical energy needed to redirect the centre of mass by reducing collisions. We hypothesize that kangaroo rats will reduce collisions to a greater extent than wallabies since kangaroo rats cannot elastically store and return as high a fraction of the mechanical energy of hopping as wallabies. We find that kangaroo rats use a significantly smaller collision angle than wallabies by employing ground reaction force vectors that are more vertical and center of mass velocity vectors that are more horizontal and thereby reduce their mechanical cost of transport. A collision-based approach paired with tendon morphometry may reveal this effect more generally among bipedal runners and quadrupedal trotters. PMID:23843217

  13. Mechanical model of an earthquake fault

    NASA Technical Reports Server (NTRS)

    Carlson, J. M.; Langer, J. S.

    1989-01-01

    The dynamic behavior of a simple mechanical model of an earthquake fault is studied. This model, introduced originally by Burridge and Knopoff (1967), consists of an elastically coupled chain of masses in contact with a moving rough surface. The present version of the model retains the full Newtonian dynamics with inertial effects and contains no externally imposed stochasticity or spatial inhomogeneity. The only nonlinear feature is a velocity-weakening stick-slip friction force between the masses and the moving surface. This system is being driven persistently toward a slipping instability and therefore exhibits noisy sequences of earthquakelike events. These events are observed in numerical simulations, and many of their features can be predicted analytically.

  14. Experimental models and mechanisms of enhanced coughing

    PubMed Central

    Bolser, Donald C.

    2011-01-01

    Enhanced coughing can be produced in a variety of animal models, including the guinea pig, cat, dog and pig. Typically, airway inflammation has been produced by sensitization, exposure to cigarette smoke, sulphur dioxide or angiotensin-converting enzyme inhibitors. In some of these models, inflammatory mediators such as bradykinin and tachykinins have been shown to contribute to the enhanced coughing. While most of these studies have focussed on peripheral mechanisms, increases in central excitability of the cough reflex have been shown to occur as a result of airway inflammation. As such, we propose that enhanced coughing in pathological conditions is the result of plastic changes in both peripheral and central neural elements. Furthermore, we present a modified model of the neurogenesis of cough that takes into account peripheral and central plasticity induced by mediators of inflammation. PMID:15564080

  15. Model-Based Systems

    NASA Technical Reports Server (NTRS)

    Frisch, Harold P.

    2007-01-01

    Engineers, who design systems using text specification documents, focus their work upon the completed system to meet Performance, time and budget goals. Consistency and integrity is difficult to maintain within text documents for a single complex system and more difficult to maintain as several systems are combined into higher-level systems, are maintained over decades, and evolve technically and in performance through updates. This system design approach frequently results in major changes during the system integration and test phase, and in time and budget overruns. Engineers who build system specification documents within a model-based systems environment go a step further and aggregate all of the data. They interrelate all of the data to insure consistency and integrity. After the model is constructed, the various system specification documents are prepared, all from the same database. The consistency and integrity of the model is assured, therefore the consistency and integrity of the various specification documents is insured. This article attempts to define model-based systems relative to such an environment. The intent is to expose the complexity of the enabling problem by outlining what is needed, why it is needed and how needs are being addressed by international standards writing teams.

  16. Mechanism and models for zinc metal morphology in alkaline media

    NASA Technical Reports Server (NTRS)

    May, C. E.; Kautz, H. E.

    1981-01-01

    Based on experimental observations, a mechanism is presented to explain existence of the different morphologies of electrodeposited zinc in alkaline solution. The high current density dendrites appear to be due to more rapid growth on the nonbasal crystallographic planes than on the basal plane. The low current density moss apparently results from dissolution from the nonbasal planes at low cathodic voltages. Electrochemical models were sought which would produce such a phenomenon. The fundamental plating mechanism alone accounts only for different rates on different planes, not for zinc dissolution from a plane in the cathodic region. Fourteen models were explored; two models were in accord with the proposed mechanism. One involves rapid disproportionation of the zinc +1 species on the nonbasal planes. The other involves a redox reaction (corrosion) between the zinc-zincate and hydrogen-water systems.

  17. Mechanical Model of Traditional Thai Massage for Integrated Healthcare.

    PubMed

    Rattanaphan, Salinee; Srichandr, Panya

    2015-01-01

    In this study, a mechanical model was developed, aiming to provide standardized and programmable traditional Thai massage (TTM) therapy to patients. The TTM was modeled and integrated into a mechanical hand (MH) system, and a prototype massage chair was built and tested for user satisfaction. Three fundamental principles of Thai massage were integrated: pull, press, and pin. Based on these principles, the mechanics of Thai massage was studied and a mathematical model was developed to describe the dynamics and conditions for the design and prototyping of an MH. On average, it was found that users were satisfied with the treatment and felt that the treatment was similar to that performed by human hands. According to the interview results, users indicated that they were likely to utilize the MH as an alternative to traditional massage. Therefore, integrated TTM with an MH may help healthcare providers deliver standardized, programmable massage therapy to patients as opposed to variable, inconsistent human massage.

  18. A Separable, Dynamically Local Ontological Model of Quantum Mechanics

    NASA Astrophysics Data System (ADS)

    Pienaar, Jacques

    2016-01-01

    A model of reality is called separable if the state of a composite system is equal to the union of the states of its parts, located in different regions of space. Spekkens has argued that it is trivial to reproduce the predictions of quantum mechanics using a separable ontological model, provided one allows for arbitrary violations of `dynamical locality'. However, since dynamical locality is strictly weaker than local causality, this leaves open the question of whether an ontological model for quantum mechanics can be both separable and dynamically local. We answer this question in the affirmative, using an ontological model based on previous work by Deutsch and Hayden. Although the original formulation of the model avoids Bell's theorem by denying that measurements result in single, definite outcomes, we show that the model can alternatively be cast in the framework of ontological models, where Bell's theorem does apply. We find that the resulting model violates local causality, but satisfies both separability and dynamical locality, making it a candidate for the `most local' ontological model of quantum mechanics.

  19. Modeling of rolling element bearing mechanics

    NASA Technical Reports Server (NTRS)

    Greenhill, L. M.

    1991-01-01

    Roller element bearings provide the primary mechanical interface between rotating and nonrotating components in the high performance turbomachinery of the Space Shuttle Main Engine (SSME). Knowledge of bearing behavior under various loading and environmental conditions is essential to predicting and understanding the overall behavior of turbopumps, including rotordynamic stability, critical speeds and bearing life. The objective is to develop mathematical models and computer programs to describe the mechanical behavior of ball and cylinder roller bearings under the loading and environmental conditions encountered in the SSME and future high performance rocket engines. This includes characteristics such as nonlinear load/motion relationships, stiffness and damping, rolling element loads for life prediction, and roller and cage stability.

  20. Mechanism of base activation of persulfate.

    PubMed

    Furman, Olha S; Teel, Amy L; Watts, Richard J

    2010-08-15

    Base is the most commonly used activator of persulfate for the treatment of contaminated groundwater by in situ chemical oxidation (ISCO). A mechanism for the base activation of persulfate is proposed involving the base-catalyzed hydrolysis of persulfate to hydroperoxide anion and sulfate followed by the reduction of another persulfate molecule by hydroperoxide. Reduction by hydroperoxide decomposes persulfate into sulfate radical and sulfate anion, and hydroperoxide is oxidized to superoxide. The base-catalyzed hydrolysis of persulfate was supported by kinetic analyses of persulfate decomposition at various base:persulfate molar ratios and an increased rate of persulfate decomposition in D(2)O vs H(2)O. Stoichiometric analyses confirmed that hydroperoxide reacts with persulfate in a 1:1 molar ratio. Addition of hydroperoxide to basic persulfate systems resulted in rapid decomposition of the hydroperoxide and persulfate and decomposition of the superoxide probe hexachloroethane. The presence of superoxide was confirmed with scavenging by Cu(II). Electron spin resonance spectroscopy confirmed the generation of sulfate radical, hydroxyl radical, and superoxide. The results of this research are consistent with the widespread reactivity reported for base-activated persulfate when it is used for ISCO.

  1. An adaptation model for trabecular bone at different mechanical levels

    PubMed Central

    2010-01-01

    Background Bone has the ability to adapt to mechanical usage or other biophysical stimuli in terms of its mass and architecture, indicating that a certain mechanism exists for monitoring mechanical usage and controlling the bone's adaptation behaviors. There are four zones describing different bone adaptation behaviors: the disuse, adaptation, overload, and pathologic overload zones. In different zones, the changes of bone mass, as calculated by the difference between the amount of bone formed and what is resorbed, should be different. Methods An adaptation model for the trabecular bone at different mechanical levels was presented in this study based on a number of experimental observations and numerical algorithms in the literature. In the proposed model, the amount of bone formation and the probability of bone remodeling activation were proposed in accordance with the mechanical levels. Seven numerical simulation cases under different mechanical conditions were analyzed as examples by incorporating the adaptation model presented in this paper with the finite element method. Results The proposed bone adaptation model describes the well-known bone adaptation behaviors in different zones. The bone mass and architecture of the bone tissue within the adaptation zone almost remained unchanged. Although the probability of osteoclastic activation is enhanced in the overload zone, the potential of osteoblasts to form bones compensate for the osteoclastic resorption, eventually strengthening the bones. In the disuse zone, the disuse-mode remodeling removes bone tissue in disuse zone. Conclusions The study seeks to provide better understanding of the relationships between bone morphology and the mechanical, as well as biological environments. Furthermore, this paper provides a computational model and methodology for the numerical simulation of changes of bone structural morphology that are caused by changes of mechanical and biological environments. PMID:20598128

  2. Unraveling the binding mechanism of polyoxyethylene sorbitan esters with bovine serum albumin: a novel theoretical model based on molecular dynamic simulations.

    PubMed

    Delgado-Magnero, Karelia H; Valiente, Pedro A; Ruiz-Peña, Miriam; Pérez-Gramatges, Aurora; Pons, Tirso

    2014-04-01

    To gain a better understanding of the interactions governing the binding mechanism of proteins with non-ionic surfactants, the association processes of Tween 20 and Tween 80 with the bovine serum albumin (BSA) protein were investigated using molecular dynamics (MD) simulations. Protein:surfactant molar ratios were chosen according to the critical micelle concentration (CMC) of each surfactant in the presence of BSA. It was found that both the hydrophilic and the hydrophobic groups of the BSA equally contribute to the surface area of interaction with the non-ionic surfactants. A novel theoretical model for the interactions between BSA and these surfactants at the atomic level is proposed, where both surfactants bind to non-specific domains of the BSA three-dimensional structure mainly through their polyoxyethylene groups, by hydrogen bonds and van der Waals interactions. This is well supported by the strong electrostatic and van der Waals interaction energies obtained in the calculations involving surfactant polyoxyethylene groups and different protein regions. The results obtained from the MD simulations suggest that the formation of surfactant clusters over the BSA structure, due to further cooperative self-assembly of Tween molecules, could increase the protein conformational stability. These results extend the current knowledge on molecular interactions between globular proteins and non-ionic surfactants, and contribute to the fine-tuning design of protein formulations using polysorbates as excipients for minimizing the undesirable effects of protein adsorption and aggregation.

  3. Studies on mechanisms of interferon-gamma action in pancreatic cancer using a data-driven and model-based approach

    PubMed Central

    2011-01-01

    Background Interferon-gamma (IFNγ) is a multifunctional cytokine with antifibrotic and antiproliferative efficiency. We previously found that pancreatic stellate cells (PSC), the main effector cells in cancer-associated fibrosis, are targets of IFNγ action in the pancreas. Applying a combined experimental and computational approach, we have demonstrated a pivotal role of STAT1 in IFNγ signaling in PSC. Using in vivo and in vitro models of pancreatic cancer, we have now studied IFNγ effects on the tumor cells themselves. We hypothesize that IFNγ inhibits tumor progression through two mechanisms, reduction of fibrogenesis and antiproliferative effects on the tumor cells. To elucidate the molecular action of IFNγ, we have established a mathematical model of STAT1 activation and combined experimental studies with computer simulations. Results In BALB/c-nu/nu mice, flank tumors composed of DSL-6A/C1 pancreatic cancer cells and PSC grew faster than pure DSL-6A/C1 cell tumors. IFNγ inhibited the growth of both types of tumors to a similar degree. Since the stroma reaction typically reduces the efficiency of therapeutic agents, these data suggested that IFNγ may retain its antitumor efficiency in PSC-containing tumors by targeting the stellate cells. Studies with cocultures of DSL-6A/C1 cells and PSC revealed a modest antiproliferative effect of IFNγ under serum-free conditions. Immunoblot analysis of STAT1 phosphorylation and confocal microscopy studies on the nuclear translocation of STAT1 in DSL-6A/C1 cells suggested that IFNγ-induced activation of the transcription factor was weaker than in PSC. The mathematical model not only reproduced the experimental data, but also underscored the conclusions drawn from the experiments by indicating that a maximum of 1/500 of total STAT1 is located as phosphorylated STAT1 in the nucleus upon IFNγ treatment of the tumor cells. Conclusions IFNγ is equally effective in DSL-6A/C1 tumors with and without stellate cells

  4. Probability-based TCP congestion control mechanism

    NASA Astrophysics Data System (ADS)

    Xu, Changbiao; Yang, Shizhong; Xian, Yongju

    2005-11-01

    To mitigate TCP global synchronization and improve network throughput, an improved TCP congestion control mechanism is proposed, namely P-TCP, which adopts the probability-based way to adjust congestion window independently when the network occurs congestion. Therefore, some P-TCP connections may decrease the congestion window greatly while other P-TCP connections may decrease the congestion window lightly. Simulation results show that TCP global synchronization can be effectively mitigated, which leads to efficient utilization of network resources as well as the effective mitigation for network congestion. Simulation results also give some valuable references for determining the related parameters in P-TCP.

  5. Mechanical Models of Fault-Related Folding

    SciTech Connect

    Johnson, A. M.

    2003-01-09

    The subject of the proposed research is fault-related folding and ground deformation. The results are relevant to oil-producing structures throughout the world, to understanding of damage that has been observed along and near earthquake ruptures, and to earthquake-producing structures in California and other tectonically-active areas. The objectives of the proposed research were to provide both a unified, mechanical infrastructure for studies of fault-related foldings and to present the results in computer programs that have graphical users interfaces (GUIs) so that structural geologists and geophysicists can model a wide variety of fault-related folds (FaRFs).

  6. A mechanical model of bacteriophage DNA ejection

    NASA Astrophysics Data System (ADS)

    Arun, Rahul; Ghosal, Sandip

    2017-08-01

    Single molecule experiments on bacteriophages show an exponential scaling for the dependence of mobility on the length of DNA within the capsid. It has been suggested that this could be due to the ;capstan mechanism; - the exponential amplification of friction forces that result when a rope is wound around a cylinder as in a ship's capstan. Here we describe a desktop experiment that illustrates the effect. Though our model phage is a million times larger, it exhibits the same scaling observed in single molecule experiments.

  7. Diagnosis of Photochemical Ozone Production Rates and Limiting Factors based on Observation-based Modeling Approach over East Asia: Impact of Radical Chemistry Mechanism and Ozone-Control Implications

    NASA Astrophysics Data System (ADS)

    Kanaya, Y.

    2015-12-01

    Growth of tropospheric ozone, causing health and climate impacts, is concerned over East Asia, because emissions of precursors have dramatically increased. Photochemical production rates of ozone and limiting factors, primarily studied for urban locations, have been poorly assessed within a perspective of regional-scale air pollution over East Asia. We performed comprehensive observations of ozone precursors at several locations with regional representativeness and made such assessment based on the observation-based modeling approach. Here, diagnosis at Fukue Island (32.75°N, 128.68°E) remotely located in western Japan (May 2009) is highlighted, where the highest 10% of hourly ozone concentrations reached 72‒118 ppb during May influenced by Asian continental outflow. The average in-situ ozone production rate was estimated to be 6.8 ppb per day, suggesting that in-travel production was still active, while larger buildup must have occurred beforehand. Information on the chemical status of the air mass arriving in Japan is important, because it affects how further ozone production occurs after precursor addition from Japanese domestic emissions. The main limiting factor of ozone production was usually NOx, suggesting that domestic NOx emission control is important in reducing further ozone production and the incidence of warning issuance (>120 ppb). VOCs also increased the ozone production rate, and occasionally (14% of time) became dominant. This analysis implies that the VOC reduction legislation recently enacted should be effective. The uncertainty in the radical chemistry mechanism governing ozone production had a non-negligible impact, but the main conclusion relevant to policy was not altered. When chain termination was augmented by HO2-H2O + NO/NO2 reactions and by heterogeneous loss of HO2 on aerosol particle surfaces, the daily ozone production rate decreased by <24%, and the fraction of hours when the VOC-limited condition occurred varied from 14% to 13

  8. Fluid mechanical model of the Helmholtz resonator

    NASA Technical Reports Server (NTRS)

    Hersh, A. S.; Walker, B.

    1977-01-01

    A semi-empirical fluid mechanical model of the acoustic behavior of Helmholtz resonators is presented which predicts impedance as a function of the amplitude and frequency of the incident sound pressure field and resonator geometry. The model assumes that the particle velocity approaches the orifice in a spherical manner. The incident and cavity sound fields are connected by solving the governing oscillating mass and momentum conservation equations. The model is in agreement with the Rayleigh slug-mass model at low values of incident sound pressure level. At high values, resistance is predicted to be independent of frequency, proportional to the square root of the amplitude of the incident sound pressure field, and virtually independent of resonator geometry. Reactance is predicted to depend in a very complicated way upon resonator geometry, incident sound pressure level, and frequency. Nondimensional parameters are defined that divide resonator impedance into three categories corresponding to low, moderately low, and intense incident sound pressure amplitudes. The two-microphone method was used to measure the impedance of a variety of resonators. The data were used to refine and verify the model.

  9. A predictive model for artificial mechanical cochlea

    NASA Astrophysics Data System (ADS)

    Ahmed, Riaz U.; Adiba, Afifa; Banerjee, Sourav

    2015-03-01

    To recover the hearing deficiency, cochlea implantation is essential if the inner ear is damaged. Existing implantable cochlea is an electronic device, usually placed outside the ear to receive sound from environment, convert into electric impulses and send to auditory nerve bypassing the damaged cochlea. However, due to growing demand researchers are interested in fabricating artificial mechanical cochlea to overcome the limitations of electronic cochlea. Only a hand full number of research have been published in last couple of years showing fabrication of basilar membrane mimicking the cochlear operations. Basilar membrane plays the most important role in a human cochlea by responding only on sonic frequencies using its varying material properties from basal to apical end. Only few sonic frequencies have been sensed with the proposed models; however no process was discussed on how the frequency selectivity of the models can be improved to sense the entire sonic frequency range. Thus, we argue that a predictive model is the missing-link and is the utmost necessity. Hence, in this study, we intend to develop a multi-scale predictive model for basilar membrane such that sensing potential of the artificial cochlea can be designed and tuned predictively by altering the model parameters.

  10. Model Based Definition

    NASA Technical Reports Server (NTRS)

    Rowe, Sidney E.

    2010-01-01

    In September 2007, the Engineering Directorate at the Marshall Space Flight Center (MSFC) created the Design System Focus Team (DSFT). MSFC was responsible for the in-house design and development of the Ares 1 Upper Stage and the Engineering Directorate was preparing to deploy a new electronic Configuration Management and Data Management System with the Design Data Management System (DDMS) based upon a Commercial Off The Shelf (COTS) Product Data Management (PDM) System. The DSFT was to establish standardized CAD practices and a new data life cycle for design data. Of special interest here, the design teams were to implement Model Based Definition (MBD) in support of the Upper Stage manufacturing contract. It is noted that this MBD does use partially dimensioned drawings for auxiliary information to the model. The design data lifecycle implemented several new release states to be used prior to formal release that allowed the models to move through a flow of progressive maturity. The DSFT identified some 17 Lessons Learned as outcomes of the standards development, pathfinder deployments and initial application to the Upper Stage design completion. Some of the high value examples are reviewed.

  11. Sample - Based Material Structure Modeling

    NASA Astrophysics Data System (ADS)

    Liu, Xingchen

    The paradigm of Sample-based Material Structure Modeling is proposed to facilitate the design and manufacturing of material structures towards desired mechanical properties. By modeling material structure samples via a Markov random field, the proposed paradigm views material structure as a collection of neighborhoods. The abstraction facilitates the reconstruction of both periodic and stochastic material structures and extends to the reconstruction and design of spatially varying material structures, a principal mechanism for creating and controlling spatially varying material properties in nature and engineering. The spatially varying material properties are represented and controlled using the notion of material descriptors which include common geometric, statistical, and topological measures such as correlation functions and Minkowski functionals. The proposed method is of particular advantage in preserving the microscopic geometry and related properties of the material structure sample while achieving target macroscopic property distributions during the design of material structures. For material structures that exhibit anisotropy, properly oriented neighborhoods could greatly enhance the efficiency of the material. The expansion of the design space to include the rotation of neighborhoods is appropriate when the properties that need to be preserved can be safely regarded as rotation invariant. With the assumption of orthotropic symmetry, an automatic way to determine the principal axes of neighborhoods for material structure samples with stochastic orientations is proposed. A Green's function based homogenization method is investigated for the efficient evaluation of the mechanical properties of neighborhoods. The formulated integral equation is converted into a system of linear equations which is shown to be symmetric and positive definite with the appropriate reference material properties and can be solved efficiently using the conjugate gradient method

  12. Influence of Cremophor EL and genetic polymorphisms on the pharmacokinetics of paclitaxel and its metabolites using a mechanism-based model.

    PubMed

    Fransson, Martin N; Gréen, Henrik; Litton, Jan-Eric; Friberg, Lena E

    2011-02-01

    The formulation vehicle Cremophor EL has previously been shown to affect paclitaxel kinetics, but it is not known whether it also affects the kinetics of paclitaxel metabolites. This information may be important for understanding paclitaxel metabolism in vivo and in the investigation of the role of genetic polymorphisms in the metabolizing enzymes CYP2C8 and CYP3A4/CYP3A5 and the ABCB1 transporter. In this study we used the population pharmacokinetic approach to explore the influence of predicted Cremophor EL concentrations on paclitaxel (Taxol) metabolites. In addition, correlations between genetic polymorphisms and enzyme activity with clearance of paclitaxel, its two primary metabolites, 6α-hydroxypaclitaxel and p-3'-hydroxypaclitaxel, and its secondary metabolite, 6α-p-3'-dihydroxypaclitaxel were investigated. Model building was based on 1156 samples from a study with 33 women undergoing paclitaxel treatment for gynecological cancer. Total concentrations of paclitaxel were fitted to a model described previously. One-compartment models characterized unbound metabolite concentrations. Total concentrations of 6α-hydroxypaclitaxel and p-3'-hydroxypaclitaxel were strongly dependent on predicted Cremophor EL concentrations, but this association was not found for 6α-p-3'-dihydroxypaclitaxel. Clearance of 6α-hydroxypaclitaxel (fraction metabolized) was significantly correlated (p < 0.05) to the ABCB1 allele G2677T/A. Individuals carrying the polymorphisms G/A (n = 3) or G/G (n = 5) showed a 30% increase, whereas individuals with polymorphism T/T (n = 8) showed a 27% decrease relative to those with the polymorphism G/T (n = 17). The correlation of G2677T/A with 6α-hydroxypaclitaxel has not been described previously but supports other findings of the ABCB1 transporter playing a part in paclitaxel metabolism.

  13. Modeling the decomposition mechanism of artemisinin.

    PubMed

    Moles, Pamela; Oliva, Mónica; Safont, Vicent S

    2006-06-08

    A theoretical study on artemisinin decomposition mechanisms is reported. The calculations have been done at the HF/3-21G and B3LYP/6-31G(d,p) theoretical levels, by using 6,7,8-trioxybicyclo[3.2.2]nonane as the molecular model for artemisinin, and a hydrogen atom, modeling the single electron transfer from heme or Fe(II) in the highly acidic parasite's food vacuole, as inductor of the initial peroxide bond cleavage. All relevant stationary points have been characterized, and the appearance of the final products can be explained in a satisfactory way. Several intermediates and radicals have been found as relatively stable species, thus giving support to the current hypothesis that some of these species can be responsible for the antimalarial action of artemisinin and its derivatives.

  14. Statistical Mechanical Models of Integer Factorization Problem

    NASA Astrophysics Data System (ADS)

    Nakajima, Chihiro H.; Ohzeki, Masayuki

    2017-01-01

    We formulate the integer factorization problem via a formulation of the searching problem for the ground state of a statistical mechanical Hamiltonian. The first passage time required to find a correct divisor of a composite number signifies the exponential computational hardness. The analysis of the density of states of two macroscopic quantities, i.e., the energy and the Hamming distance from the correct solutions, leads to the conclusion that the ground state (correct solution) is completely isolated from the other low-energy states, with the distance being proportional to the system size. In addition, the profile of the microcanonical entropy of the model has two peculiar features that are each related to two marked changes in the energy region sampled via Monte Carlo simulation or simulated annealing. Hence, we find a peculiar first-order phase transition in our model.

  15. Architecture-Based Multiscale Computational Modeling of Plant Cell Wall Mechanics to Examine the Hydrogen-Bonding Hypothesis of the Cell Wall Network Structure Model1[C][OA

    PubMed Central

    Yi, Hojae; Puri, Virendra M.

    2012-01-01

    A primary plant cell wall network was computationally modeled using the finite element approach to study the hypothesis of hemicellulose (HC) tethering with the cellulose microfibrils (CMFs) as one of the major load-bearing mechanisms of the growing cell wall. A computational primary cell wall network fragment (10 × 10 μm) comprising typical compositions and properties of CMFs and HC was modeled with well-aligned CMFs. The tethering of HC to CMFs is modeled in accordance with the strength of the hydrogen bonding by implementing a specific load-bearing connection (i.e. the joint element). The introduction of the CMF-HC interaction to the computational cell wall network model is a key to the quantitative examination of the mechanical consequences of cell wall structure models, including the tethering HC model. When the cell wall network models with and without joint elements were compared, the hydrogen bond exhibited a significant contribution to the overall stiffness of the cell wall network fragment. When the cell wall network model was stretched 1% in the transverse direction, the tethering of CMF-HC via hydrogen bonds was not strong enough to maintain its integrity. When the cell wall network model was stretched 1% in the longitudinal direction, the tethering provided comparable strength to maintain its integrity. This substantial anisotropy suggests that the HC tethering with hydrogen bonds alone does not manifest sufficient energy to maintain the integrity of the cell wall during its growth (i.e. other mechanisms are present to ensure the cell wall shape). PMID:22926320

  16. A mechanical model of retinal detachment

    NASA Astrophysics Data System (ADS)

    Chou, Tom; Siegel, Michael

    2012-08-01

    We present a model of the mechanical and fluid forces associated with exudative retinal detachments where the retinal photoreceptor cells separate, typically from the underlying retinal pigment epithelium (RPE). By computing the total fluid volume flow arising from transretinal, vascular and RPE pump currents, we determine the conditions under which the subretinal fluid pressure exceeds the maximum yield stress holding the retina and RPE together, giving rise to an irreversible, extended retinal delamination. We also investigate localized, blister-like retinal detachments by balancing mechanical tension in the retina with both the retina-RPE adhesion energy and the hydraulic pressure jump across the retina. For detachments induced by traction forces, we find a critical radius beyond which the blister is unstable to growth. Growth of a detached blister can also be driven by inflamed lesions in which the tissue has a higher choroidal hydraulic conductivity, has insufficient RPE pump activity, or has defective adhesion bonds. We determine the parameter regimes in which the blister either becomes unstable to growth, remains stable and finite-sized, or shrinks, allowing possible healing. The corresponding stable blister radius and shape are calculated. Our analysis provides a quantitative description of the physical mechanisms involved in exudative retinal detachments and can help guide the development of retinal reattachment protocols or preventative procedures.

  17. Melanoma Brain Metastasis: Mechanisms, Models, and Medicine.

    PubMed

    Kircher, David A; Silvis, Mark R; Cho, Joseph H; Holmen, Sheri L

    2016-09-02

    The development of brain metastases in patients with advanced stage melanoma is common, but the molecular mechanisms responsible for their development are poorly understood. Melanoma brain metastases cause significant morbidity and mortality and confer a poor prognosis; traditional therapies including whole brain radiation, stereotactic radiotherapy, or chemotherapy yield only modest increases in overall survival (OS) for these patients. While recently approved therapies have significantly improved OS in melanoma patients, only a small number of studies have investigated their efficacy in patients with brain metastases. Preliminary data suggest that some responses have been observed in intracranial lesions, which has sparked new clinical trials designed to evaluate the efficacy in melanoma patients with brain metastases. Simultaneously, recent advances in our understanding of the mechanisms of melanoma cell dissemination to the brain have revealed novel and potentially therapeutic targets. In this review, we provide an overview of newly discovered mechanisms of melanoma spread to the brain, discuss preclinical models that are being used to further our understanding of this deadly disease and provide an update of the current clinical trials for melanoma patients with brain metastases.

  18. New Models of Mechanisms for the Motion Transformation

    NASA Astrophysics Data System (ADS)

    Petrović, Tomislav; Ivanov, Ivan

    In this paper two new mechanisms for the motion transformations are presented: screw mechanism for the transformation of one-way circular into two-way linear motion with impulse control and worm-planetary gear train with extremely height gear ratio. Both mechanisms represent new models of construction solutions for which patent protection has been achieved. These mechanisms are based on the application of the differential gearbox with two degrees of freedom. They are characterized by series of kinematic impacts at motion transformation and the possibility of temporary or permanent changes in the structure by subtracting the redundant degree of freedom. Thus the desired characteristic of the motion transformation is achieved. For each mechanism separately the principles of motion and transformation are described and the basic equations that describe the interdependence of geometric and kinematic and kinetic parameters of the system dynamics are given. The basic principles of controlling new mechanisms for motion transformation have been pointed to and the basic constructional performances which may find practical application have been given. The physical models of new systems of motion transformation have been designed and their operation has been presented. Performed experimental researches confirmed the theoretical results and very favorable kinematic characteristics of the mechanisms.

  19. Mechanism of Actin-Based Motility

    NASA Astrophysics Data System (ADS)

    Pantaloni, Dominique; Le Clainche, Christophe; Carlier, Marie-France

    2001-05-01

    Spatially controlled polymerization of actin is at the origin of cell motility and is responsible for the formation of cellular protrusions like lamellipodia. The pathogens Listeria monocytogenes and Shigella flexneri, which undergo actin-based propulsion, are acknowledged models of the leading edge of lamellipodia. Actin-based motility of the bacteria or of functionalized microspheres can be reconstituted in vitro from only five pure proteins. Movement results from the regulated site-directed treadmilling of actin filaments, consistent with observations of actin dynamics in living motile cells and with the biochemical properties of the components of the synthetic motility medium.

  20. Investigation of mechanism of bone regeneration in a porous biodegradable calcium phosphate (CaP) scaffold by a combination of a multi-scale agent-based model and experimental optimization/validation.

    PubMed

    Zhang, Le; Qiao, Minna; Gao, Hongjie; Hu, Bin; Tan, Hua; Zhou, Xiaobo; Li, Chang Ming

    2016-08-21

    Herein, we have developed a novel approach to investigate the mechanism of bone regeneration in a porous biodegradable calcium phosphate (CaP) scaffold by a combination of a multi-scale agent-based model, experimental optimization of key parameters and experimental data validation of the predictive power of the model. The advantages of this study are that the impact of mechanical stimulation on bone regeneration in a porous biodegradable CaP scaffold is considered, experimental design is used to investigate the optimal combination of growth factors loaded on the porous biodegradable CaP scaffold to promote bone regeneration and the training, testing and analysis of the model are carried out by using experimental data, a data-mining algorithm and related sensitivity analysis. The results reveal that mechanical stimulation has a great impact on bone regeneration in a porous biodegradable CaP scaffold and the optimal combination of growth factors that are encapsulated in nanospheres and loaded into porous biodegradable CaP scaffolds layer-by-layer can effectively promote bone regeneration. Furthermore, the model is robust and able to predict the development of bone regeneration under specified conditions.

  1. Investigation of mechanism of bone regeneration in a porous biodegradable calcium phosphate (CaP) scaffold by a combination of a multi-scale agent-based model and experimental optimization/validation

    NASA Astrophysics Data System (ADS)

    Zhang, Le; Qiao, Minna; Gao, Hongjie; Hu, Bin; Tan, Hua; Zhou, Xiaobo; Li, Chang Ming

    2016-08-01

    Herein, we have developed a novel approach to investigate the mechanism of bone regeneration in a porous biodegradable calcium phosphate (CaP) scaffold by a combination of a multi-scale agent-based model, experimental optimization of key parameters and experimental data validation of the predictive power of the model. The advantages of this study are that the impact of mechanical stimulation on bone regeneration in a porous biodegradable CaP scaffold is considered, experimental design is used to investigate the optimal combination of growth factors loaded on the porous biodegradable CaP scaffold to promote bone regeneration and the training, testing and analysis of the model are carried out by using experimental data, a data-mining algorithm and related sensitivity analysis. The results reveal that mechanical stimulation has a great impact on bone regeneration in a porous biodegradable CaP scaffold and the optimal combination of growth factors that are encapsulated in nanospheres and loaded into porous biodegradable CaP scaffolds layer-by-layer can effectively promote bone regeneration. Furthermore, the model is robust and able to predict the development of bone regeneration under specified conditions.

  2. Cooling of burns: Mechanisms and models.

    PubMed

    Wright, E H; Harris, A L; Furniss, D

    2015-08-01

    The role of cooling in the acute management of burns is widely accepted in clinical practice, and is a cornerstone of basic first aid in burns. This has been underlined in a number of animal models. The mechanism by which it delivers its benefit is poorly understood, but there is a reduction in burns progression over the first 48 h, reduced healing time, and some subjective improvements in scarring when cooling is administered after burning. Intradermal temperature normalises within a matter of seconds to a few minutes, yet the benefits of even delayed cooling persist, implying it is not simply the removal of thermal energy from the damaged tissues. Animal models have used oedema formation, preservation of dermal perfusion, healing time and hair retention as indicators of burns severity, and have shown cooling to improve these indices, but pharmacological or immunological blockade of humoural and cellular mediators of inflammation did not reproduce the benefit of cooling. More recently, some studies of tissue from human and animal burns have shown consistent, reproducible, temporal changes in gene expression in burned tissues. Here, we review the experimental evidence of the role and mechanism of cooling in burns management, and suggest future research directions that may eventually lead to improved treatment outcomes. Copyright © 2015. Published by Elsevier Ltd.

  3. Mathematical model I. Electron and quantum mechanics

    NASA Astrophysics Data System (ADS)

    Gadre, Nitin Ramchandra

    2011-03-01

    The basic particle electron obeys various theories like electrodynamics, quantum mechanics and special relativity. Particle under different experimental conditions behaves differently, allowing us to observe different characteristics which become basis for these theories. In this paper, we have made an attempt to suggest a classical picture by studying the requirements of these three modern theories. The basic presumption is: There must be certain structural characteristics in a particle like electron which make it obey postulates of modern theories. As it is `difficult' to find structure of electron experimentally, we make a mathematical attempt. For a classical approach, we require well defined systems and we have studied a system with two charged particles, proton and electron in a hydrogen atom. An attempt has been made to give a model to describe electron as seen by the proton. We then discuss how the model can satisfy the requirements of the three modern theories in a classical manner. The paper discusses basic aspects of relativity and electrodynamics. However the focus of the paper is on quantum mechanics.

  4. Instability-based mechanism for body undulations in centipede locomotion.

    PubMed

    Aoi, Shinya; Egi, Yoshimasa; Tsuchiya, Kazuo

    2013-01-01

    Centipedes have many body segments and legs and they generate body undulations during terrestrial locomotion. Centipede locomotion has the characteristic that body undulations are absent at low speeds but appear at faster speeds; furthermore, their amplitude and wavelength increase with increasing speed. There are conflicting reports regarding whether the muscles along the body axis resist or support these body undulations and the underlying mechanisms responsible for the body undulations remain largely unclear. In the present study, we investigated centipede locomotion dynamics using computer simulation with a body-mechanical model and experiment with a centipede-like robot and then conducted dynamic analysis with a simple model to clarify the mechanism. The results reveal that body undulations in these models occur due to an instability caused by a supercritical Hopf bifurcation. We subsequently compared these results with data obtained using actual centipedes. The model and actual centipedes exhibit similar dynamic properties, despite centipedes being complex, nonlinear dynamic systems. Based on our findings, we propose a possible passive mechanism for body undulations in centipedes, similar to a follower force or jackknife instability. We also discuss the roles of the muscles along the body axis in generating body undulations in terms of our physical model.

  5. Instability-based mechanism for body undulations in centipede locomotion

    NASA Astrophysics Data System (ADS)

    Aoi, Shinya; Egi, Yoshimasa; Tsuchiya, Kazuo

    2013-01-01

    Centipedes have many body segments and legs and they generate body undulations during terrestrial locomotion. Centipede locomotion has the characteristic that body undulations are absent at low speeds but appear at faster speeds; furthermore, their amplitude and wavelength increase with increasing speed. There are conflicting reports regarding whether the muscles along the body axis resist or support these body undulations and the underlying mechanisms responsible for the body undulations remain largely unclear. In the present study, we investigated centipede locomotion dynamics using computer simulation with a body-mechanical model and experiment with a centipede-like robot and then conducted dynamic analysis with a simple model to clarify the mechanism. The results reveal that body undulations in these models occur due to an instability caused by a supercritical Hopf bifurcation. We subsequently compared these results with data obtained using actual centipedes. The model and actual centipedes exhibit similar dynamic properties, despite centipedes being complex, nonlinear dynamic systems. Based on our findings, we propose a possible passive mechanism for body undulations in centipedes, similar to a follower force or jackknife instability. We also discuss the roles of the muscles along the body axis in generating body undulations in terms of our physical model.

  6. A statistical mechanical model for inverse melting

    NASA Astrophysics Data System (ADS)

    Feeney, Melissa R.; Debenedetti, Pablo G.; Stillinger, Frank H.

    2003-08-01

    Inverse melting is the situation in which a liquid freezes when it is heated isobarically. Both helium isotopes exhibit intervals of inverse melting at low temperature, and published data suggests that isotactic poly (4-methylpentene-1) also displays this unusual phase behavior. Here we propose a statistical mechanical model for inverse melting. It is a decorated modification of the Gaussian core model, in which particles possess a spectrum of thermally activated internal states. Excitation leads to a change in a particle's Gaussian interaction parameters, and this can result in a spatially periodic crystal possessing a higher entropy than the fluid with which it coexists. Numerical solution of the model, using integral equations and the hypernetted chain closure for the fluid phase, and the Einstein model for the solid phases, identifies two types of inverse melting. One mimics the behavior of the helium isotopes, for which the higher-entropy crystal is denser than the liquid. The other corresponds to inverse melting in poly(4-methylpentene-1), where the high-entropy crystal is less dense than the liquid with which it coexists.

  7. Models on the boundary between classical and quantum mechanics.

    PubMed

    Hooft, Gerard 't

    2015-08-06

    Arguments that quantum mechanics cannot be explained in terms of any classical theory using only classical logic seem to be based on sound mathematical considerations: there cannot be physical laws that require 'conspiracy'. It may therefore be surprising that there are several explicit quantum systems where these considerations apparently do not apply. In this report, several such counterexamples are shown. These are quantum models that do have a classical origin. The most curious of these models is superstring theory. So now the question is asked: how can such a model feature 'conspiracy', and how bad is that? Is there conspiracy in the vacuum fluctuations? Arguments concerning Bell's theorem are further sharpened.

  8. Reverse engineering systems models of regulation: discovery, prediction and mechanisms.

    PubMed

    Ashworth, Justin; Wurtmann, Elisabeth J; Baliga, Nitin S

    2012-08-01

    Biological systems can now be understood in comprehensive and quantitative detail using systems biology approaches. Putative genome-scale models can be built rapidly based upon biological inventories and strategic system-wide molecular measurements. Current models combine statistical associations, causative abstractions, and known molecular mechanisms to explain and predict quantitative and complex phenotypes. This top-down 'reverse engineering' approach generates useful organism-scale models despite noise and incompleteness in data and knowledge. Here we review and discuss the reverse engineering of biological systems using top-down data-driven approaches, in order to improve discovery, hypothesis generation, and the inference of biological properties.

  9. Mechanical contact by constraints and split-based preconditioning

    SciTech Connect

    Dmitry Karpeyev; Derek Gaston; Jason Hales; Steven Novascone

    2014-03-01

    An accurate implementation of glued mechanical contact was developed in MOOSE based on its Constraint system. This approach results in a superior convergence of elastic structure problems, in particular in BISON. Adaptation of this technique to frictionless and frictional contact models is under way. Additionally, the improved convergence of elastic problems results from the application of the split-based preconditioners to constraint-based systems. This yields a substantial increase in the robustness of elastic solvers when the number of nodes in contact is increased and/or the mesh is refined.

  10. Systematic development of reduced reaction mechanisms for dynamic modeling

    NASA Technical Reports Server (NTRS)

    Frenklach, M.; Kailasanath, K.; Oran, E. S.

    1986-01-01

    A method for systematically developing a reduced chemical reaction mechanism for dynamic modeling of chemically reactive flows is presented. The method is based on the postulate that if a reduced reaction mechanism faithfully describes the time evolution of both thermal and chain reaction processes characteristic of a more complete mechanism, then the reduced mechanism will describe the chemical processes in a chemically reacting flow with approximately the same degree of accuracy. Here this postulate is tested by producing a series of mechanisms of reduced accuracy, which are derived from a full detailed mechanism for methane-oxygen combustion. These mechanisms were then tested in a series of reactive flow calculations in which a large-amplitude sinusoidal perturbation is applied to a system that is initially quiescent and whose temperature is high enough to start ignition processes. Comparison of the results for systems with and without convective flow show that this approach produces reduced mechanisms that are useful for calculations of explosions and detonations. Extensions and applicability to flames are discussed.

  11. A Hydro-mechanical Model and Analytical Solutions for Geomechanical Modeling of Carbon Dioxide Geological Sequestration

    SciTech Connect

    Xu, Zhijie; Fang, Yilin; Scheibe, Timothy D.; Bonneville, Alain

    2012-05-15

    We present a hydro-mechanical model for geological sequestration of carbon dioxide. The model considers the poroelastic effects by taking into account the coupling between the geomechanical response and the fluid flow in greater detail. The simplified hydro-mechanical model includes the geomechanical part that relies on the linear elasticity, while the fluid flow is based on the Darcy’s law. Two parts were coupled using the standard linear poroelasticity. Analytical solutions for pressure field were obtained for a typical geological sequestration scenario. The model predicts the temporal and spatial variation of pressure field and effects of permeability and elastic modulus of formation on the fluid pressure distribution.

  12. Semi-classical modeling of nano-mechanical transistors

    NASA Astrophysics Data System (ADS)

    Scorrano, Alessandro; Carcaterra, Antonio

    2013-08-01

    The introduction of vibration-based Nano Electro-Mechanical Transistors (NEMT) opens a new horizon for mechanics in computer science. NEMT working principle is based on an electrical charge shuttle between two electrodes operated by a vibrating conductor body. Advantages of these novel devices would be very low power dissipation, limited influence of external electromagnetic disturbances, and improved thermal resistance. The paper introduces an analytical model for such a device, in which the matching of a mechanical resonator and an electric circuit is studied: the coupling is provided by capacitance effects, electrostatic force and the quantum tunneling. The approach is quasi-classical, describing the quantum phenomena through a non-linear conductance and using a continuous variable for the charges. Through suitably introduced simplifications, the model is reduced to a set of two differential equations in terms of pillar position and charge. These equations represent the simplest model still preserving the basic phenomenology of the investigated system. Numerical simulations show different possible motion regimes, both in the single- and multiple-module configurations, the latter able to reproduce the conventional transistor functionality. This opens the way to mechanical voltage-driven switches or amplifiers.

  13. Passive ventricular mechanics modelling using MRI of structure and function.

    PubMed

    Wang, V Y; Lam, H I; Ennis, D B; Young, A A; Nash, M P

    2008-01-01

    Patients suffering from dilated cardiomyopathy or myocardial infarction can develop left ventricular (LV) diastolic impairment. The LV remodels its structure and function to adapt to pathophysiological changes in geometry and loading conditions and this remodeling process can alter the passive ventricular mechanics. In order to better understand passive ventricular mechanics, a LV finite element model was developed to incorporate physiological and mechanical information derived from in vivo magnetic resonance imaging (MRI) tissue tagging, in vivo LV cavity pressure recording and ex vivo diffusion tensor MRI (DTMRI) of a canine heart. MRI tissue tagging enables quantitative evaluation of cardiac mechanical function with high spatial and temporal resolution, whilst the direction of maximum water diffusion (the primary eigenvector) in each voxel of a DTMRI directly correlates with the myocardial fibre orientation. This model was customized to the geometry of the canine LV during diastasis by fitting the segmented epicardial and endocardial surface data from tagged MRI using nonlinear finite element fitting techniques. Myofibre orientations, extracted from DTMRI of the same heart, were incorporated into this geometric model using a free form deformation methodology. Pressure recordings, temporally synchronized to the tissue tagging MRI data, were used to simulate the LV deformation during diastole. Simulation of the diastolic LV mechanics allowed us to estimate the stiffness of the passive LV myocardium based on kinematic data obtained from tagged MRI. This integrated physiological model will allow more insight into the regional passive diastolic mechanics of the LV on an individualized basis, thereby improving our understanding of the underlying structural basis of mechanical dysfunction in pathological conditions.

  14. Particle-based methods for multiscale modeling of blood flow in the circulation and in devices: challenges and future directions. Sixth International Bio-Fluid Mechanics Symposium and Workshop March 28-30, 2008 Pasadena, California.

    PubMed

    Yamaguchi, Takami; Ishikawa, Takuji; Imai, Y; Matsuki, N; Xenos, Mikhail; Deng, Yuefan; Bluestein, Danny

    2010-03-01

    A major computational challenge for a multiscale modeling is the coupling of disparate length and timescales between molecular mechanics and macroscopic transport, spanning the spatial and temporal scales characterizing the complex processes taking place in flow-induced blood clotting. Flow and pressure effects on a cell-like platelet can be well represented by a continuum mechanics model down to the order of the micrometer level. However, the molecular effects of adhesion/aggregation bonds are on the order of nanometer. A successful multiscale model of platelet response to flow stresses in devices and the ensuing clotting responses should be able to characterize the clotting reactions and their interactions with the flow. This paper attempts to describe a few of the computational methods that were developed in recent years and became available to researchers in the field. They differ from traditional approaches that dominate the field by expanding on prevailing continuum-based approaches, or by completely departing from them, yielding an expanding toolkit that may facilitate further elucidation of the underlying mechanisms of blood flow and the cellular response to it. We offer a paradigm shift by adopting a multidisciplinary approach with fluid dynamics simulations coupled to biophysical and biochemical transport.

  15. The mechanical behavior of a mammalian lung alveolar duct model.

    PubMed

    Denny, E; Schroter, R C

    1995-08-01

    A model for the mechanical properties of an alveolar duct is analyzed using the finite element method. Its geometry comprises an assemblage of truncated octahedral alveoli surrounding a longitudinal air duct. The amounts and distributions of elastin and collagen fiber bundles, modeled by separate stress-strain laws, are based upon published data for dogs. The surface tension of the air-liquid interface is modeled using an area-dependent relationship. Pressure-volume curves are computed that compare well with experimental data for both saline-filled and air-filled lungs. Pressure-volume curves of the separate elastin and collagen fiber contributions are similar in form to the behavior of saline-filled lungs treated with either elastase or collagenase. A comparison with our earlier model, based upon a single alveolus, shows the duct to have a behavior closer to reported experimental data.

  16. Coupled Thermal-Chemical-Mechanical Modeling of Validation Cookoff Experiments

    SciTech Connect

    ERIKSON,WILLIAM W.; SCHMITT,ROBERT G.; ATWOOD,A.I.; CURRAN,P.D.

    2000-11-27

    The cookoff of energetic materials involves the combined effects of several physical and chemical processes. These processes include heat transfer, chemical decomposition, and mechanical response. The interaction and coupling between these processes influence both the time-to-event and the violence of reaction. The prediction of the behavior of explosives during cookoff, particularly with respect to reaction violence, is a challenging task. To this end, a joint DoD/DOE program has been initiated to develop models for cookoff, and to perform experiments to validate those models. In this paper, a series of cookoff analyses are presented and compared with data from a number of experiments for the aluminized, RDX-based, Navy explosive PBXN-109. The traditional thermal-chemical analysis is used to calculate time-to-event and characterize the heat transfer and boundary conditions. A reaction mechanism based on Tarver and McGuire's work on RDX{sup 2} was adjusted to match the spherical one-dimensional time-to-explosion data. The predicted time-to-event using this reaction mechanism compares favorably with the validation tests. Coupled thermal-chemical-mechanical analysis is used to calculate the mechanical response of the confinement and the energetic material state prior to ignition. The predicted state of the material includes the temperature, stress-field, porosity, and extent of reaction. There is little experimental data for comparison to these calculations. The hoop strain in the confining steel tube gives an estimation of the radial stress in the explosive. The inferred pressure from the measured hoop strain and calculated radial stress agree qualitatively. However, validation of the mechanical response model and the chemical reaction mechanism requires more data. A post-ignition burn dynamics model was applied to calculate the confinement dynamics. The burn dynamics calculations suffer from a lack of characterization of the confinement for the flaw

  17. Damage Mechanics in the Community Ice Sheet Model

    NASA Astrophysics Data System (ADS)

    Whitcomb, R.; Cathles, L. M. M., IV; Bassis, J. N.; Lipscomb, W. H.; Price, S. F.

    2016-12-01

    Half of the mass that floating ice shelves lose to the ocean comes from iceberg calving, which is a difficult process to simulate accurately. This is especially true in the large-scale ice dynamics models that couple changes in the cryosphere to climate projections. Damage mechanics provide a powerful technique with the potential to overcome this obstacle by describing how fractures in ice evolve over time. Here, we demonstrate the application of a damage model to ice shelves that predicts realistic geometries. We incorporated this solver into the Community Ice Sheet Model, a three dimensional ice sheet model developed at Los Alamos National Laboratory. The damage mechanics formulation that we use comes from a first principles-based evolution law for the depth of basal and surface crevasses and depends on the large scale strain rate, stress state, and basal melt. We show that under idealized conditions it produces ice tongue lengths that match well with observations for a selection of natural ice tongues, including Erebus, Drygalski, and Pine Island in Antarctica, as well as Petermann in Greenland. We also apply the model to more generalized ideal ice shelf geometries and show that it produces realistic calving front positions. Although our results are preliminary, the damage mechanics model that we developed provides a promising first principles method for predicting ice shelf extent and how the calving margins of ice shelves respond to climate change.

  18. Modeling the effects of particle deformation in chemical mechanical polishing

    NASA Astrophysics Data System (ADS)

    Chen, Xiaochun; Zhao, Yongwu; Wang, Yongguang

    2012-09-01

    In a chemical mechanical polishing (CMP) process, an active abrasive particle participating in the wear process will contact the pad and the wafer at the same time. The applied polishing load causes the deformation of the pad in the contact interface of the particle and the pad, and the deformation of the wafer in the contact interface of the particle and the wafer. Besides, this force causes the deformation of the abrasive particle. Based on the elastic-plastic micro-contact mechanics and abrasive wear theory, a novel model for material removal rate (MRR) with consideration of the abrasive particle deformation is presented in this paper. The deformation of the abrasive particle, affecting the indentation depth of the particle into the wafer, is quantitatively incorporated into the model. The results and analyses show that the present model is in good agreement with the experimental data.

  19. Seismic metamaterials based on isochronous mechanical oscillators

    SciTech Connect

    Finocchio, G. Garescì, F.; Azzerboni, B.; Casablanca, O.; Chiappini, M.; Ricciardi, G.; Alibrandi, U.

    2014-05-12

    This Letter introduces a seismic metamaterial (SM) composed by a chain of mass-in-mass system able to filter the S-waves of an earthquake. We included the effect of the SM into the mono dimensional model for the soil response analysis. The SM modifies the soil behavior and in presence of an internal damping the amplitude of the soil amplification function is reduced also in a region near the resonance frequency. This SM can be realized by a continuous structure with inside a 3d-matrix of isochronous oscillators based on a sphere rolling over a cycloidal trajectory.

  20. A statistical mechanical model of economics

    NASA Astrophysics Data System (ADS)

    Lubbers, Nicholas Edward Williams

    Statistical mechanics pursues low-dimensional descriptions of systems with a very large number of degrees of freedom. I explore this theme in two contexts. The main body of this dissertation explores and extends the Yard Sale Model (YSM) of economic transactions using a combination of simulations and theory. The YSM is a simple interacting model for wealth distributions which has the potential to explain the empirical observation of Pareto distributions of wealth. I develop the link between wealth condensation and the breakdown of ergodicity due to nonlinear diffusion effects which are analogous to the geometric random walk. Using this, I develop a deterministic effective theory of wealth transfer in the YSM that is useful for explaining many quantitative results. I introduce various forms of growth to the model, paying attention to the effect of growth on wealth condensation, inequality, and ergodicity. Arithmetic growth is found to partially break condensation, and geometric growth is found to completely break condensation. Further generalizations of geometric growth with growth in- equality show that the system is divided into two phases by a tipping point in the inequality parameter. The tipping point marks the line between systems which are ergodic and systems which exhibit wealth condensation. I explore generalizations of the YSM transaction scheme to arbitrary betting functions to develop notions of universality in YSM-like models. I find that wealth vi condensation is universal to a large class of models which can be divided into two phases. The first exhibits slow, power-law condensation dynamics, and the second exhibits fast, finite-time condensation dynamics. I find that the YSM, which exhibits exponential dynamics, is the critical, self-similar model which marks the dividing line between the two phases. The final chapter develops a low-dimensional approach to materials microstructure quantification. Modern materials design harnesses complex