WorldWideScience

Sample records for hierarchical multiscale modeling

  1. Coarse-Graining Parameterization and Multiscale Simulation of Hierarchical Systems. Part I: Theory and Model Formulation

    Science.gov (United States)

    2010-01-01

    can also refer to hierarchical parameterization transcending any scale, such as mesoscopic to continuum levels. Such a multiscale modeling paradigm ...particularly suited for systems defined by long-chain polymers with relatively short persistence lengths, or systems that are entropically driven...mechanics. Thus, we introduce a universal framework through a finer-trains-coarser multiscale paradigm , which effectively defines coarse- grain

  2. Hierarchical multiscale modeling for flows in fractured media using generalized multiscale finite element method

    KAUST Repository

    Efendiev, Yalchin R.

    2015-06-05

    In this paper, we develop a multiscale finite element method for solving flows in fractured media. Our approach is based on generalized multiscale finite element method (GMsFEM), where we represent the fracture effects on a coarse grid via multiscale basis functions. These multiscale basis functions are constructed in the offline stage via local spectral problems following GMsFEM. To represent the fractures on the fine grid, we consider two approaches (1) discrete fracture model (DFM) (2) embedded fracture model (EFM) and their combination. In DFM, the fractures are resolved via the fine grid, while in EFM the fracture and the fine grid block interaction is represented as a source term. In the proposed multiscale method, additional multiscale basis functions are used to represent the long fractures, while short-size fractures are collectively represented by a single basis functions. The procedure is automatically done via local spectral problems. In this regard, our approach shares common concepts with several approaches proposed in the literature as we discuss. We would like to emphasize that our goal is not to compare DFM with EFM, but rather to develop GMsFEM framework which uses these (DFM or EFM) fine-grid discretization techniques. Numerical results are presented, where we demonstrate how one can adaptively add basis functions in the regions of interest based on error indicators. We also discuss the use of randomized snapshots (Calo et al. Randomized oversampling for generalized multiscale finite element methods, 2014), which reduces the offline computational cost.

  3. Hierarchical multi-scale modeling of texture induced plastic anisotropy in sheet forming

    OpenAIRE

    Gawad, J.; van Bael, Albert; Eyckens, P.; Samaey, G.; Van Houtte, P.; Roose, D.

    2013-01-01

    In this paper we present a Hierarchical Multi-Scale (HMS) model of coupled evolutions of crystallographic texture and plastic anisotropy in plastic forming of polycrystalline metallic alloys. The model exploits the Finite Element formulation to describe the macroscopic deformation of the material. Anisotropy of the plastic properties is derived from a physics-based polycrystalline plasticity micro-scale model by means of virtual experiments. The homogenized micro-scale stress response given b...

  4. A hierarchical framework for the multiscale modeling of microstructure evolution in heterogeneous materials.

    Energy Technology Data Exchange (ETDEWEB)

    Luscher, Darby J.

    2010-04-01

    All materials are heterogeneous at various scales of observation. The influence of material heterogeneity on nonuniform response and microstructure evolution can have profound impact on continuum thermomechanical response at macroscopic “engineering” scales. In many cases, it is necessary to treat this behavior as a multiscale process thus integrating the physical understanding of material behavior at various physical (length and time) scales in order to more accurately predict the thermomechanical response of materials as their microstructure evolves. The intent of the dissertation is to provide a formal framework for multiscale hierarchical homogenization to be used in developing constitutive models.

  5. A second gradient theoretical framework for hierarchical multiscale modeling of materials

    Energy Technology Data Exchange (ETDEWEB)

    Luscher, Darby J [Los Alamos National Laboratory; Bronkhorst, Curt A [Los Alamos National Laboratory; Mc Dowell, David L [GEORGIA TECH

    2009-01-01

    A theoretical framework for the hierarchical multiscale modeling of inelastic response of heterogeneous materials has been presented. Within this multiscale framework, the second gradient is used as a non local kinematic link between the response of a material point at the coarse scale and the response of a neighborhood of material points at the fine scale. Kinematic consistency between these scales results in specific requirements for constraints on the fluctuation field. The wryness tensor serves as a second-order measure of strain. The nature of the second-order strain induces anti-symmetry in the first order stress at the coarse scale. The multiscale ISV constitutive theory is couched in the coarse scale intermediate configuration, from which an important new concept in scale transitions emerges, namely scale invariance of dissipation. Finally, a strategy for developing meaningful kinematic ISVs and the proper free energy functions and evolution kinetics is presented.

  6. Hierarchical Multiscale Modeling of Macromolecules and their Assemblies.

    Science.gov (United States)

    Ortoleva, P; Singharoy, A; Pankavich, S

    2013-04-28

    Soft materials (e.g., enveloped viruses, liposomes, membranes and supercooled liquids) simultaneously deform or display collective behaviors, while undergoing atomic scale vibrations and collisions. While the multiple space-time character of such systems often makes traditional molecular dynamics simulation impractical, a multiscale approach has been presented that allows for long-time simulation with atomic detail based on the co-evolution of slowly-varying order parameters (OPs) with the quasi-equilibrium probability density of atomic configurations. However, this approach breaks down when the structural change is extreme, or when nearest-neighbor connectivity of atoms is not maintained. In the current study, a self-consistent approach is presented wherein OPs and a reference structure co-evolve slowly to yield long-time simulation for dynamical soft-matter phenomena such as structural transitions and self-assembly. The development begins with the Liouville equation for N classical atoms and an ansatz on the form of the associated N-atom probability density. Multiscale techniques are used to derive Langevin equations for the coupled OP-configurational dynamics. The net result is a set of equations for the coupled stochastic dynamics of the OPs and centers of mass of the subsystems that constitute a soft material body. The theory is based on an all-atom methodology and an interatomic force field, and therefore enables calibration-free simulations of soft matter, such as macromolecular assemblies.

  7. Nonlinear hierarchical multiscale modeling of cortical bone considering its nanoscale microstructure.

    Science.gov (United States)

    Ghanbari, J; Naghdabadi, R

    2009-07-22

    We have used a hierarchical multiscale modeling scheme for the analysis of cortical bone considering it as a nanocomposite. This scheme consists of definition of two boundary value problems, one for macroscale, and another for microscale. The coupling between these scales is done by using the homogenization technique. At every material point in which the constitutive model is needed, a microscale boundary value problem is defined using a macroscopic kinematical quantity and solved. Using the described scheme, we have studied elastic properties of cortical bone considering its nanoscale microstructural constituents with various mineral volume fractions. Since the microstructure of bone consists of mineral platelet with nanometer size embedded in a protein matrix, it is similar to the microstructure of soft matrix nanocomposites reinforced with hard nanostructures. Considering a representative volume element (RVE) of the microstructure of bone as the microscale problem in our hierarchical multiscale modeling scheme, the global behavior of bone is obtained under various macroscopic loading conditions. This scheme may be suitable for modeling arbitrary bone geometries subjected to a variety of loading conditions. Using the presented method, mechanical properties of cortical bone including elastic moduli and Poisson's ratios in two major directions and shear modulus is obtained for different mineral volume fractions.

  8. Friction and adhesion of hierarchical carbon nanotube structures for biomimetic dry adhesives: multiscale modeling.

    Science.gov (United States)

    Hu, Shihao; Jiang, Haodan; Xia, Zhenhai; Gao, Xiaosheng

    2010-09-01

    With unique hierarchical fibrillar structures on their feet, gecko lizards can walk on vertical walls or even ceilings. Recent experiments have shown that strong binding along the shear direction and easy lifting in the normal direction can be achieved by forming unidirectional carbon nanotube array with laterally distributed tips similar to gecko's feet. In this study, a multiscale modeling approach was developed to analyze friction and adhesion behaviors of this hierarchical fibrillar system. Vertically aligned carbon nanotube array with laterally distributed segments at the end was simulated by coarse grained molecular dynamics. The effects of the laterally distributed segments on friction and adhesion strengths were analyzed, and further adopted as cohesive laws used in finite element analysis at device scale. The results show that the laterally distributed segments play an essential role in achieving high force anisotropy between normal and shear directions in the adhesives. Finite element analysis reveals a new friction-enhanced adhesion mechanism of the carbon nanotube array, which also exists in gecko adhesive system. The multiscale modeling provides an approach to bridge the microlevel structures of the carbon nanotube array with its macrolevel adhesive behaviors, and the predictions from this modeling give an insight into the mechanisms of gecko-mimicking dry adhesives.

  9. Identification of constitutive equation in hierarchical multiscale modelling of cup drawing process

    Science.gov (United States)

    Gawad, J.; Van Bael, A.; Eyckens, P.; Samaey, G.; Van Houtte, P.; Roose, D.

    2011-08-01

    In this paper we discuss extensions to a hierarchical multi-scale model (HMS) of cold sheet forming processes. The HMS model is capable of predicting changes in plastic anisotropy due to the evolution of crystallographic textures. The ALAMEL polycrystal plasticity model is employed to predict the texture evolution during the plastic deformation. The same model acts as a multilevel model and provides "virtual experiments" for calibration of an analytical constitutive law. Plastic anisotropy is described by means of the Facet method, which is able to reproduce the plastic potential in the entire strain rate space. The paper presents new strategies for identification of the Facet expression that are focused on improving its accuracy in the parts of the plastic potential surface that are more extensively used by the macroscopic FE model and therefore need to be reproduced more accurately. In this work we also evaluate the applicability of identification methods that (1) rely exclusively on the plastic potential or (2) can take into consideration also the deviatioric stresses derived from the Facet expression. It is shown that both methods provide the Facet expressions that correctly approximate the plastic anisotropy predicted by the multilevel ALAMEL model.

  10. Bayesian Uncertainty Quantification for Subsurface Inversion Using a Multiscale Hierarchical Model

    KAUST Repository

    Mondal, Anirban

    2014-07-03

    We consider a Bayesian approach to nonlinear inverse problems in which the unknown quantity is a random field (spatial or temporal). The Bayesian approach contains a natural mechanism for regularization in the form of prior information, can incorporate information from heterogeneous sources and provide a quantitative assessment of uncertainty in the inverse solution. The Bayesian setting casts the inverse solution as a posterior probability distribution over the model parameters. The Karhunen-Loeve expansion is used for dimension reduction of the random field. Furthermore, we use a hierarchical Bayes model to inject multiscale data in the modeling framework. In this Bayesian framework, we show that this inverse problem is well-posed by proving that the posterior measure is Lipschitz continuous with respect to the data in total variation norm. Computational challenges in this construction arise from the need for repeated evaluations of the forward model (e.g., in the context of MCMC) and are compounded by high dimensionality of the posterior. We develop two-stage reversible jump MCMC that has the ability to screen the bad proposals in the first inexpensive stage. Numerical results are presented by analyzing simulated as well as real data from hydrocarbon reservoir. This article has supplementary material available online. © 2014 American Statistical Association and the American Society for Quality.

  11. Understanding Prairie Fen Hydrology - a Hierarchical Multi-Scale Groundwater Modeling Approach

    Science.gov (United States)

    Sampath, P.; Liao, H.; Abbas, H.; Ma, L.; Li, S.

    2012-12-01

    Prairie fens provide critical habitat to more than 50 rare species and significantly contribute to the biodiversity of the upper Great Lakes region. The sustainability of these globally unique ecosystems, however, requires that they be fed by a steady supply of pristine, calcareous groundwater. Understanding the hydrology that supports the existence of such fens is essential in preserving these valuable habitats. This research uses process-based multi-scale groundwater modeling for this purpose. Two fen-sites, MacCready Fen and Ives Road Fen, in Southern Michigan were systematically studied. A hierarchy of nested steady-state models was built for each fen-site to capture the system's dynamics at spatial scales ranging from the regional groundwater-shed to the local fens. The models utilize high-resolution Digital Elevation Models (DEM), National Hydrologic Datasets (NHD), a recently-assembled water-well database, and results from a state-wide groundwater mapping project to represent the complex hydro-geological and stress framework. The modeling system simulates both shallow glacial and deep bedrock aquifers as well as the interaction between surface water and groundwater. Aquifer heterogeneities were explicitly simulated with multi-scale transition probability geo-statistics. A two-way hydraulic head feedback mechanism was set up between the nested models, such that the parent models provided boundary conditions to the child models, and in turn the child models provided local information to the parent models. A hierarchical mass budget analysis was performed to estimate the seepage fluxes at the surface water/groundwater interfaces and to assess the relative importance of the processes at multiple scales that contribute water to the fens. The models were calibrated using observed base-flows at stream gauging stations and/or static water levels at wells. Three-dimensional particle tracking was used to predict the sources of water to the fens. We observed from the

  12. Hierarchical Multiscale Framework for Materials Modeling: Advances in Scale-Bridging Applied to a Taylor Anvil Impact Test of RDX

    Science.gov (United States)

    Barnes, Brian; Leiter, Kenneth; Becker, Richard; Knap, Jaroslaw; Brennan, John

    As part of a multiscale modeling effort, we present progress on a challenge in continuum-scale modeling: the direct incorporation of complex molecular-level processes in the constitutive evaluation. In this initial phase of the research we use a concurrent scale-bridging approach, with a hierarchical multiscale framework running in parallel to couple a particle-based model (the ''lower scale'') computing the equation of state (EOS) to the constitutive response in a finite-element multi-physics simulation (the ''upper scale''). The lower scale simulations of 1,3,5-trinitroperhydro-1,3,5-triazine (RDX) use a force-matched coarse-grain model and dissipative particle dynamics methods, and the upper scale simulation is of a Taylor anvil impact experiment. Results emphasize use of adaptive sampling (via dynamic kriging) that accelerates time to solution, and its comparison to fully ''on the fly'' runs. Work towards inclusion of a fully reactive EOS is also discussed.

  13. Multiscale vascular surface model generation from medical imaging data using hierarchical features.

    Science.gov (United States)

    Bekkers, Eric J; Taylor, Charles A

    2008-03-01

    Computational fluid dynamics (CFD) modeling of blood flow from image-based patient specific models can provide useful physiologic information for guiding clinical decision making. A novel method for the generation of image-based, 3-D, multiscale vascular surface models for CFD is presented. The method generates multiscale surfaces based on either a linear triangulated or a globally smooth nonuniform rational B-spline (NURB) representation. A robust local curvature analysis is combined with a novel global feature analysis to set mesh element size. The method is particularly useful for CFD modeling of complex vascular geometries that have a wide range of vasculature size scales, in conditions where 1) initial surface mesh density is an important consideration for balancing surface accuracy with manageable size volumetric meshes, 2) adaptive mesh refinement based on flow features makes an underlying explicit smooth surface representation desirable, and 3) semi-automated detection and trimming of a large number of inlet and outlet vessels expedites model construction.

  14. Hierarchical multi-scale approach to validation and uncertainty quantification of hyper-spectral image modeling

    Science.gov (United States)

    Engel, Dave W.; Reichardt, Thomas A.; Kulp, Thomas J.; Graff, David L.; Thompson, Sandra E.

    2016-05-01

    Validating predictive models and quantifying uncertainties inherent in the modeling process is a critical component of the HARD Solids Venture program [1]. Our current research focuses on validating physics-based models predicting the optical properties of solid materials for arbitrary surface morphologies and characterizing the uncertainties in these models. We employ a systematic and hierarchical approach by designing physical experiments and comparing the experimental results with the outputs of computational predictive models. We illustrate this approach through an example comparing a micro-scale forward model to an idealized solid-material system and then propagating the results through a system model to the sensor level. Our efforts should enhance detection reliability of the hyper-spectral imaging technique and the confidence in model utilization and model outputs by users and stakeholders.

  15. Hierarchical Multi-Scale Approach To Validation and Uncertainty Quantification of Hyper-Spectral Image Modeling

    Energy Technology Data Exchange (ETDEWEB)

    Engel, David W.; Reichardt, Thomas A.; Kulp, Thomas J.; Graff, David; Thompson, Sandra E.

    2016-09-17

    Validating predictive models and quantifying uncertainties inherent in the modeling process is a critical component of the HARD Solids Venture program [1]. Our current research focuses on validating physics-based models predicting the optical properties of solid materials for arbitrary surface morphologies and characterizing the uncertainties in these models. We employ a systematic and hierarchical approach by designing physical experiments and comparing the experimental results with the outputs of computational predictive models. We illustrate this approach through an example comparing a micro-scale forward model to an idealized solid-material system and then propagating the results through a system model to the sensor level. Our efforts should enhance detection reliability of the hyper-spectral imaging technique and the confidence in model utilization and model outputs by users and stakeholders.

  16. Multi-scale hierarchical approach for parametric mapping: assessment on multi-compartmental models.

    Science.gov (United States)

    Rizzo, G; Turkheimer, F E; Bertoldo, A

    2013-02-15

    This paper investigates a new hierarchical method to apply basis function to mono- and multi-compartmental models (Hierarchical-Basis Function Method, H-BFM) at a voxel level. This method identifies the parameters of the compartmental model in its nonlinearized version, integrating information derived at the region of interest (ROI) level by segmenting the cerebral volume based on anatomical definition or functional clustering. We present the results obtained by using a two tissue-four rate constant model with two different tracers ([(11)C]FLB457 and [carbonyl-(11)C]WAY100635), one of the most complex models used in receptor studies, especially at the voxel level. H-BFM is robust and its application on both [(11)C]FLB457 and [carbonyl-(11)C]WAY100635 allows accurate and precise parameter estimates, good quality parametric maps and a low percentage of voxels out of physiological bound (approach for PET quantification by using compartmental modeling at the voxel level. In particular, different from other proposed approaches, this method can also be used when the linearization of the model is not appropriate. We expect that applying it to clinical data will generate reliable parametric maps. Copyright © 2012 Elsevier Inc. All rights reserved.

  17. A multiscale, hierarchical model of pulse dynamics in arid-land ecosystems

    Science.gov (United States)

    Collins, Scott L.; Belnap, Jayne; Grimm, N. B.; Rudgers, J. A.; Dahm, Clifford N.; D'Odorico, P.; Litvak, M.; Natvig, D. O.; Peters, Douglas C.; Pockman, W. T.; Sinsabaugh, R. L.; Wolf, B. O.

    2014-01-01

    Ecological processes in arid lands are often described by the pulse-reserve paradigm, in which rain events drive biological activity until moisture is depleted, leaving a reserve. This paradigm is frequently applied to processes stimulated by one or a few precipitation events within a growing season. Here we expand the original framework in time and space and include other pulses that interact with rainfall. This new hierarchical pulse-dynamics framework integrates space and time through pulse-driven exchanges, interactions, transitions, and transfers that occur across individual to multiple pulses extending from micro to watershed scales. Climate change will likely alter the size, frequency, and intensity of precipitation pulses in the future, and arid-land ecosystems are known to be highly sensitive to climate variability. Thus, a more comprehensive understanding of arid-land pulse dynamics is needed to determine how these ecosystems will respond to, and be shaped by, increased climate variability.

  18. 3D surface reconstruction multi-scale hierarchical approaches

    CERN Document Server

    Bellocchio, Francesco; Ferrari, Stefano; Piuri, Vincenzo

    2012-01-01

    3D Surface Reconstruction: Multi-Scale Hierarchical Approaches presents methods to model 3D objects in an incremental way so as to capture more finer details at each step. The configuration of the model parameters, the rationale and solutions are described and discussed in detail so the reader has a strong understanding of the methodology. Modeling starts from data captured by 3D digitizers and makes the process even more clear and engaging. Innovative approaches, based on two popular machine learning paradigms, namely Radial Basis Functions and the Support Vector Machines, are also introduced

  19. Hierarchical and Multiscale Modeling for Elucidating the Androgren Receptor Signaling Pathway in Prostate Cancer

    Science.gov (United States)

    2009-10-01

    functional distances for lo- cal scales. This illustrates that diffusion at higher scales smooths or denoises the evaluation of functional distances...factor model with the satu- rated model (Lasso on the original features), SVD regression, and regression using the eigenvectors of the Laplacian...the other methods as measured by AUC. Method Sat SVD Lap MSF Avg AUC .886 .885 .914 .934 Std dev .028 .038 .037 .022 Table 1: Performance comparison

  20. Multiscale modeling in nanomaterials science

    Energy Technology Data Exchange (ETDEWEB)

    Karakasidis, T.E. [Department of Civil Engineering, University of Thessaly, Pedion Areos, GR-38834 Volos (Greece)], E-mail: thkarak@uth.gr; Charitidis, C.A. [National Technical University of Athens, School of Chemical Engineering, 9 Heroon, Polytechniou st., Zografos, GR-157 80 Athens (Greece)

    2007-09-15

    Nanoscience is an area with increasing interest both in the physicochemical phenomena involved and the potential applications such as silicon carbide films, carbon nanotubes, quantum dots, MEMS etc. These materials exhibit very interesting properties (electronic, optical, mechanical) at various length/time scales necessitating better insight. Modern fabrication techniques, such as CVD, also require better understanding in a wide range of length/time scales, in order to achieve better process control. Multiscale modeling is a new, fast developing and challenging scientific field with contributions from many scientific disciplines in an effort to assure materials simulation across length/time scales. In this paper we present a brief review of recent advances in multiscale materials modeling. First, a classification of existing simulation methods based on time and length scales is presented along with basic principles of the multiscale approach. More specifically, we focus on electronic structure calculations, classical atomistic simulation with molecular dynamics or monte carlo methods at the nano/micro scale, Kinetic Monte Carlo for larger system/time scales and finite elements for very large scales. Then, we present the hierarchical and the hybrid strategies of multiscale modeling to couple these methods. Finally, we deal with selected applications concerning thin film CVD deposition and mechanical behavior of carbon nanotubes and we conclude presenting an overview of future trends of multiscale modeling.

  1. Low-Level Hierarchical Multiscale Segmentation Statistics of Natural Images.

    Science.gov (United States)

    Akbas, Emre; Ahuja, Narendra

    2014-09-01

    This paper is aimed at obtaining the statistics as a probabilistic model pertaining to the geometric, topological and photometric structure of natural images. The image structure is represented by its segmentation graph derived from the low-level hierarchical multiscale image segmentation. We first estimate the statistics of a number of segmentation graph properties from a large number of images. Our estimates confirm some findings reported in the past work, as well as provide some new ones. We then obtain a Markov random field based model of the segmentation graph which subsumes the observed statistics. To demonstrate the value of the model and the statistics, we show how its use as a prior impacts three applications: image classification, semantic image segmentation and object detection.

  2. Universal hierarchical symmetry for turbulence and general multi-scale fluctuation systems

    Institute of Scientific and Technical Information of China (English)

    Zhen-Su She; Zhi-Xiong Zhang

    2009-01-01

    Scaling is an important measure of multi-scale fluctuation systems. Turbulence as the most remarkable multi-scale system possesses scaling over a wide range of scales. She-Leveque (SL) hierarchical symmetry, since its publication in 1994, has received wide attention. A num-ber of experimental, numerical and theoretical work have been devoted to its verification, extension, and modification. Application to the understanding of magnetohydrodynamic turbulence, motions of cosmic baryon fluids, cosmological supersonic turbulence, natural image, spiral turbulent patterns, DNA anomalous composition, human heart vari-ability are just a few among the most successful examples. A number of modified scaling laws have been derived in the framework of the hierarchical symmetry, and the SL model parameters are found to reveal both the organizational order of the whole system and the properties of the most signif-icant fluctuation structures. A partial set of work related to these studies are reviewed. Particular emphasis is placed on the nature of the hierarchical symmetry. It is suggested that the SL hierarchical symmetry is a new form of the self-orga-nization principle for multi-scale fluctuation systems, and can be employed as a standard analysis tool in the general multi-scale methodology. It is further suggested that the SL hierarchical symmetry implies the existence of a turbulence ensemble. It is speculated that the search for defining the turbulence ensemble might open a new way for deriving sta-tistical closure equations for turbulence and other multi-scale fluctuation systems.

  3. Multiscale cancer modeling.

    Science.gov (United States)

    Deisboeck, Thomas S; Wang, Zhihui; Macklin, Paul; Cristini, Vittorio

    2011-08-15

    Simulating cancer behavior across multiple biological scales in space and time, i.e., multiscale cancer modeling, is increasingly being recognized as a powerful tool to refine hypotheses, focus experiments, and enable more accurate predictions. A growing number of examples illustrate the value of this approach in providing quantitative insights in the initiation, progression, and treatment of cancer. In this review, we introduce the most recent and important multiscale cancer modeling works that have successfully established a mechanistic link between different biological scales. Biophysical, biochemical, and biomechanical factors are considered in these models. We also discuss innovative, cutting-edge modeling methods that are moving predictive multiscale cancer modeling toward clinical application. Furthermore, because the development of multiscale cancer models requires a new level of collaboration among scientists from a variety of fields such as biology, medicine, physics, mathematics, engineering, and computer science, an innovative Web-based infrastructure is needed to support this growing community.

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

    Science.gov (United States)

    Wurm, Patrick; Ulz, Manfred H.

    2016-10-01

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

  5. Experimental validation and effect of modelling assumptions in the hierarchical multi-scale simulation of the cup drawing of AA6016 sheets

    Science.gov (United States)

    Ramírez, M. A.; Schouwenaars, R.; Eyckens, P.; Gawad, J.; Kestens, L.; Van Bael, A.; Van Houtte, P.

    2017-01-01

    An essential step in the improvement of design strategies for a wide range of industrial deep drawing applications is the development of methods which allow for the precise prediction of shape and processing parameters. Earlier work has demonstrated, in a clear but qualitative manner, the capabilities of the hierarchical multiscale (HMS) model, which predicts the anisotropic plastic properties of metallic materials based on a statistical analysis of microstructure-based anisotropy and a continuous description of the yield locus. The method is implemented into the ABAQUS finite-element software but, until recently, little attention had been paid to other factors which determine the accuracy of a finite element prediction in general, such as mesh size, friction coefficient and rigid/elastic modelling of the tools. Through the analysis of cup drawing, which is a well-established laboratory-scale test relevant to industrial applications, a quantitative comparison is provided between measured cup geometry and punch force and modelling results for commercial AA6016T4 aluminium sheets. The relatively weak earing behaviour of these materials serves to emphasise the small differences still found between model and experiment, which may be addressed by future refinement of the micromechanical component of the HMS. Average cup height and punch force, which is an important process parameter omitted in earlier studies, depend primarily on the friction coefficient and assumptions in the modelling of the tools. Considering the balance between accuracy and precision, it is concluded that the proposed methodology has matured sufficiently to be used as a design tool at industrial level.

  6. Hierarchical multiscale framework for materials modeling: Equation of state implementation and application to a Taylor anvil impact test of RDX

    Science.gov (United States)

    Barnes, Brian C.; Spear, Carrie E.; Leiter, Ken W.; Becker, Richard; Knap, Jaroslaw; Lísal, Martin; Brennan, John K.

    2017-01-01

    In order to progress towards a materials-by-design capability, we present work on a challenge in continuum-scale modeling: the direct incorporation of complex physical processes in the constitutive evaluation. In this work, we use an adaptive scale-bridging computational framework executing in parallel in a heterogeneous computational environment to couple a fine-scale, particle-based model computing the equation of state (EOS) to the constitutive response in a finite-element multi-physics simulation. The EOS is obtained from high fidelity materials simulations performed via dissipative particle dynamics (DPD) methods. This scale-bridging framework is progress towards an innovation infrastructure that will be of great utility for systems in which essential aspects of material response are too complex to capture by closed form material models. The design, implementation, and performance of the scale-bridging framework are discussed. Also presented is a proof-of-concept Taylor anvil impact test of non-reacting 1,3,5-trinitrohexahydro-s-triazine (RDX).

  7. Multiscale Computing with the Multiscale Modeling Library and Runtime Environment

    NARCIS (Netherlands)

    Borgdorff, J.; Mamonski, M.; Bosak, B.; Groen, D.; Ben Belgacem, M.; Kurowski, K.; Hoekstra, A.G.

    2013-01-01

    We introduce a software tool to simulate multiscale models: the Multiscale Coupling Library and Environment 2 (MUSCLE 2). MUSCLE 2 is a component-based modeling tool inspired by the multiscale modeling and simulation framework, with an easy-to-use API which supports Java, C++, C, and Fortran. We pre

  8. Multiscale Cloud System Modeling

    Science.gov (United States)

    Tao, Wei-Kuo; Moncrieff, Mitchell W.

    2009-01-01

    The central theme of this paper is to describe how cloud system resolving models (CRMs) of grid spacing approximately 1 km have been applied to various important problems in atmospheric science across a wide range of spatial and temporal scales and how these applications relate to other modeling approaches. A long-standing problem concerns the representation of organized precipitating convective cloud systems in weather and climate models. Since CRMs resolve the mesoscale to large scales of motion (i.e., 10 km to global) they explicitly address the cloud system problem. By explicitly representing organized convection, CRMs bypass restrictive assumptions associated with convective parameterization such as the scale gap between cumulus and large-scale motion. Dynamical models provide insight into the physical mechanisms involved with scale interaction and convective organization. Multiscale CRMs simulate convective cloud systems in computational domains up to global and have been applied in place of contemporary convective parameterizations in global models. Multiscale CRMs pose a new challenge for model validation, which is met in an integrated approach involving CRMs, operational prediction systems, observational measurements, and dynamical models in a new international project: the Year of Tropical Convection, which has an emphasis on organized tropical convection and its global effects.

  9. Multiscale experimental mechanics of hierarchical carbon-based materials.

    Science.gov (United States)

    Espinosa, Horacio D; Filleter, Tobin; Naraghi, Mohammad

    2012-06-05

    Investigation of the mechanics of natural materials, such as spider silk, abalone shells, and bone, has provided great insight into the design of materials that can simultaneously achieve high specific strength and toughness. Research has shown that their emergent mechanical properties are owed in part to their specific self-organization in hierarchical molecular structures, from nanoscale to macroscale, as well as their mixing and bonding. To apply these findings to manmade materials, researchers have devoted significant efforts in developing a fundamental understanding of multiscale mechanics of materials and its application to the design of novel materials with superior mechanical performance. These efforts included the utilization of some of the most promising carbon-based nanomaterials, such as carbon nanotubes, carbon nanofibers, and graphene, together with a variety of matrix materials. At the core of these efforts lies the need to characterize material mechanical behavior across multiple length scales starting from nanoscale characterization of constituents and their interactions to emerging micro- and macroscale properties. In this report, progress made in experimental tools and methods currently used for material characterization across multiple length scales is reviewed, as well as a discussion of how they have impacted our current understanding of the mechanics of hierarchical carbon-based materials. In addition, insight is provided into strategies for bridging experiments across length scales, which are essential in establishing a multiscale characterization approach. While the focus of this progress report is in experimental methods, their concerted use with theoretical-computational approaches towards the establishment of a robust material by design methodology is also discussed, which can pave the way for the development of novel materials possessing unprecedented mechanical properties.

  10. Multiscale Signal Analysis and Modeling

    CERN Document Server

    Zayed, Ahmed

    2013-01-01

    Multiscale Signal Analysis and Modeling presents recent advances in multiscale analysis and modeling using wavelets and other systems. This book also presents applications in digital signal processing using sampling theory and techniques from various function spaces, filter design, feature extraction and classification, signal and image representation/transmission, coding, nonparametric statistical signal processing, and statistical learning theory. This book also: Discusses recently developed signal modeling techniques, such as the multiscale method for complex time series modeling, multiscale positive density estimations, Bayesian Shrinkage Strategies, and algorithms for data adaptive statistics Introduces new sampling algorithms for multidimensional signal processing Provides comprehensive coverage of wavelets with presentations on waveform design and modeling, wavelet analysis of ECG signals and wavelet filters Reviews features extraction and classification algorithms for multiscale signal and image proce...

  11. Multiscale modeling of proteins.

    Science.gov (United States)

    Tozzini, Valentina

    2010-02-16

    The activity within a living cell is based on a complex network of interactions among biomolecules, exchanging information and energy through biochemical processes. These events occur on different scales, from the nano- to the macroscale, spanning about 10 orders of magnitude in the space domain and 15 orders of magnitude in the time domain. Consequently, many different modeling techniques, each proper for a particular time or space scale, are commonly used. In addition, a single process often spans more than a single time or space scale. Thus, the necessity arises for combining the modeling techniques in multiscale approaches. In this Account, I first review the different modeling methods for bio-systems, from quantum mechanics to the coarse-grained and continuum-like descriptions, passing through the atomistic force field simulations. Special attention is devoted to their combination in different possible multiscale approaches and to the questions and problems related to their coherent matching in the space and time domains. These aspects are often considered secondary, but in fact, they have primary relevance when the aim is the coherent and complete description of bioprocesses. Subsequently, applications are illustrated by means of two paradigmatic examples: (i) the green fluorescent protein (GFP) family and (ii) the proteins involved in the human immunodeficiency virus (HIV) replication cycle. The GFPs are currently one of the most frequently used markers for monitoring protein trafficking within living cells; nanobiotechnology and cell biology strongly rely on their use in fluorescence microscopy techniques. A detailed knowledge of the actions of the virus-specific enzymes of HIV (specifically HIV protease and integrase) is necessary to study novel therapeutic strategies against this disease. Thus, the insight accumulated over years of intense study is an excellent framework for this Account. The foremost relevance of these two biomolecular systems was

  12. MULTISCALE THERMOHYDROLOGIC MODEL

    Energy Technology Data Exchange (ETDEWEB)

    T.A. Buscheck

    2001-12-21

    The purpose of the Multiscale Thermohydrologic Model (MSTHM) is to describe the thermohydrologic evolution of the near-field environment (NFE) and engineered barrier system (EBS) throughout the potential high-level nuclear waste repository at Yucca Mountain for a particular engineering design (CRWMS M&O 2000c). The process-level model will provide thermohydrologic (TH) information and data (such as in-drift temperature, relative humidity, liquid saturation, etc.) for use in other technical products. This data is provided throughout the entire repository area as a function of time. The MSTHM couples the Smeared-heat-source Drift-scale Thermal-conduction (SDT), Line-average-heat-source Drift-scale Thermohydrologic (LDTH), Discrete-heat-source Drift-scale Thermal-conduction (DDT), and Smeared-heat-source Mountain-scale Thermal-conduction (SMT) submodels such that the flow of water and water vapor through partially-saturated fractured rock is considered. The MSTHM accounts for 3-D drift-scale and mountain-scale heat flow, repository-scale variability of stratigraphy and infiltration flux, and waste package (WP)-to-WP variability in heat output from WPs. All submodels use the nonisothermal unsaturated-saturated flow and transport (NUFT) simulation code. The MSTHM is implemented in several data-processing steps. The four major steps are: (1) submodel input-file preparation, (2) execution of the four submodel families with the use of the NUFT code, (3) execution of the multiscale thermohydrologic abstraction code (MSTHAC), and (4) binning and post-processing (i.e., graphics preparation) of the output from MSTHAC. Section 6 describes the MSTHM in detail. The objectives of this Analyses and Model Report (AMR) are to investigate near field (NF) and EBS thermohydrologic environments throughout the repository area at various evolution periods, and to provide TH data that may be used in other process model reports.

  13. MULTISCALE THERMOHYDROLOGIC MODEL

    Energy Technology Data Exchange (ETDEWEB)

    T.A. Buscheck

    2001-12-21

    The purpose of the Multiscale Thermohydrologic Model (MSTHM) is to describe the thermohydrologic evolution of the near-field environment (NFE) and engineered barrier system (EBS) throughout the potential high-level nuclear waste repository at Yucca Mountain for a particular engineering design (CRWMS M&O 2000c). The process-level model will provide thermohydrologic (TH) information and data (such as in-drift temperature, relative humidity, liquid saturation, etc.) for use in other technical products. This data is provided throughout the entire repository area as a function of time. The MSTHM couples the Smeared-heat-source Drift-scale Thermal-conduction (SDT), Line-average-heat-source Drift-scale Thermohydrologic (LDTH), Discrete-heat-source Drift-scale Thermal-conduction (DDT), and Smeared-heat-source Mountain-scale Thermal-conduction (SMT) submodels such that the flow of water and water vapor through partially-saturated fractured rock is considered. The MSTHM accounts for 3-D drift-scale and mountain-scale heat flow, repository-scale variability of stratigraphy and infiltration flux, and waste package (WP)-to-WP variability in heat output from WPs. All submodels use the nonisothermal unsaturated-saturated flow and transport (NUFT) simulation code. The MSTHM is implemented in several data-processing steps. The four major steps are: (1) submodel input-file preparation, (2) execution of the four submodel families with the use of the NUFT code, (3) execution of the multiscale thermohydrologic abstraction code (MSTHAC), and (4) binning and post-processing (i.e., graphics preparation) of the output from MSTHAC. Section 6 describes the MSTHM in detail. The objectives of this Analyses and Model Report (AMR) are to investigate near field (NF) and EBS thermohydrologic environments throughout the repository area at various evolution periods, and to provide TH data that may be used in other process model reports.

  14. Multiscale stochastic hierarchical image segmentation by spectral clustering

    Institute of Scientific and Technical Information of China (English)

    LI XiaoBin; TIAN Zheng

    2007-01-01

    This paper proposes a sampling based hierarchical approach for solving the computational demands of the spectral clustering methods when applied to the problem of image segmentation. The authors first define the distance between a pixel and a cluster, and then derive a new theorem to estimate the number of samples needed for clustering. Finally, by introducing a scale parameter into the similarity function, a novel spectral clustering based image segmentation method has been developed. An important characteristic of the approach is that in the course of image segmentation one needs not only to tune the scale parameter to merge the small size clusters or split the large size clusters but also take samples from the data set at the different scales. The multiscale and stochastic nature makes it feasible to apply the method to very large grouping problem. In addition, it also makes the segmentation compute in time that is linear in the size of the image. The experimental results on various synthetic and real world images show the effectiveness of the approach.

  15. Collaborative Hierarchical Sparse Modeling

    CERN Document Server

    Sprechmann, Pablo; Sapiro, Guillermo; Eldar, Yonina C

    2010-01-01

    Sparse modeling is a powerful framework for data analysis and processing. Traditionally, encoding in this framework is done by solving an l_1-regularized linear regression problem, usually called Lasso. In this work we first combine the sparsity-inducing property of the Lasso model, at the individual feature level, with the block-sparsity property of the group Lasso model, where sparse groups of features are jointly encoded, obtaining a sparsity pattern hierarchically structured. This results in the hierarchical Lasso, which shows important practical modeling advantages. We then extend this approach to the collaborative case, where a set of simultaneously coded signals share the same sparsity pattern at the higher (group) level but not necessarily at the lower one. Signals then share the same active groups, or classes, but not necessarily the same active set. This is very well suited for applications such as source separation. An efficient optimization procedure, which guarantees convergence to the global opt...

  16. Multiscale Thermohydrologic Model

    Energy Technology Data Exchange (ETDEWEB)

    T. Buscheck

    2004-10-12

    The purpose of the multiscale thermohydrologic model (MSTHM) is to predict the possible range of thermal-hydrologic conditions, resulting from uncertainty and variability, in the repository emplacement drifts, including the invert, and in the adjoining host rock for the repository at Yucca Mountain. Thus, the goal is to predict the range of possible thermal-hydrologic conditions across the repository; this is quite different from predicting a single expected thermal-hydrologic response. The MSTHM calculates the following thermal-hydrologic parameters: temperature, relative humidity, liquid-phase saturation, evaporation rate, air-mass fraction, gas-phase pressure, capillary pressure, and liquid- and gas-phase fluxes (Table 1-1). These thermal-hydrologic parameters are required to support ''Total System Performance Assessment (TSPA) Model/Analysis for the License Application'' (BSC 2004 [DIRS 168504]). The thermal-hydrologic parameters are determined as a function of position along each of the emplacement drifts and as a function of waste package type. These parameters are determined at various reference locations within the emplacement drifts, including the waste package and drip-shield surfaces and in the invert. The parameters are also determined at various defined locations in the adjoining host rock. The MSTHM uses data obtained from the data tracking numbers (DTNs) listed in Table 4.1-1. The majority of those DTNs were generated from the following analyses and model reports: (1) ''UZ Flow Model and Submodels'' (BSC 2004 [DIRS 169861]); (2) ''Development of Numerical Grids for UZ Flow and Transport Modeling'' (BSC 2004); (3) ''Calibrated Properties Model'' (BSC 2004 [DIRS 169857]); (4) ''Thermal Conductivity of the Potential Repository Horizon'' (BSC 2004 [DIRS 169854]); (5) ''Thermal Conductivity of the Non-Repository Lithostratigraphic Layers

  17. MULTISCALE THERMOHYDROLOGIC MODEL

    Energy Technology Data Exchange (ETDEWEB)

    T. Buscheck

    2005-07-07

    The intended purpose of the multiscale thermohydrologic model (MSTHM) is to predict the possible range of thermal-hydrologic conditions, resulting from uncertainty and variability, in the repository emplacement drifts, including the invert, and in the adjoining host rock for the repository at Yucca Mountain. The goal of the MSTHM is to predict a reasonable range of possible thermal-hydrologic conditions within the emplacement drift. To be reasonable, this range includes the influence of waste-package-to-waste-package heat output variability relevant to the license application design, as well as the influence of uncertainty and variability in the geologic and hydrologic conditions relevant to predicting the thermal-hydrologic response in emplacement drifts. This goal is quite different from the goal of a model to predict a single expected thermal-hydrologic response. As a result, the development and validation of the MSTHM and the associated analyses using this model are focused on the goal of predicting a reasonable range of thermal-hydrologic conditions resulting from parametric uncertainty and waste-package-to-waste-package heat-output variability. Thermal-hydrologic conditions within emplacement drifts depend primarily on thermal-hydrologic conditions in the host rock at the drift wall and on the temperature difference between the drift wall and the drip-shield and waste-package surfaces. Thus, the ability to predict a reasonable range of relevant in-drift MSTHM output parameters (e.g., temperature and relative humidity) is based on valid predictions of thermal-hydrologic processes in the host rock, as well as valid predictions of heat-transfer processes between the drift wall and the drip-shield and waste-package surfaces. Because the invert contains crushed gravel derived from the host rock, the invert is, in effect, an extension of the host rock, with thermal and hydrologic properties that have been modified by virtue of the crushing (and the resulting

  18. Multiscale modeling methods in biomechanics.

    Science.gov (United States)

    Bhattacharya, Pinaki; Viceconti, Marco

    2017-01-19

    More and more frequently, computational biomechanics deals with problems where the portion of physical reality to be modeled spans over such a large range of spatial and temporal dimensions, that it is impossible to represent it as a single space-time continuum. We are forced to consider multiple space-time continua, each representing the phenomenon of interest at a characteristic space-time scale. Multiscale models describe a complex process across multiple scales, and account for how quantities transform as we move from one scale to another. This review offers a set of definitions for this emerging field, and provides a brief summary of the most recent developments on multiscale modeling in biomechanics. Of all possible perspectives, we chose that of the modeling intent, which vastly affect the nature and the structure of each research activity. To the purpose we organized all papers reviewed in three categories: 'causal confirmation,' where multiscale models are used as materializations of the causation theories; 'predictive accuracy,' where multiscale modeling is aimed to improve the predictive accuracy; and 'determination of effect,' where multiscale modeling is used to model how a change at one scale manifests in an effect at another radically different space-time scale. Consistent with how the volume of computational biomechanics research is distributed across application targets, we extensively reviewed papers targeting the musculoskeletal and the cardiovascular systems, and covered only a few exemplary papers targeting other organ systems. The review shows a research subdomain still in its infancy, where causal confirmation papers remain the most common. For further resources related to this article, please visit the WIREs website.

  19. Multiscale Modelling and Inverse Problems

    CERN Document Server

    Nolen, J; Stuart, A M

    2010-01-01

    The need to blend observational data and mathematical models arises in many applications and leads naturally to inverse problems. Parameters appearing in the model, such as constitutive tensors, initial conditions, boundary conditions, and forcing can be estimated on the basis of observed data. The resulting inverse problems are often ill-posed and some form of regularization is required. These notes discuss parameter estimation in situations where the unknown parameters vary across multiple scales. We illustrate the main ideas using a simple model for groundwater flow. We will highlight various approaches to regularization for inverse problems, including Tikhonov and Bayesian methods. We illustrate three ideas that arise when considering inverse problems in the multiscale context. The first idea is that the choice of space or set in which to seek the solution to the inverse problem is intimately related to whether a homogenized or full multiscale solution is required. This is a choice of regularization. The ...

  20. Multiscale modeling and synaptic plasticity.

    Science.gov (United States)

    Bhalla, Upinder S

    2014-01-01

    Synaptic plasticity is a major convergence point for theory and computation, and the process of plasticity engages physiology, cell, and molecular biology. In its many manifestations, plasticity is at the hub of basic neuroscience questions about memory and development, as well as more medically themed questions of neural damage and recovery. As an important cellular locus of memory, synaptic plasticity has received a huge amount of experimental and theoretical attention. If computational models have tended to pick specific aspects of plasticity, such as STDP, and reduce them to an equation, some experimental studies are equally guilty of oversimplification each time they identify a new molecule and declare it to be the last word in plasticity and learning. Multiscale modeling begins with the acknowledgment that synaptic function spans many levels of signaling, and these are so tightly coupled that we risk losing essential features of plasticity if we focus exclusively on any one level. Despite the technical challenges and gaps in data for model specification, an increasing number of multiscale modeling studies have taken on key questions in plasticity. These have provided new insights, but importantly, they have opened new avenues for questioning. This review discusses a wide range of multiscale models in plasticity, including their technical landscape and their implications.

  1. Modeling hierarchical structures - Hierarchical Linear Modeling using MPlus

    CERN Document Server

    Jelonek, M

    2006-01-01

    The aim of this paper is to present the technique (and its linkage with physics) of overcoming problems connected to modeling social structures, which are typically hierarchical. Hierarchical Linear Models provide a conceptual and statistical mechanism for drawing conclusions regarding the influence of phenomena at different levels of analysis. In the social sciences it is used to analyze many problems such as educational, organizational or market dilemma. This paper introduces the logic of modeling hierarchical linear equations and estimation based on MPlus software. I present my own model to illustrate the impact of different factors on school acceptation level.

  2. Differential geometry based multiscale models.

    Science.gov (United States)

    Wei, Guo-Wei

    2010-08-01

    Large chemical and biological systems such as fuel cells, ion channels, molecular motors, and viruses are of great importance to the scientific community and public health. Typically, these complex systems in conjunction with their aquatic environment pose a fabulous challenge to theoretical description, simulation, and prediction. In this work, we propose a differential geometry based multiscale paradigm to model complex macromolecular systems, and to put macroscopic and microscopic descriptions on an equal footing. In our approach, the differential geometry theory of surfaces and geometric measure theory are employed as a natural means to couple the macroscopic continuum mechanical description of the aquatic environment with the microscopic discrete atomistic description of the macromolecule. Multiscale free energy functionals, or multiscale action functionals are constructed as a unified framework to derive the governing equations for the dynamics of different scales and different descriptions. Two types of aqueous macromolecular complexes, ones that are near equilibrium and others that are far from equilibrium, are considered in our formulations. We show that generalized Navier-Stokes equations for the fluid dynamics, generalized Poisson equations or generalized Poisson-Boltzmann equations for electrostatic interactions, and Newton's equation for the molecular dynamics can be derived by the least action principle. These equations are coupled through the continuum-discrete interface whose dynamics is governed by potential driven geometric flows. Comparison is given to classical descriptions of the fluid and electrostatic interactions without geometric flow based micro-macro interfaces. The detailed balance of forces is emphasized in the present work. We further extend the proposed multiscale paradigm to micro-macro analysis of electrohydrodynamics, electrophoresis, fuel cells, and ion channels. We derive generalized Poisson-Nernst-Planck equations that are

  3. Modeling hierarchical structures - Hierarchical Linear Modeling using MPlus

    OpenAIRE

    Jelonek, Magdalena

    2006-01-01

    The aim of this paper is to present the technique (and its linkage with physics) of overcoming problems connected to modeling social structures, which are typically hierarchical. Hierarchical Linear Models provide a conceptual and statistical mechanism for drawing conclusions regarding the influence of phenomena at different levels of analysis. In the social sciences it is used to analyze many problems such as educational, organizational or market dilemma. This paper introduces the logic of m...

  4. Multiscale Modeling of Recrystallization

    Energy Technology Data Exchange (ETDEWEB)

    Godfrey, A.W.; Holm, E.A.; Hughes, D.A.; Lesar, R.; Miodownik, M.A.

    1998-12-07

    We propose a multi length scale approach to modeling recrystallization which links a dislocation model, a cell growth model and a macroscopic model. Although this methodology and linking framework will be applied to recrystallization, it is also applicable to other types of phase transformations in bulk and layered materials. Critical processes such as the dislocation structure evolution, nucleation, the evolution of crystal orientations into a preferred texture, and grain size evolution all operate at different length scales. In this paper we focus on incorporating experimental measurements of dislocation substructures, rnisorientation measurements of dislocation boundaries, and dislocation simulations into a mesoscopic model of cell growth. In particular, we show how feeding information from the dislocation model into the cell growth model can create realistic initial microstructure.

  5. Multiscale modeling in food engineering

    NARCIS (Netherlands)

    Ho, Q.T.; Carmeliet, J.; Datta, A.K.; Defraeye, T.; Delele, M.A.; Herremans, E.; Opara, L.; Ramon, H.; Tijskens, E.; Sman, van der R.G.M.; Liedekerke, Van P.; Verboven, P.; Nicolai, B.M.

    2013-01-01

    Since many years food engineers have attempted to describe physical phenomena such as heat and mass transfer that occur in food during unit operations by means of mathematical models. Foods are hierarchically structured and have features that extend from the molecular scale to the food plant scale.

  6. Multiscale Modeling of Bone

    Science.gov (United States)

    2014-12-01

    stiffnesses are in GPa. Location Femm Tibia Femur Femur Method illtrasound Mechanical illtrasound illtrasound Preferential Model Testing 95%EFM...0.2654 Femoral Neck [103] 0.2067 0.172 Femoral Head [104] 0.27 0.2 Distal Femm [105] 0.27 0.19 Proximal Femur [105] 0.105 Greater Trochanter [103...stiffer in compression than tension for all models. Additionally, the distal and proximal femm is stiffer than both the femoral neck and head. This is

  7. Multiscale Inorganic Hierarchically Materials: Towards an Improved Orthopaedic Regenerative Medicine.

    Science.gov (United States)

    Ruso, Juan M; Sartuqui, Javier; Messina, Paula V

    2015-01-01

    Bone is a biologically and structurally sophisticated multifunctional tissue. It dynamically responds to biochemical, mechanical and electrical clues by remodelling itself and accordingly the maximum strength and toughness are along the lines of the greatest applied stress. The challenge is to develop an orthopaedic biomaterial that imitates the micro- and nano-structural elements and compositions of bone to locally match the properties of the host tissue resulting in a biologically fixed implant. Looking for the ideal implant, the convergence of life and materials sciences occurs. Researchers in many different fields apply their expertise to improve implantable devices and regenerative medicine. Materials of all kinds, but especially hierarchical nano-materials, are being exploited. The application of nano-materials with hierarchical design to calcified tissue reconstructive medicine involve intricate systems including scaffolds with multifaceted shapes that provides temporary mechanical function; materials with nano-topography modifications that guarantee their integration to tissues and that possesses functionalized surfaces to transport biologic factors to stimulate tissue growth in a controlled, safe, and rapid manner. Furthermore materials that should degrade on a timeline coordinated to the time that takes the tissues regrow, are prepared. These implantable devices are multifunctional and for its construction they involve the use of precise strategically techniques together with specific material manufacturing processes that can be integrated to achieve in the design, the required multifunctionality. For such reasons, even though the idea of displacement from synthetic implants and tissue grafts to regenerative-medicine-based tissue reconstruction has been guaranteed for well over a decade, the reality has yet to emerge. In this paper, we examine the recent approaches to create enhanced bioactive materials. Their design and manufacturing procedures as well

  8. UV-assisted capillary force lithography for engineering biomimetic multiscale hierarchical structures: From lotus leaf to gecko foot hairs

    KAUST Repository

    Jeong, Hoon Eui

    2009-01-01

    This feature article provides an overview of the recently developed two-step UV-assisted capillary force lithography and its application to fabricating well-defined micro/nanoscale hierarchical structures. This method utilizes an oxygen inhibition effect in the course of UV irradiation curing and a two-step moulding process, to form multiscale hierarchical or suspended nanobridge structures in a rapid and reproducible manner. After a brief description of the fabrication principles, several examples of the two-step UV-assisted moulding technique are presented. In addition, emerging applications of the multiscale hierarchical structures are briefly described. © The Royal Society of Chemistry 2009.

  9. Multiscale vision model for event detection and reconstruction in two-photon imaging data

    DEFF Research Database (Denmark)

    Brazhe, Alexey; Mathiesen, Claus; Lind, Barbara;

    2014-01-01

    on a modified multiscale vision model, an object detection framework based on the thresholding of wavelet coefficients and hierarchical trees of significant coefficients followed by nonlinear iterative partial object reconstruction, for the analysis of two-photon calcium imaging data. The framework is discussed...... of the multiscale vision model is similar in the denoising, but provides a better segmenation of the image into meaningful objects, whereas other methods need to be combined with dedicated thresholding and segmentation utilities....

  10. Many-Task Computing Tools for Multiscale Modeling

    OpenAIRE

    Katz, Daniel S.; Ripeanu, Matei; Wilde, Michael

    2011-01-01

    This paper discusses the use of many-task computing tools for multiscale modeling. It defines multiscale modeling and places different examples of it on a coupling spectrum, discusses the Swift parallel scripting language, describes three multiscale modeling applications that could use Swift, and then talks about how the Swift model is being extended to cover more of the multiscale modeling coupling spectrum.

  11. Multiscale modeling of pedestrian dynamics

    CERN Document Server

    Cristiani, Emiliano; Tosin, Andrea

    2014-01-01

    This book presents mathematical models and numerical simulations of crowd dynamics. The core topic is the development of a new multiscale paradigm, which bridges the microscopic and macroscopic scales taking the most from each of them for capturing the relevant clues of complexity of crowds. The background idea is indeed that most of the complex trends exhibited by crowds are due to an intrinsic interplay between individual and collective behaviors. The modeling approach promoted in this book pursues actively this intuition and profits from it for designing general mathematical structures susceptible of application also in fields different from the inspiring original one. The book considers also the two most traditional points of view: the microscopic one, in which pedestrians are tracked individually, and the macroscopic one, in which pedestrians are assimilated to a continuum. Selected existing models are critically analyzed. The work is addressed to researchers and graduate students.

  12. Multiscale modelling of DNA mechanics

    Science.gov (United States)

    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.

  13. Science based integrated approach to advanced nuclear fuel development - integrated multi-scale multi-physics hierarchical modeling and simulation framework Part III: cladding

    Energy Technology Data Exchange (ETDEWEB)

    Tome, Carlos N [Los Alamos National Laboratory; Caro, J A [Los Alamos National Laboratory; Lebensohn, R A [Los Alamos National Laboratory; Unal, Cetin [Los Alamos National Laboratory; Arsenlis, A [LLNL; Marian, J [LLNL; Pasamehmetoglu, K [INL

    2010-01-01

    Advancing the performance of Light Water Reactors, Advanced Nuclear Fuel Cycles, and Advanced Reactors, such as the Next Generation Nuclear Power Plants, requires enhancing our fundamental understanding of fuel and materials behavior under irradiation. The capability to accurately model the nuclear fuel systems to develop predictive tools is critical. Not only are fabrication and performance models needed to understand specific aspects of the nuclear fuel, fully coupled fuel simulation codes are required to achieve licensing of specific nuclear fuel designs for operation. The backbone of these codes, models, and simulations is a fundamental understanding and predictive capability for simulating the phase and microstructural behavior of the nuclear fuel system materials and matrices. In this paper we review the current status of the advanced modeling and simulation of nuclear reactor cladding, with emphasis on what is available and what is to be developed in each scale of the project, how we propose to pass information from one scale to the next, and what experimental information is required for benchmarking and advancing the modeling at each scale level.

  14. Towards a Multiscale Approach to Cybersecurity Modeling

    Energy Technology Data Exchange (ETDEWEB)

    Hogan, Emilie A.; Hui, Peter SY; Choudhury, Sutanay; Halappanavar, Mahantesh; Oler, Kiri J.; Joslyn, Cliff A.

    2013-11-12

    We propose a multiscale approach to modeling cyber networks, with the goal of capturing a view of the network and overall situational awareness with respect to a few key properties--- connectivity, distance, and centrality--- for a system under an active attack. We focus on theoretical and algorithmic foundations of multiscale graphs, coming from an algorithmic perspective, with the goal of modeling cyber system defense as a specific use case scenario. We first define a notion of \\emph{multiscale} graphs, in contrast with their well-studied single-scale counterparts. We develop multiscale analogs of paths and distance metrics. As a simple, motivating example of a common metric, we present a multiscale analog of the all-pairs shortest-path problem, along with a multiscale analog of a well-known algorithm which solves it. From a cyber defense perspective, this metric might be used to model the distance from an attacker's position in the network to a sensitive machine. In addition, we investigate probabilistic models of connectivity. These models exploit the hierarchy to quantify the likelihood that sensitive targets might be reachable from compromised nodes. We believe that our novel multiscale approach to modeling cyber-physical systems will advance several aspects of cyber defense, specifically allowing for a more efficient and agile approach to defending these systems.

  15. Multiscale Modeling of Wear Degradation

    KAUST Repository

    Moraes, Alvaro

    2014-01-06

    Cylinder liners of diesel engines used for marine propulsion are naturally subjected to a wear process, and may fail when their wear exceeds a specified limit. Since failures often represent high economical costs, it is utterly important to predict and avoid them. In this work [4], we model the wear process using a pure jump process. Therefore, the inference goal here is to estimate: the number of possible jumps, its sizes, the coefficients and the shapes of the jump intensities. We propose a multiscale approach for the inference problem that can be seen as an indirect inference scheme. We found that using a Gaussian approximation based on moment expansions, it is possible to accurately estimate the jump intensities and the jump amplitudes. We obtained results equivalent to the state of the art but using a simpler and less expensive approach.

  16. Multiscale Modeling of Wear Degradation

    KAUST Repository

    Moraes, Alvaro

    2016-01-06

    Cylinder liners of diesel engines used for marine propulsion are naturally subjected to a wear process, and may fail when their wear exceeds a specified limit. Since failures often represent high economical costs, it is utterly important to predict and avoid them. In this work [4], we model the wear process using a pure jump process. Therefore, the inference goal here is to estimate: the number of possible jumps, its sizes, the coefficients and the shapes of the jump intensities. We propose a multiscale approach for the inference problem that can be seen as an indirect inference scheme. We found that using a Gaussian approximation based on moment expansions, it is possible to accurately estimate the jump intensities and the jump amplitudes. We obtained results equivalent to the state of the art but using a simpler and less expensive approach.

  17. Multiscale Modeling of Wear Degradation

    KAUST Repository

    Moraes, Alvaro

    2015-01-07

    Cylinder liners of diesel engines used for marine propulsion are naturally subjected to a wear process, and may fail when their wear exceeds a specified limit. Since failures often represent high economical costs, it is utterly important to predict and avoid them. In this work [4], we model the wear process using a pure jump process. Therefore, the inference goal here is to estimate: the number of possible jumps, its sizes, the coefficients and the shapes of the jump intensities. We propose a multiscale approach for the inference problem that can be seen as an indirect inference scheme. We found that using a Gaussian approximation based on moment expansions, it is possible to accurately estimate the jump intensities and the jump amplitudes. We obtained results equivalent to the state of the art but using a simpler and less expensive approach.

  18. Multiscale modelling of saliva secretion.

    Science.gov (United States)

    Sneyd, James; Crampin, Edmund; Yule, David

    2014-11-01

    We review a multiscale model of saliva secretion, describing in brief how the model is constructed and what we have so far learned from it. The model begins at the level of inositol trisphosphate receptors (IPR), and proceeds through the cellular level (with a model of acinar cell calcium dynamics) to the multicellular level (with a model of the acinus), finally to a model of a saliva production unit that includes an acinus and associated duct. The model at the level of the entire salivary gland is not yet completed. Particular results from the model so far include (i) the importance of modal behaviour of IPR, (ii) the relative unimportance of Ca(2+) oscillation frequency as a controller of saliva secretion, (iii) the need for the periodic Ca(2+) waves to be as fast as possible in order to maximise water transport, (iv) the presence of functional K(+) channels in the apical membrane increases saliva secretion, (v) the relative unimportance of acinar spatial structure for isotonic water transport, (vi) the prediction that duct cells are highly depolarised, (vii) the prediction that the secondary saliva takes at least 1mm (from the acinus) to reach ionic equilibrium. We end with a brief discussion of future directions for the model, both in construction and in the study of scientific questions.

  19. Multiscale modelling in immunology: a review.

    Science.gov (United States)

    Cappuccio, Antonio; Tieri, Paolo; Castiglione, Filippo

    2016-05-01

    One of the greatest challenges in biomedicine is to get a unified view of observations made from the molecular up to the organism scale. Towards this goal, multiscale models have been highly instrumental in contexts such as the cardiovascular field, angiogenesis, neurosciences and tumour biology. More recently, such models are becoming an increasingly important resource to address immunological questions as well. Systematic mining of the literature in multiscale modelling led us to identify three main fields of immunological applications: host-virus interactions, inflammatory diseases and their treatment and development of multiscale simulation platforms for immunological research and for educational purposes. Here, we review the current developments in these directions, which illustrate that multiscale models can consistently integrate immunological data generated at several scales, and can be used to describe and optimize therapeutic treatments of complex immune diseases.

  20. Multiscale Modeling of Hall Thrusters Project

    Data.gov (United States)

    National Aeronautics and Space Administration — New multiscale modeling capability for analyzing advanced Hall thrusters is proposed. This technology offers NASA the ability to reduce development effort of new...

  1. Hierarchical Bass model

    Science.gov (United States)

    Tashiro, Tohru

    2014-03-01

    We propose a new model about diffusion of a product which includes a memory of how many adopters or advertisements a non-adopter met, where (non-)adopters mean people (not) possessing the product. This effect is lacking in the Bass model. As an application, we utilize the model to fit the iPod sales data, and so the better agreement is obtained than the Bass model.

  2. Hierarchical Bass model

    CERN Document Server

    Tashiro, Tohru

    2013-01-01

    We propose a new model about diffusion of a product which includes a memory of how many adopters or advertisements a non-adopter met, where (non-)adopters mean people (not) possessing the product. This effect is lacking in the Bass model. As an application, we utilize the model to fit the iPod sales data, and so the better agreement is obtained than the Bass model.

  3. Hierarchical Cont-Bouchaud model

    CERN Document Server

    Paluch, Robert; Holyst, Janusz A

    2015-01-01

    We extend the well-known Cont-Bouchaud model to include a hierarchical topology of agent's interactions. The influence of hierarchy on system dynamics is investigated by two models. The first one is based on a multi-level, nested Erdos-Renyi random graph and individual decisions by agents according to Potts dynamics. This approach does not lead to a broad return distribution outside a parameter regime close to the original Cont-Bouchaud model. In the second model we introduce a limited hierarchical Erdos-Renyi graph, where merging of clusters at a level h+1 involves only clusters that have merged at the previous level h and we use the original Cont-Bouchaud agent dynamics on resulting clusters. The second model leads to a heavy-tail distribution of cluster sizes and relative price changes in a wide range of connection densities, not only close to the percolation threshold.

  4. Multiscale Model Approach for Magnetization Dynamics Simulations

    CERN Document Server

    De Lucia, Andrea; Tretiakov, Oleg A; Kläui, Mathias

    2016-01-01

    Simulations of magnetization dynamics in a multiscale environment enable rapid evaluation of the Landau-Lifshitz-Gilbert equation in a mesoscopic sample with nanoscopic accuracy in areas where such accuracy is required. We have developed a multiscale magnetization dynamics simulation approach that can be applied to large systems with spin structures that vary locally on small length scales. To implement this, the conventional micromagnetic simulation framework has been expanded to include a multiscale solving routine. The software selectively simulates different regions of a ferromagnetic sample according to the spin structures located within in order to employ a suitable discretization and use either a micromagnetic or an atomistic model. To demonstrate the validity of the multiscale approach, we simulate the spin wave transmission across the regions simulated with the two different models and different discretizations. We find that the interface between the regions is fully transparent for spin waves with f...

  5. Hierarchical model of matching

    Science.gov (United States)

    Pedrycz, Witold; Roventa, Eugene

    1992-01-01

    The issue of matching two fuzzy sets becomes an essential design aspect of many algorithms including fuzzy controllers, pattern classifiers, knowledge-based systems, etc. This paper introduces a new model of matching. Its principal features involve the following: (1) matching carried out with respect to the grades of membership of fuzzy sets as well as some functionals defined on them (like energy, entropy,transom); (2) concepts of hierarchies in the matching model leading to a straightforward distinction between 'local' and 'global' levels of matching; and (3) a distributed character of the model realized as a logic-based neural network.

  6. Multiscale modelling of evolving foams

    Science.gov (United States)

    Saye, R. I.; Sethian, J. A.

    2016-06-01

    We present a set of multi-scale interlinked algorithms to model the dynamics of evolving foams. These algorithms couple the key effects of macroscopic bubble rearrangement, thin film drainage, and membrane rupture. For each of the mechanisms, we construct consistent and accurate algorithms, and couple them together to work across the wide range of space and time scales that occur in foam dynamics. These algorithms include second order finite difference projection methods for computing incompressible fluid flow on the macroscale, second order finite element methods to solve thin film drainage equations in the lamellae and Plateau borders, multiphase Voronoi Implicit Interface Methods to track interconnected membrane boundaries and capture topological changes, and Lagrangian particle methods for conservative liquid redistribution during rearrangement and rupture. We derive a full set of numerical approximations that are coupled via interface jump conditions and flux boundary conditions, and show convergence for the individual mechanisms. We demonstrate our approach by computing a variety of foam dynamics, including coupled evolution of three-dimensional bubble clusters attached to an anchored membrane and collapse of a foam cluster.

  7. Bayesian multi-scale modeling for aggregated disease mapping data.

    Science.gov (United States)

    Aregay, Mehreteab; Lawson, Andrew B; Faes, Christel; Kirby, Russell S

    2015-09-29

    In disease mapping, a scale effect due to an aggregation of data from a finer resolution level to a coarser level is a common phenomenon. This article addresses this issue using a hierarchical Bayesian modeling framework. We propose four different multiscale models. The first two models use a shared random effect that the finer level inherits from the coarser level. The third model assumes two independent convolution models at the finer and coarser levels. The fourth model applies a convolution model at the finer level, but the relative risk at the coarser level is obtained by aggregating the estimates at the finer level. We compare the models using the deviance information criterion (DIC) and Watanabe-Akaike information criterion (WAIC) that are applied to real and simulated data. The results indicate that the models with shared random effects outperform the other models on a range of criteria.

  8. Multiscale modeling of polymer nanocomposites

    Science.gov (United States)

    Sheidaei, Azadeh

    In recent years, polymer nano-composites (PNCs) have increasingly gained more attention due to their improved mechanical, barrier, thermal, optical, electrical and biodegradable properties in comparison with the conventional micro-composites or pristine polymer. With a modest addition of nanoparticles (usually less than 5wt. %), PNCs offer a wide range of improvements in moduli, strength, heat resistance, biodegradability, as well as decrease in gas permeability and flammability. Although PNCs offer enormous opportunities to design novel material systems, development of an effective numerical modeling approach to predict their properties based on their complex multi-phase and multiscale structure is still at an early stage. Developing a computational framework to predict the mechanical properties of PNC is the focus of this dissertation. A computational framework has been developed to predict mechanical properties of polymer nano-composites. In chapter 1, a microstructure inspired material model has been developed based on statistical technique and this technique has been used to reconstruct the microstructure of Halloysite nanotube (HNT) polypropylene composite. This technique also has been used to reconstruct exfoliated Graphene nanoplatelet (xGnP) polymer composite. The model was able to successfully predict the material behavior obtained from experiment. Chapter 2 is the summary of the experimental work to support the numerical work. First, different processing techniques to make the polymer nanocomposites have been reviewed. Among them, melt extrusion followed by injection molding was used to manufacture high density polyethylene (HDPE)---xGnP nanocomposties. Scanning electron microscopy (SEM) also was performed to determine particle size and distribution and to examine fracture surfaces. Particle size was measured from these images and has been used for calculating the probability density function for GNPs in chapter 1. A series of nanoindentation tests have

  9. Multiscale modeling in biomechanics and mechanobiology

    CERN Document Server

    Hwang, Wonmuk; Kuhl, Ellen

    2015-01-01

    Presenting a state-of-the-art overview of theoretical and computational models that link characteristic biomechanical phenomena, this book provides guidelines and examples for creating multiscale models in representative systems and organisms. It develops the reader's understanding of and intuition for multiscale phenomena in biomechanics and mechanobiology, and introduces a mathematical framework and computational techniques paramount to creating predictive multiscale models.   Biomechanics involves the study of the interactions of physical forces with biological systems at all scales – including molecular, cellular, tissue and organ scales. The emerging field of mechanobiology focuses on the way that cells produce and respond to mechanical forces – bridging the science of mechanics with the disciplines of genetics and molecular biology. Linking disparate spatial and temporal scales using computational techniques is emerging as a key concept in investigating some of the complex problems underlying these...

  10. Hierarchical topic modeling with nested hierarchical Dirichlet process

    Institute of Scientific and Technical Information of China (English)

    Yi-qun DING; Shan-ping LI; Zhen ZHANG; Bin SHEN

    2009-01-01

    This paper deals with the statistical modeling of latent topic hierarchies in text corpora. The height of the topic tree is assumed as fixed, while the number of topics on each level as unknown a priori and to be inferred from data. Taking a nonparametric Bayesian approach to this problem, we propose a new probabilistic generative model based on the nested hierarchical Dirichlet process (nHDP) and present a Markov chain Monte Carlo sampling algorithm for the inference of the topic tree structure as welt as the word distribution of each topic and topic distribution of each document. Our theoretical analysis and experiment results show that this model can produce a more compact hierarchical topic structure and captures more free-grained topic relationships compared to the hierarchical latent Dirichlet allocation model.

  11. Developing a novel hierarchical approach for multiscale structural reliability predictions for ultra-high consequence applications.

    Energy Technology Data Exchange (ETDEWEB)

    Emery, John M; Coffin, Peter; Robbins, Brian A; Carroll, Jay; Field, Richard V.,; Yung Suk Jeremy Yoo; Josh Kacher

    2017-09-01

    Microstructural variabilities are among the predominant sources of uncertainty in structural performance and reliability. We seek to develop efficient algorithms for multiscale calcu- lations for polycrystalline alloys such as aluminum alloy 6061-T6 in environments where ductile fracture is the dominant failure mode. Our approach employs concurrent multiscale methods, but does not focus on their development. They are a necessary but not sufficient ingredient to multiscale reliability predictions. We have focused on how to efficiently use concurrent models for forward propagation because practical applications cannot include fine-scale details throughout the problem domain due to exorbitant computational demand. Our approach begins with a low-fidelity prediction at the engineering scale that is sub- sequently refined with multiscale simulation. The results presented in this report focus on plasticity and damage at the meso-scale, efforts to expedite Monte Carlo simulation with mi- crostructural considerations, modeling aspects regarding geometric representation of grains and second-phase particles, and contrasting algorithms for scale coupling.

  12. Multicollinearity in hierarchical linear models.

    Science.gov (United States)

    Yu, Han; Jiang, Shanhe; Land, Kenneth C

    2015-09-01

    This study investigates an ill-posed problem (multicollinearity) in Hierarchical Linear Models from both the data and the model perspectives. We propose an intuitive, effective approach to diagnosing the presence of multicollinearity and its remedies in this class of models. A simulation study demonstrates the impacts of multicollinearity on coefficient estimates, associated standard errors, and variance components at various levels of multicollinearity for finite sample sizes typical in social science studies. We further investigate the role multicollinearity plays at each level for estimation of coefficient parameters in terms of shrinkage. Based on these analyses, we recommend a top-down method for assessing multicollinearity in HLMs that first examines the contextual predictors (Level-2 in a two-level model) and then the individual predictors (Level-1) and uses the results for data collection, research problem redefinition, model re-specification, variable selection and estimation of a final model.

  13. Active Antifogging Property of Monolayer SiO2 Film with Bioinspired Multiscale Hierarchical Pagoda Structures.

    Science.gov (United States)

    Han, Zhiwu; Mu, Zhengzhi; Li, Bo; Wang, Ze; Zhang, Junqiu; Niu, Shichao; Ren, Luquan

    2016-09-27

    Antifogging surfaces with hydrophilic or even superhydrophilic wetting behavior have received significant attention due to their ability to reduce light scattering by film-like condensation. However, a major challenge remains in achieving high-speed antifogging performance and revealing the hydrophilic-based antifogging mechanism of glass or other transparent materials under aggressive fogging conditions. Herein, with inspiration from the fog-free property of the typical Morpho menelaus terrestris butterfly (Butler, 1866) wing scales, a monolayer SiO2 film with multiscale hierarchical pagoda structures (MHPSs) based on glass substrate was designed and fabricated using an optimized biotemplate-assisted wet chemical method without any post-treatments. The biomimetic monolayer film (BMF) composed of nanoscale SiO2 3D networks displayed excellent antifogging properties, which is superior to that of the glass substrate itself. The MHPS-based BMF even kept high transmittance (∼95%) under aggressive fog conditions, and it almost instantaneously recovered to a fog-free state (properties mainly benefit from the synergistic effect of both hydrophilic chemical compositions (nanoscale SiO2) and physical structures (biomimetic MHPSs) of the BMF. High-speed active antifogging performance of the glass materials enabled the retention of a high transmittance property even in humid conditions, heralding reliable optical performance in outdoor practical applications, especially in aggressive foggy environments. More importantly, the investigations in this work offer a promising way to handily design and fabricate quasi-textured surfaces with multiscale hierarchical structures that possess high-performance physicochemical properties.

  14. Multiscale Modeling of Ceramic Matrix Composites

    Science.gov (United States)

    Bednarcyk, Brett A.; Mital, Subodh K.; Pineda, Evan J.; Arnold, Steven M.

    2015-01-01

    Results of multiscale modeling simulations of the nonlinear response of SiC/SiC ceramic matrix composites are reported, wherein the microstructure of the ceramic matrix is captured. This micro scale architecture, which contains free Si material as well as the SiC ceramic, is responsible for residual stresses that play an important role in the subsequent thermo-mechanical behavior of the SiC/SiC composite. Using the novel Multiscale Generalized Method of Cells recursive micromechanics theory, the microstructure of the matrix, as well as the microstructure of the composite (fiber and matrix) can be captured.

  15. Multi-Scale Hierarchical and Topological Design of Structures for Failure Resistance

    Science.gov (United States)

    2013-10-04

    Molecular mechanics of mineralized collagen fibrils in bone, Nature Communications, (04 2013): 0. doi: 10.1038/ncomms2720 TOTAL: 14 (b) Papers published in...multiscale modeling and applications of collagen materials – MURI project funded (start date end of 2009), focused on the design of disruptive fibers...and mats of carbon nanotubes – Keynote/plenary speaker at many conferences and workshops, enabled outreach to academic and technical community

  16. Towards multiscale modeling of influenza infection.

    Science.gov (United States)

    Murillo, Lisa N; Murillo, Michael S; Perelson, Alan S

    2013-09-07

    Aided by recent advances in computational power, algorithms, and higher fidelity data, increasingly detailed theoretical models of infection with influenza A virus are being developed. We review single scale models as they describe influenza infection from intracellular to global scales, and, in particular, we consider those models that capture details specific to influenza and can be used to link different scales. We discuss the few multiscale models of influenza infection that have been developed in this emerging field. In addition to discussing modeling approaches, we also survey biological data on influenza infection and transmission that is relevant for constructing influenza infection models. We envision that, in the future, multiscale models that capitalize on technical advances in experimental biology and high performance computing could be used to describe the large spatial scale epidemiology of influenza infection, evolution of the virus, and transmission between hosts more accurately.

  17. MULTI-SCALE GAUSSIAN PROCESSES MODEL

    Institute of Scientific and Technical Information of China (English)

    Zhou Yatong; Zhang Taiyi; Li Xiaohe

    2006-01-01

    A novel model named Multi-scale Gaussian Processes (MGP) is proposed. Motivated by the ideas of multi-scale representations in the wavelet theory, in the new model, a Gaussian process is represented at a scale by a linear basis that is composed of a scale function and its different translations. Finally the distribution of the targets of the given samples can be obtained at different scales. Compared with the standard Gaussian Processes (GP) model, the MGP model can control its complexity conveniently just by adjusting the scale parameter. So it can trade-off the generalization ability and the empirical risk rapidly. Experiments verify the feasibility of the MGP model, and exhibit that its performance is superior to the GP model if appropriate scales are chosen.

  18. Multiscale information modelling for heart morphogenesis

    Science.gov (United States)

    Abdulla, T.; Imms, R.; Schleich, J. M.; Summers, R.

    2010-07-01

    Science is made feasible by the adoption of common systems of units. As research has become more data intensive, especially in the biomedical domain, it requires the adoption of a common system of information models, to make explicit the relationship between one set of data and another, regardless of format. This is being realised through the OBO Foundry to develop a suite of reference ontologies, and NCBO Bioportal to provide services to integrate biomedical resources and functionality to visualise and create mappings between ontology terms. Biomedical experts tend to be focused at one level of spatial scale, be it biochemistry, cell biology, or anatomy. Likewise, the ontologies they use tend to be focused at a particular level of scale. There is increasing interest in a multiscale systems approach, which attempts to integrate between different levels of scale to gain understanding of emergent effects. This is a return to physiological medicine with a computational emphasis, exemplified by the worldwide Physiome initiative, and the European Union funded Network of Excellence in the Virtual Physiological Human. However, little work has been done on how information modelling itself may be tailored to a multiscale systems approach. We demonstrate how this can be done for the complex process of heart morphogenesis, which requires multiscale understanding in both time and spatial domains. Such an effort enables the integration of multiscale metrology.

  19. Mechanical Properties of Graphene Nanoplatelet/Carbon Fiber/Epoxy Hybrid Composites: Multiscale Modeling and Experiments

    Science.gov (United States)

    Hadden, C. M.; Klimek-McDonald, D. R.; Pineda, E. J.; King, J. A.; Reichanadter, A. M.; Miskioglu, I.; Gowtham, S.; Odegard, G. M.

    2015-01-01

    Because of the relatively high specific mechanical properties of carbon fiber/epoxy composite materials, they are often used as structural components in aerospace applications. Graphene nanoplatelets (GNPs) can be added to the epoxy matrix to improve the overall mechanical properties of the composite. The resulting GNP/carbon fiber/epoxy hybrid composites have been studied using multiscale modeling to determine the influence of GNP volume fraction, epoxy crosslink density, and GNP dispersion on the mechanical performance. The hierarchical multiscale modeling approach developed herein includes Molecular Dynamics (MD) and micromechanical modeling, and it is validated with experimental testing of the same hybrid composite material system. The results indicate that the multiscale modeling approach is accurate and provides physical insight into the composite mechanical behavior. Also, the results quantify the substantial impact of GNP volume fraction and dispersion on the transverse mechanical properties of the hybrid composite, while the effect on the axial properties is shown to be insignificant.

  20. Mechanical Properties of Graphene Nanoplatelet Carbon Fiber Epoxy Hybrid Composites: Multiscale Modeling and Experiments

    Science.gov (United States)

    Hadden, Cameron M.; Klimek-McDonald, Danielle R.; Pineda, Evan J.; King, Julie A.; Reichanadter, Alex M.; Miskioglu, Ibrahim; Gowtham, S.; Odegard, Gregory M.

    2015-01-01

    Because of the relatively high specific mechanical properties of carbon fiber/epoxy composite materials, they are often used as structural components in aerospace applications. Graphene nanoplatelets (GNPs) can be added to the epoxy matrix to improve the overall mechanical properties of the composite. The resulting GNP/carbon fiber/epoxy hybrid composites have been studied using multiscale modeling to determine the influence of GNP volume fraction, epoxy crosslink density, and GNP dispersion on the mechanical performance. The hierarchical multiscale modeling approach developed herein includes Molecular Dynamics (MD) and micromechanical modeling, and it is validated with experimental testing of the same hybrid composite material system. The results indicate that the multiscale modeling approach is accurate and provides physical insight into the composite mechanical behavior. Also, the results quantify the substantial impact of GNP volume fraction and dispersion on the transverse mechanical properties of the hybrid composite, while the effect on the axial properties is shown to be insignificant.

  1. Multiscale Models of Melting Arctic Sea Ice

    Science.gov (United States)

    2014-09-30

    1 Multiscale Models of Melting Arctic Sea Ice Kenneth M. Golden University of Utah, Department of Mathematics phone: (801) 581-6851...feedback has played a major role in the recent declines of the summer Arctic sea ice pack. However, understanding the evolution of melt ponds and sea...Models of Melting Arctic Sea Ice 5a. CONTRACT NUMBER 5b. GRANT NUMBER 5c. PROGRAM ELEMENT NUMBER 6. AUTHOR(S) 5d. PROJECT NUMBER 5e. TASK NUMBER

  2. A Model of Hierarchical Key Assignment Scheme

    Institute of Scientific and Technical Information of China (English)

    ZHANG Zhigang; ZHAO Jing; XU Maozhi

    2006-01-01

    A model of the hierarchical key assignment scheme is approached in this paper, which can be used with any cryptography algorithm. Besides, the optimal dynamic control property of a hierarchical key assignment scheme will be defined in this paper. Also, our scheme model will meet this property.

  3. Multiscale Model Reduction with Generalized Multiscale Finite Element Methods in Geomathematics

    KAUST Repository

    Efendiev, Yalchin R.

    2015-09-02

    In this chapter, we discuss multiscale model reduction using Generalized Multiscale Finite Element Methods (GMsFEM) in a number of geomathematical applications. GMsFEM has been recently introduced (Efendiev et al. 2012) and applied to various problems. In the current chapter, we consider some of these applications and outline the basic methodological concepts.

  4. Bayesian Multiscale Modeling of Closed Curves in Point Clouds.

    Science.gov (United States)

    Gu, Kelvin; Pati, Debdeep; Dunson, David B

    2014-10-01

    Modeling object boundaries based on image or point cloud data is frequently necessary in medical and scientific applications ranging from detecting tumor contours for targeted radiation therapy, to the classification of organisms based on their structural information. In low-contrast images or sparse and noisy point clouds, there is often insufficient data to recover local segments of the boundary in isolation. Thus, it becomes critical to model the entire boundary in the form of a closed curve. To achieve this, we develop a Bayesian hierarchical model that expresses highly diverse 2D objects in the form of closed curves. The model is based on a novel multiscale deformation process. By relating multiple objects through a hierarchical formulation, we can successfully recover missing boundaries by borrowing structural information from similar objects at the appropriate scale. Furthermore, the model's latent parameters help interpret the population, indicating dimensions of significant structural variability and also specifying a 'central curve' that summarizes the collection. Theoretical properties of our prior are studied in specific cases and efficient Markov chain Monte Carlo methods are developed, evaluated through simulation examples and applied to panorex teeth images for modeling teeth contours and also to a brain tumor contour detection problem.

  5. Multiscale approach to description of deformation and fracture of brittle media with hierarchical porous structure on the basis of movable cellular automaton method

    Directory of Open Access Journals (Sweden)

    S. G. Psakhie

    2013-04-01

    Full Text Available An approach to multiscale description of deformation and fracture of brittle porous materials on the basis of movable cellular automaton method was proposed. The material characterized by pore size distribution function having two maxima was considered. The core of the proposed approach consists in finding the automaton effective response function by means of direct numerical simulation of representative volume of the porous material. A hierarchical two-scale model of mechanical behavior of ceramics under compression and shear loading was developed. Zirconia based ceramics with pore size greater than the average grain size was considered. At the first scale of the model only small pores (corresponding to the first maximum of the pore size distribution function were taking into account explicitly (by removing automata from the initial structure. The representative volume and effective elastic properties of the porous material at this scale were evaluated. At the second scale of the model, big pores were taking into account explicitly, the parameters of the matrix corresponded to the ones determined at the first scale. Simulation results showed that the proposed multiscale model allows qualitatively and quantitatively correct describing of deformation and fracture of brittle material with hierarchical porous structure.

  6. Stretchable conducting materials with multi-scale hierarchical structures for biomedical applications

    Science.gov (United States)

    Kim, Hyun; Shim, Bong Sup

    2014-08-01

    Electrogenetic tissues in human body such as central and peripheral nerve systems, muscular and cardiomuscular systems are soft and stretchable materials. However, most of the artificial materials, interfacing with those conductive tissues, such as neural electrodes and cardiac pacemakers, have stiff mechanical properties. The rather contradictory properties between natural and artificial materials usually cause critical incompatibility problems in implanting bodymachine interfaces for wide ranges of biomedical devices. Thus, we developed a stretchable and electrically conductive material with complex hierarchical structures; multi-scale microstructures and nanostructural electrical pathways. For biomedical purposes, an implantable polycaprolactone (PCL) membrane was coated by molecularly controlled layer-bylayer (LBL) assembly of single-walled carbon nanotubes (SWNTs) or poly(3,4-ethylenedioxythiophene) (PEDOT). The soft PCL membrane with asymmetric micro- and nano-pores provides elastic properties, while conductive SWNT or PEDOT coating preserves stable electrical conductivity even in a fully stretched state. This electrical conductivity enhanced ionic cell transmission and cell-to-cell interactions as well as electrical cellular stimulation on the membrane. Our novel stretchable conducting materials will overcome long-lasting challenges for bioelectronic applications by significantly reducing mechanical property gaps between tissues and artificial materials and by providing 3D interconnected electro-active pathways which can be available even at a fully stretched state.

  7. Hierarchical multiscale mechanism development for methane partial oxidation and reforming and for thermal decomposition of oxygenates on Rh.

    Science.gov (United States)

    Mhadeshwar, A B; Vlachos, D G

    2005-09-08

    A thermodynamically consistent C1 microkinetic model is developed for methane partial oxidation and reforming and for oxygenate (methanol and formaldehyde) decomposition on Rh via a hierarchical multiscale methodology. Sensitivity analysis is employed to identify the important parameters of the semiempirical unity bond index quadratic exponential potential (UBI-QEP) method and these parameters are refined using quantum mechanical density functional theory. With adjustment of only two pre-exponentials in the CH4 oxidation subset, the C1 mechanism captures a multitude of catalytic partial oxidation (CPOX) and reforming experimental data as well as thermal decomposition of methanol and formaldehyde. We validate the microkinetic model against high-pressure, spatially resolved CPOX experimental data. Distinct oxidation and reforming zones are predicted to exist, in agreement with experiments, suggesting that hydrogen is produced from reforming of methane by H2O formed in the oxidation zone. CO is produced catalytically by partial oxidation up to moderately high pressures, with water-gas shift taking place in the gas-phase at sufficiently high pressures resulting in reduction of CO selectivity.

  8. HIERARCHICAL OPTIMIZATION MODEL ON GEONETWORK

    Directory of Open Access Journals (Sweden)

    Z. Zha

    2012-07-01

    Full Text Available In existing construction experience of Spatial Data Infrastructure (SDI, GeoNetwork, as the geographical information integrated solution, is an effective way of building SDI. During GeoNetwork serving as an internet application, several shortcomings are exposed. The first one is that the time consuming of data loading has been considerately increasing with the growth of metadata count. Consequently, the efficiency of query and search service becomes lower. Another problem is that stability and robustness are both ruined since huge amount of metadata. The final flaw is that the requirements of multi-user concurrent accessing based on massive data are not effectively satisfied on the internet. A novel approach, Hierarchical Optimization Model (HOM, is presented to solve the incapability of GeoNetwork working with massive data in this paper. HOM optimizes the GeoNetwork from these aspects: internal procedure, external deployment strategies, etc. This model builds an efficient index for accessing huge metadata and supporting concurrent processes. In this way, the services based on GeoNetwork can maintain stable while running massive metadata. As an experiment, we deployed more than 30 GeoNetwork nodes, and harvest nearly 1.1 million metadata. From the contrast between the HOM-improved software and the original one, the model makes indexing and retrieval processes more quickly and keeps the speed stable on metadata amount increasing. It also shows stable on multi-user concurrent accessing to system services, the experiment achieved good results and proved that our optimization model is efficient and reliable.

  9. Multiscale Modeling of Graphite/CNT/Epoxy Hybrid Composites

    Science.gov (United States)

    2016-03-09

    AFRL-AFOSR-VA-TR-2016-0154 Multiscale Modeling of Graphite/CNT/Epoxy Hybrid Composites Gregory Odegard MICHIGAN TECHNOLOGICAL UNIVERSITY Final Report...SUBTITLE Multiscale Modeling of Graphite/CNT/Epoxy Hybrid Composites 5a. CONTRACT NUMBER 5b. GRANT NUMBER FA9550-13-1-0030 5c. PROGRAM ELEMENT NUMBER...DISTRIBUTION A: Distribution approved for public release. Final Report Multiscale Modeling of Graphite/CNT/Epoxy Hybrid Composites Grant FA9550-13-1-0030 PI

  10. Bio-inspired hierarchical self-assembly of nanotubes into multi-dimensional and multi-scale structures

    Science.gov (United States)

    Liu, Yong; Gao, Yuan; Lu, Qinghua; Zhou, Yongfeng; Yan, Deyue

    2011-12-01

    As inspired from nature's strategy to prepare collagen, herein we report a hierarchical solution self-assembly method to prepare multi-dimensional and multi-scale supra-structures from the building blocks of pristine titanate nanotubes (TNTs) around 10 nm. With the help of amylose, the nanotubes was continuously self-assembled into helically wrapped TNTs, highly aligned fibres, large bundles, 2D crystal facets and 3D core-shell hybrid crystals. The amyloses work as the glue molecules to drive and direct the hierarchical self-assembly process extending from microscopic to macroscopic scale. The whole self-assembly process as well as the self-assembly structures were carefully characterized by the combination methods of 1H NMR, CD, Hr-SEM, AFM, Hr-TEM, SAED pattern and EDX measurements. A hierarchical self-assembly mechanism was also proposed.As inspired from nature's strategy to prepare collagen, herein we report a hierarchical solution self-assembly method to prepare multi-dimensional and multi-scale supra-structures from the building blocks of pristine titanate nanotubes (TNTs) around 10 nm. With the help of amylose, the nanotubes was continuously self-assembled into helically wrapped TNTs, highly aligned fibres, large bundles, 2D crystal facets and 3D core-shell hybrid crystals. The amyloses work as the glue molecules to drive and direct the hierarchical self-assembly process extending from microscopic to macroscopic scale. The whole self-assembly process as well as the self-assembly structures were carefully characterized by the combination methods of 1H NMR, CD, Hr-SEM, AFM, Hr-TEM, SAED pattern and EDX measurements. A hierarchical self-assembly mechanism was also proposed. Electronic supplementary information (ESI) available: Characterization of the A/TNTs and TNT crystals. See DOI: 10.1039/c1nr11151e

  11. Multiscale mathematical modeling and simulation of cellular dynamical process.

    Science.gov (United States)

    Nakaoka, Shinji

    2014-01-01

    Epidermal homeostasis is maintained by dynamic interactions among molecules and cells at different spatiotemporal scales. Mathematical modeling and simulation is expected to provide clear understanding and precise description of multiscaleness in tissue homeostasis under systems perspective. We introduce a stochastic process-based description of multiscale dynamics. Agent-based modeling as a framework of multiscale modeling to achieve consistent integration of definitive subsystems is proposed. A newly developed algorithm that particularly aims to perform stochastic simulations of cellular dynamical process is introduced. Finally we review applications of multiscale modeling and quantitative study to important aspects of epidermal and epithelial homeostasis.

  12. Hierarchical modeling and analysis for spatial data

    CERN Document Server

    Banerjee, Sudipto; Gelfand, Alan E

    2003-01-01

    Among the many uses of hierarchical modeling, their application to the statistical analysis of spatial and spatio-temporal data from areas such as epidemiology And environmental science has proven particularly fruitful. Yet to date, the few books that address the subject have been either too narrowly focused on specific aspects of spatial analysis, or written at a level often inaccessible to those lacking a strong background in mathematical statistics.Hierarchical Modeling and Analysis for Spatial Data is the first accessible, self-contained treatment of hierarchical methods, modeling, and dat

  13. Multiscale modeling with smoothed dissipative particle dynamics.

    Science.gov (United States)

    Kulkarni, Pandurang M; Fu, Chia-Chun; Shell, M Scott; Leal, L Gary

    2013-06-21

    In this work, we consider two issues related to the use of Smoothed Dissipative Particle Dynamics (SDPD) as an intermediate mesoscale model in a multiscale scheme for solution of flow problems when there are local parts of a macroscopic domain that require molecular resolution. The first is to demonstrate that SDPD with different levels of resolution can accurately represent the fluid properties from the continuum scale all the way to the molecular scale. Specifically, while the thermodynamic quantities such as temperature, pressure, and average density remain scale-invariant, we demonstrate that the dynamic properties are quantitatively consistent with an all-atom Lennard-Jones reference system when the SDPD resolution approaches the atomistic scale. This supports the idea that SDPD can serve as a natural bridge between molecular and continuum descriptions. In the second part, a simple multiscale methodology is proposed within the SDPD framework that allows several levels of resolution within a single domain. Each particle is characterized by a unique physical length scale called the smoothing length, which is inversely related to the local number density and can change on-the-fly. This multiscale methodology is shown to accurately reproduce fluid properties for the simple problem of steady and transient shear flow.

  14. PDF-based heterogeneous multiscale filtration model.

    Science.gov (United States)

    Gong, Jian; Rutland, Christopher J

    2015-04-21

    Motivated by modeling of gasoline particulate filters (GPFs), a probability density function (PDF) based heterogeneous multiscale filtration (HMF) model is developed to calculate filtration efficiency of clean particulate filters. A new methodology based on statistical theory and classic filtration theory is developed in the HMF model. Based on the analysis of experimental porosimetry data, a pore size probability density function is introduced to represent heterogeneity and multiscale characteristics of the porous wall. The filtration efficiency of a filter can be calculated as the sum of the contributions of individual collectors. The resulting HMF model overcomes the limitations of classic mean filtration models which rely on tuning of the mean collector size. Sensitivity analysis shows that the HMF model recovers the classical mean model when the pore size variance is very small. The HMF model is validated by fundamental filtration experimental data from different scales of filter samples. The model shows a good agreement with experimental data at various operating conditions. The effects of the microstructure of filters on filtration efficiency as well as the most penetrating particle size are correctly predicted by the model.

  15. A Model for Slicing JAVA Programs Hierarchically

    Institute of Scientific and Technical Information of China (English)

    Bi-Xin Li; Xiao-Cong Fan; Jun Pang; Jian-Jun Zhao

    2004-01-01

    Program slicing can be effectively used to debug, test, analyze, understand and maintain objectoriented software. In this paper, a new slicing model is proposed to slice Java programs based on their inherent hierarchical feature. The main idea of hierarchical slicing is to slice programs in a stepwise way, from package level, to class level, method level, and finally up to statement level. The stepwise slicing algorithm and the related graph reachability algorithms are presented, the architecture of the Java program Analyzing Tool (JATO) based on hierarchical slicing model is provided, the applications and a small case study are also discussed.

  16. When to Use Hierarchical Linear Modeling

    National Research Council Canada - National Science Library

    Veronika Huta

    2014-01-01

    Previous publications on hierarchical linear modeling (HLM) have provided guidance on how to perform the analysis, yet there is relatively little information on two questions that arise even before analysis...

  17. An introduction to hierarchical linear modeling

    National Research Council Canada - National Science Library

    Woltman, Heather; Feldstain, Andrea; MacKay, J. Christine; Rocchi, Meredith

    2012-01-01

    This tutorial aims to introduce Hierarchical Linear Modeling (HLM). A simple explanation of HLM is provided that describes when to use this statistical technique and identifies key factors to consider before conducting this analysis...

  18. Conservation Laws in the Hierarchical Model

    NARCIS (Netherlands)

    Beijeren, H. van; Gallavotti, G.; Knops, H.

    1974-01-01

    An exposition of the renormalization-group equations for the hierarchical model is given. Attention is drawn to some properties of the spin distribution functions which are conserved under the action of the renormalization group.

  19. Fast Multiscale Reservoir Simulations using POD-DEIM Model Reduction

    KAUST Repository

    Ghasemi, Mohammadreza

    2015-02-23

    In this paper, we present a global-local model reduction for fast multiscale reservoir simulations in highly heterogeneous porous media with applications to optimization and history matching. Our proposed approach identifies a low dimensional structure of the solution space. We introduce an auxiliary variable (the velocity field) in our model reduction that allows achieving a high degree of model reduction. The latter is due to the fact that the velocity field is conservative for any low-order reduced model in our framework. Because a typical global model reduction based on POD is a Galerkin finite element method, and thus it can not guarantee local mass conservation. This can be observed in numerical simulations that use finite volume based approaches. Discrete Empirical Interpolation Method (DEIM) is used to approximate the nonlinear functions of fine-grid functions in Newton iterations. This approach allows achieving the computational cost that is independent of the fine grid dimension. POD snapshots are inexpensively computed using local model reduction techniques based on Generalized Multiscale Finite Element Method (GMsFEM) which provides (1) a hierarchical approximation of snapshot vectors (2) adaptive computations by using coarse grids (3) inexpensive global POD operations in a small dimensional spaces on a coarse grid. By balancing the errors of the global and local reduced-order models, our new methodology can provide an error bound in simulations. Our numerical results, utilizing a two-phase immiscible flow, show a substantial speed-up and we compare our results to the standard POD-DEIM in finite volume setup.

  20. Classification using Hierarchical Naive Bayes models

    DEFF Research Database (Denmark)

    Langseth, Helge; Dyhre Nielsen, Thomas

    2006-01-01

    Classification problems have a long history in the machine learning literature. One of the simplest, and yet most consistently well-performing set of classifiers is the Naïve Bayes models. However, an inherent problem with these classifiers is the assumption that all attributes used to describe...... an instance are conditionally independent given the class of that instance. When this assumption is violated (which is often the case in practice) it can reduce classification accuracy due to “information double-counting” and interaction omission. In this paper we focus on a relatively new set of models......, termed Hierarchical Naïve Bayes models. Hierarchical Naïve Bayes models extend the modeling flexibility of Naïve Bayes models by introducing latent variables to relax some of the independence statements in these models. We propose a simple algorithm for learning Hierarchical Naïve Bayes models...

  1. Systematic Multiscale Modeling of Polymers

    Science.gov (United States)

    Faller, Roland; Huang, David; Bayramoglu, Beste; Moule, Adam

    2011-03-01

    The systematic coarse-graining of heterogeneous soft matter systems is an area of current research. We show how the Iterative Boltzmann Inversion systematically develops models for polymers in different environments. We present the scheme and a few applications. We study polystyrene in various environments and compare the different models from the melt, the solution and polymer brushes to validate accuracy and efficiency. We then apply the technique to a complex system needed as active layer in polymer-based solar cells. Nano-scale morphological information is difficult to obtain experimentally. On the other hand, atomistic computer simulations are only feasible to studying systems not much larger than an exciton diffusion length. Thus, we develop a coarse-grained (CG) simulation model, in which collections of atoms from an atomistic model are mapped onto a smaller number of ``superatoms.'' We study mixtures of poly(3-hexylthiophene) and C60 . By comparing the results of atomistic and CG simulations, we demonstrate that the model, parametrized at one temperature and two mixture compositions, accurately reproduces the system structure at other points of the phase diagram. We use the CG model to characterize the microstructure as a function of polymer:fullerene mole fraction and polymer chain length for systems approaching the scale of photovoltaic devices.

  2. Development of Improved Algorithms and Multiscale Modeling Capability with SUNTANS

    Science.gov (United States)

    2015-09-30

    High-resolution simulations using nonhydrostatic models like SUNTANS are crucial for understanding multiscale processes that are unresolved, and...1 DISTRIBUTION STATEMENT A. Approved for public release; distribution is unlimited. Development of Improved Algorithms and Multiscale ... Modeling Capability with SUNTANS Oliver B. Fringer 473 Via Ortega, Room 187 Dept. of Civil and Environmental Engineering Stanford University

  3. Multiscale Stochastic Simulation and Modeling

    Energy Technology Data Exchange (ETDEWEB)

    James Glimm; Xiaolin Li

    2006-01-10

    Acceleration driven instabilities of fluid mixing layers include the classical cases of Rayleigh-Taylor instability, driven by a steady acceleration and Richtmyer-Meshkov instability, driven by an impulsive acceleration. Our program starts with high resolution methods of numerical simulation of two (or more) distinct fluids, continues with analytic analysis of these solutions, and the derivation of averaged equations. A striking achievement has been the systematic agreement we obtained between simulation and experiment by using a high resolution numerical method and improved physical modeling, with surface tension. Our study is accompanies by analysis using stochastic modeling and averaged equations for the multiphase problem. We have quantified the error and uncertainty using statistical modeling methods.

  4. Analysis hierarchical model for discrete event systems

    Science.gov (United States)

    Ciortea, E. M.

    2015-11-01

    The This paper presents the hierarchical model based on discrete event network for robotic systems. Based on the hierarchical approach, Petri network is analysed as a network of the highest conceptual level and the lowest level of local control. For modelling and control of complex robotic systems using extended Petri nets. Such a system is structured, controlled and analysed in this paper by using Visual Object Net ++ package that is relatively simple and easy to use, and the results are shown as representations easy to interpret. The hierarchical structure of the robotic system is implemented on computers analysed using specialized programs. Implementation of hierarchical model discrete event systems, as a real-time operating system on a computer network connected via a serial bus is possible, where each computer is dedicated to local and Petri model of a subsystem global robotic system. Since Petri models are simplified to apply general computers, analysis, modelling, complex manufacturing systems control can be achieved using Petri nets. Discrete event systems is a pragmatic tool for modelling industrial systems. For system modelling using Petri nets because we have our system where discrete event. To highlight the auxiliary time Petri model using transport stream divided into hierarchical levels and sections are analysed successively. Proposed robotic system simulation using timed Petri, offers the opportunity to view the robotic time. Application of goods or robotic and transmission times obtained by measuring spot is obtained graphics showing the average time for transport activity, using the parameters sets of finished products. individually.

  5. Multiscale Modeling with Carbon Nanotubes

    Energy Technology Data Exchange (ETDEWEB)

    Maiti, A

    2006-02-21

    Technologically important nanomaterials come in all shapes and sizes. They can range from small molecules to complex composites and mixtures. Depending upon the spatial dimensions of the system and properties under investigation computer modeling of such materials can range from equilibrium and nonequilibrium Quantum Mechanics, to force-field-based Molecular Mechanics and kinetic Monte Carlo, to Mesoscale simulation of evolving morphology, to Finite-Element computation of physical properties. This brief review illustrates some of the above modeling techniques through a number of recent applications with carbon nanotubes: nano electromechanical sensors (NEMS), chemical sensors, metal-nanotube contacts, and polymer-nanotube composites.

  6. Multiscale Modeling of supported bilayers

    Science.gov (United States)

    Faller, Roland; Xing, Chenyue; Hoopes, Matthew I.

    2009-03-01

    Supported Lipid Bilayers are an abundant research platform for understanding the behavior of real cell membranes as they allow for additional mechanical stability. We studied systematically the changes that a support induces on a phospholipid bilayer using coarse-grained molecular modeling on different levels. We characterize the density and pressure profiles as well as the density imbalance inflicted on the membrane by the support. We also determine the diffusion coefficients and characterize the influence of different corrugations of the support. We then determine the free energy of transfer of phospholipids between the proximal and distal leaflet of a supported membrane using the coarse-grained Martini model. It turns out that there is at equilibrium about a 2-3% higher density in the proximal leaflet. These results are in favorable agreement with recent data obtained by very large scale modeling using a water free model where flip-flop can be observed directly. We compare results of the free energy of transfer obtained by pulling the lipid across the membrane in different ways. There are small quantitative differences but the overall picture is consistent. We are additionally characterizing the intermediate states which determine the barrier height and therefore the rate of translocation.

  7. Concurrent multiscale modeling of amorphous materials

    Science.gov (United States)

    Tan, Vincent

    2013-03-01

    An approach to multiscale modeling of amorphous materials is presented whereby atomistic scale domains coexist with continuum-like domains. The atomistic domains faithfully predict severe deformation while the continuum domains allow the computation to scale up the size of the model without incurring excessive computational costs associated with fully atomistic models and without the introduction of spurious forces across the boundary of atomistic and continuum-like domains. The material domain is firstly constructed as a tessellation of Amorphous Cells (AC). For regions of small deformation, the number of degrees of freedom is then reduced by computing the displacements of only the vertices of the ACs instead of the atoms within. This is achieved by determining, a priori, the atomistic displacements within such Pseudo Amorphous Cells associated with orthogonal deformation modes of the cell. Simulations of nanoscale polymer tribology using full molecular mechanics computation and our multiscale approach give almost identical prediction of indentation force and the strain contours of the polymer. We further demonstrate the capability of performing adaptive simulations during which domains that were discretized into cells revert to full atomistic domains when their strain attain a predetermined threshold. The authors would like to acknowledge the financial support given to this study by the Agency of Science, Technology and Research (ASTAR), Singapore (SERC Grant No. 092 137 0013).

  8. Three-Dimensional, Multi-scale, and Multi-variance Dispersivity Upscaling for Hierarchical Sedimentary Deposit using Parallel Computing

    Science.gov (United States)

    Zhang, M.; Zhang, Y.; Lichtner, P. C.

    2013-12-01

    /tailing behavior of the FHM can generally be captured by the HSMs. At all the variances tested, the 8-unit upscaled model is always the most accurate. When the variance is low to moderate, this model can provide accurate to adequate predictions of all the FHM plume moments. In addition, upscaled dispersivities computed with the stochastic versus deterministic techniques yield similar solute predictions, which suggest that in this analysis, an ergodic transport regime has emerged. However, when the variance of ln(k) increases to 4.5, the upscaled dispersivities predicted by the stochastic methods result in significant upstream dispersion that is nonphysical. In this case, the HSMs cannot capture the FHM plume moments for the given ln(K) variance. In summary, simulation results suggest that the upscaling dispersivity can be used to accurately capture solute transport in low ln(K) variance systems but fails to describe the solute motion if system variance is high. Reference: Mingkan Zhang, and Ye Zhang, Multiscale, Multi-variance Dispersivity Upscaling for A Three-Dimensional Hierarchical Aquifer: Developing and Testing a Parallel Random Walk Method with a Drift Term in the Dispersion Tensor, Water Resources Research, in preparation.

  9. An analysis platform for multiscale hydrogeologic modeling with emphasis on hybrid multiscale methods.

    Science.gov (United States)

    Scheibe, Timothy D; Murphy, Ellyn M; Chen, Xingyuan; Rice, Amy K; Carroll, Kenneth C; Palmer, Bruce J; Tartakovsky, Alexandre M; Battiato, Ilenia; Wood, Brian D

    2015-01-01

    One of the most significant challenges faced by hydrogeologic modelers is the disparity between the spatial and temporal scales at which fundamental flow, transport, and reaction processes can best be understood and quantified (e.g., microscopic to pore scales and seconds to days) and at which practical model predictions are needed (e.g., plume to aquifer scales and years to centuries). While the multiscale nature of hydrogeologic problems is widely recognized, technological limitations in computation and characterization restrict most practical modeling efforts to fairly coarse representations of heterogeneous properties and processes. For some modern problems, the necessary level of simplification is such that model parameters may lose physical meaning and model predictive ability is questionable for any conditions other than those to which the model was calibrated. Recently, there has been broad interest across a wide range of scientific and engineering disciplines in simulation approaches that more rigorously account for the multiscale nature of systems of interest. In this article, we review a number of such approaches and propose a classification scheme for defining different types of multiscale simulation methods and those classes of problems to which they are most applicable. Our classification scheme is presented in terms of a flowchart (Multiscale Analysis Platform), and defines several different motifs of multiscale simulation. Within each motif, the member methods are reviewed and example applications are discussed. We focus attention on hybrid multiscale methods, in which two or more models with different physics described at fundamentally different scales are directly coupled within a single simulation. Very recently these methods have begun to be applied to groundwater flow and transport simulations, and we discuss these applications in the context of our classification scheme. As computational and characterization capabilities continue to improve

  10. Institute for Multiscale Modeling of Biological Interactions

    Energy Technology Data Exchange (ETDEWEB)

    Paulaitis, Michael E; Garcia-Moreno, Bertrand; Lenhoff, Abraham

    2009-12-26

    The Institute for Multiscale Modeling of Biological Interactions (IMMBI) has two primary goals: Foster interdisciplinary collaborations among faculty and their research laboratories that will lead to novel applications of multiscale simulation and modeling methods in the biological sciences and engineering; and Building on the unique biophysical/biology-based engineering foundations of the participating faculty, train scientists and engineers to apply computational methods that collectively span multiple time and length scales of biological organization. The success of IMMBI will be defined by the following: Size and quality of the applicant pool for pre-doctoral and post-doctoral fellows; Academic performance; Quality of the pre-doctoral and post-doctoral research; Impact of the research broadly and to the DOE (ASCR program) mission; Distinction of the next career step for pre-doctoral and post-doctoral fellows; and Faculty collaborations that result from IMMBI activities. Specific details about accomplishments during the three years of DOE support for IMMBI have been documented in Annual Progress Reports (April 2005, June 2006, and March 2007) and a Report for a National Academy of Sciences Review (October 2005) that were submitted to DOE on the dates indicated. An overview of these accomplishments is provided.

  11. Multiscale Modeling of Microbial Communities

    Science.gov (United States)

    Blanchard, Andrew

    Although bacteria are single-celled organisms, they exist in nature primarily in the form of complex communities, participating in a vast array of social interactions through regulatory gene networks. The social interactions between individual cells drive the emergence of community structures, resulting in an intricate relationship across multiple spatiotemporal scales. Here, I present my work towards developing and applying the tools necessary to model the complex dynamics of bacterial communities. In Chapter 2, I utilize a reaction-diffusion model to determine the population dynamics for a population with two species. One species (CDI+) utilizes contact dependent inhibition to kill the other sensitive species (CDI-). The competition can produce diverse patterns, including extinction, coexistence, and localized aggregation. The emergence, relative abundance, and characteristic features of these patterns are collectively determined by the competitive benefit of CDI and its growth disadvantage for a given rate of population diffusion. The results provide a systematic and statistical view of CDI-based bacterial population competition, expanding the spectrum of our knowledge about CDI systems and possibly facilitating new experimental tests for a deeper understanding of bacterial interactions. In the following chapter, I present a systematic computational survey on the relationship between social interaction types and population structures for two-species communities by developing and utilizing a hybrid computational framework that combines discrete element techniques with reaction-diffusion equations. The impact of deleterious and beneficial interactions on the community are quantified. Deleterious interactions generate an increased variance in relative abundance, a drastic decrease in surviving lineages, and a rough expanding front. In contrast, beneficial interactions contribute to a reduced variance in relative abundance, an enhancement in lineage number, and a

  12. Variational multiscale models for charge transport.

    Science.gov (United States)

    Wei, Guo-Wei; Zheng, Qiong; Chen, Zhan; Xia, Kelin

    2012-01-01

    This work presents a few variational multiscale models for charge transport in complex physical, chemical and biological systems and engineering devices, such as fuel cells, solar cells, battery cells, nanofluidics, transistors and ion channels. An essential ingredient of the present models, introduced in an earlier paper (Bulletin of Mathematical Biology, 72, 1562-1622, 2010), is the use of differential geometry theory of surfaces as a natural means to geometrically separate the macroscopic domain from the microscopic domain, meanwhile, dynamically couple discrete and continuum descriptions. Our main strategy is to construct the total energy functional of a charge transport system to encompass the polar and nonpolar free energies of solvation, and chemical potential related energy. By using the Euler-Lagrange variation, coupled Laplace-Beltrami and Poisson-Nernst-Planck (LB-PNP) equations are derived. The solution of the LB-PNP equations leads to the minimization of the total free energy, and explicit profiles of electrostatic potential and densities of charge species. To further reduce the computational complexity, the Boltzmann distribution obtained from the Poisson-Boltzmann (PB) equation is utilized to represent the densities of certain charge species so as to avoid the computationally expensive solution of some Nernst-Planck (NP) equations. Consequently, the coupled Laplace-Beltrami and Poisson-Boltzmann-Nernst-Planck (LB-PBNP) equations are proposed for charge transport in heterogeneous systems. A major emphasis of the present formulation is the consistency between equilibrium LB-PB theory and non-equilibrium LB-PNP theory at equilibrium. Another major emphasis is the capability of the reduced LB-PBNP model to fully recover the prediction of the LB-PNP model at non-equilibrium settings. To account for the fluid impact on the charge transport, we derive coupled Laplace-Beltrami, Poisson-Nernst-Planck and Navier-Stokes equations from the variational principle

  13. Semiparametric Quantile Modelling of Hierarchical Data

    Institute of Scientific and Technical Information of China (English)

    Mao Zai TIAN; Man Lai TANG; Ping Shing CHAN

    2009-01-01

    The classic hierarchical linear model formulation provides a considerable flexibility for modelling the random effects structure and a powerful tool for analyzing nested data that arise in various areas such as biology, economics and education. However, it assumes the within-group errors to be independently and identically distributed (i.i.d.) and models at all levels to be linear. Most importantly, traditional hierarchical models (just like other ordinary mean regression methods) cannot characterize the entire conditional distribution of a dependent variable given a set of covariates and fail to yield robust estimators. In this article, we relax the aforementioned and normality assumptions, and develop a so-called Hierarchical Semiparametric Quantile Regression Models in which the within-group errors could be heteroscedastic and models at some levels are allowed to be nonparametric. We present the ideas with a 2-level model. The level-l model is specified as a nonparametric model whereas level-2 model is set as a parametric model. Under the proposed semiparametric setting the vector of partial derivatives of the nonparametric function in level-1 becomes the response variable vector in level 2. The proposed method allows us to model the fixed effects in the innermost level (i.e., level 2) as a function of the covariates instead of a constant effect. We outline some mild regularity conditions required for convergence and asymptotic normality for our estimators. We illustrate our methodology with a real hierarchical data set from a laboratory study and some simulation studies.

  14. Hierarchical linear regression models for conditional quantiles

    Institute of Scientific and Technical Information of China (English)

    TIAN Maozai; CHEN Gemai

    2006-01-01

    The quantile regression has several useful features and therefore is gradually developing into a comprehensive approach to the statistical analysis of linear and nonlinear response models,but it cannot deal effectively with the data with a hierarchical structure.In practice,the existence of such data hierarchies is neither accidental nor ignorable,it is a common phenomenon.To ignore this hierarchical data structure risks overlooking the importance of group effects,and may also render many of the traditional statistical analysis techniques used for studying data relationships invalid.On the other hand,the hierarchical models take a hierarchical data structure into account and have also many applications in statistics,ranging from overdispersion to constructing min-max estimators.However,the hierarchical models are virtually the mean regression,therefore,they cannot be used to characterize the entire conditional distribution of a dependent variable given high-dimensional covariates.Furthermore,the estimated coefficient vector (marginal effects)is sensitive to an outlier observation on the dependent variable.In this article,a new approach,which is based on the Gauss-Seidel iteration and taking a full advantage of the quantile regression and hierarchical models,is developed.On the theoretical front,we also consider the asymptotic properties of the new method,obtaining the simple conditions for an n1/2-convergence and an asymptotic normality.We also illustrate the use of the technique with the real educational data which is hierarchical and how the results can be explained.

  15. Multiscale modeling of droplet interface bilayer membrane networks.

    Science.gov (United States)

    Freeman, Eric C; Farimani, Amir B; Aluru, Narayana R; Philen, Michael K

    2015-11-01

    Droplet interface bilayer (DIB) networks are considered for the development of stimuli-responsive membrane-based materials inspired by cellular mechanics. These DIB networks are often modeled as combinations of electrical circuit analogues, creating complex networks of capacitors and resistors that mimic the biomolecular structures. These empirical models are capable of replicating data from electrophysiology experiments, but these models do not accurately capture the underlying physical phenomena and consequently do not allow for simulations of material functionalities beyond the voltage-clamp or current-clamp conditions. The work presented here provides a more robust description of DIB network behavior through the development of a hierarchical multiscale model, recognizing that the macroscopic network properties are functions of their underlying molecular structure. The result of this research is a modeling methodology based on controlled exchanges across the interfaces of neighboring droplets. This methodology is validated against experimental data, and an extension case is provided to demonstrate possible future applications of droplet interface bilayer networks.

  16. A Multiscale Model for Virus Capsid Dynamics

    Directory of Open Access Journals (Sweden)

    Changjun Chen

    2010-01-01

    Full Text Available Viruses are infectious agents that can cause epidemics and pandemics. The understanding of virus formation, evolution, stability, and interaction with host cells is of great importance to the scientific community and public health. Typically, a virus complex in association with its aquatic environment poses a fabulous challenge to theoretical description and prediction. In this work, we propose a differential geometry-based multiscale paradigm to model complex biomolecule systems. In our approach, the differential geometry theory of surfaces and geometric measure theory are employed as a natural means to couple the macroscopic continuum domain of the fluid mechanical description of the aquatic environment from the microscopic discrete domain of the atomistic description of the biomolecule. A multiscale action functional is constructed as a unified framework to derive the governing equations for the dynamics of different scales. We show that the classical Navier-Stokes equation for the fluid dynamics and Newton's equation for the molecular dynamics can be derived from the least action principle. These equations are coupled through the continuum-discrete interface whose dynamics is governed by potential driven geometric flows.

  17. Multiscale measurement error models for aggregated small area health data.

    Science.gov (United States)

    Aregay, Mehreteab; Lawson, Andrew B; Faes, Christel; Kirby, Russell S; Carroll, Rachel; Watjou, Kevin

    2016-08-01

    Spatial data are often aggregated from a finer (smaller) to a coarser (larger) geographical level. The process of data aggregation induces a scaling effect which smoothes the variation in the data. To address the scaling problem, multiscale models that link the convolution models at different scale levels via the shared random effect have been proposed. One of the main goals in aggregated health data is to investigate the relationship between predictors and an outcome at different geographical levels. In this paper, we extend multiscale models to examine whether a predictor effect at a finer level hold true at a coarser level. To adjust for predictor uncertainty due to aggregation, we applied measurement error models in the framework of multiscale approach. To assess the benefit of using multiscale measurement error models, we compare the performance of multiscale models with and without measurement error in both real and simulated data. We found that ignoring the measurement error in multiscale models underestimates the regression coefficient, while it overestimates the variance of the spatially structured random effect. On the other hand, accounting for the measurement error in multiscale models provides a better model fit and unbiased parameter estimates.

  18. Experimentally-based multiscale model of the elastic moduli of bovine trabecular bone and its constituents

    Energy Technology Data Exchange (ETDEWEB)

    Hamed, Elham [University of Illinois at Urbana-Champaign, Department of Mechanical Science and Engineering, 1206 West Green Street, Urbana, IL 61801 (United States); Novitskaya, Ekaterina, E-mail: eevdokim@ucsd.edu [University of California, San Diego, Department of Mechanical and Aerospace Engineering, Materials Science and Engineering Program, 9500 Gilman Dr., La Jolla, CA 92093 (United States); Li, Jun; Jasiuk, Iwona [University of Illinois at Urbana-Champaign, Department of Mechanical Science and Engineering, 1206 West Green Street, Urbana, IL 61801 (United States); McKittrick, Joanna [University of California, San Diego, Department of Mechanical and Aerospace Engineering, Materials Science and Engineering Program, 9500 Gilman Dr., La Jolla, CA 92093 (United States)

    2015-09-01

    The elastic moduli of trabecular bone were modeled using an analytical multiscale approach. Trabecular bone was represented as a porous nanocomposite material with a hierarchical structure spanning from the collagen–mineral level to the trabecular architecture level. In parallel, compression testing was done on bovine femoral trabecular bone samples in two anatomical directions, parallel to the femoral neck axis and perpendicular to it, and the measured elastic moduli were compared with the corresponding theoretical results. To gain insights on the interaction of collagen and minerals at the nanoscale, bone samples were deproteinized or demineralized. After such processing, the treated samples remained as self-standing structures and were tested in compression. Micro-computed tomography was used to characterize the hierarchical structure of these three bone types and to quantify the amount of bone porosity. The obtained experimental data served as inputs to the multiscale model and guided us to represent bone as an interpenetrating composite material. Good agreement was found between the theory and experiments for the elastic moduli of the untreated, deproteinized, and demineralized trabecular bone. - Highlights: • A multiscale model was used to predict the elastic moduli of trabecular bone. • Samples included demineralized, deproteinized and untreated bone. • The model portrays bone as a porous, interpenetrating two phase composite. • The experimental elastic moduli for trabecular bone fell between theoretical bounds.

  19. Multiscale effect of hierarchical self-assembled nanostructures on superhydrophobic surface.

    Science.gov (United States)

    Passoni, Luca; Bonvini, Giacomo; Luzio, Alessandro; Facibeni, Anna; Bottani, Carlo E; Di Fonzo, Fabio

    2014-11-18

    In this work, we describe self-assembled surfaces with a peculiar multiscale organization, from the nanoscale to the microscale, exhibiting the Cassie-Baxter wetting regime with extremely low water adhesion: floating drops regime with roll-off angles surface cleanliness play a crucial role. Moreover, the multiscale analysis performed in this work contributes to the understanding of the basic mechanisms behind extreme wetting behaviors.

  20. Novel multiscale modeling tool applied to Pseudomonas aeruginosa biofilm formation.

    Science.gov (United States)

    Biggs, Matthew B; Papin, Jason A

    2013-01-01

    Multiscale modeling is used to represent biological systems with increasing frequency and success. Multiscale models are often hybrids of different modeling frameworks and programming languages. We present the MATLAB-NetLogo extension (MatNet) as a novel tool for multiscale modeling. We demonstrate the utility of the tool with a multiscale model of Pseudomonas aeruginosa biofilm formation that incorporates both an agent-based model (ABM) and constraint-based metabolic modeling. The hybrid model correctly recapitulates oxygen-limited biofilm metabolic activity and predicts increased growth rate via anaerobic respiration with the addition of nitrate to the growth media. In addition, a genome-wide survey of metabolic mutants and biofilm formation exemplifies the powerful analyses that are enabled by this computational modeling tool.

  1. Novel multiscale modeling tool applied to Pseudomonas aeruginosa biofilm formation.

    Directory of Open Access Journals (Sweden)

    Matthew B Biggs

    Full Text Available Multiscale modeling is used to represent biological systems with increasing frequency and success. Multiscale models are often hybrids of different modeling frameworks and programming languages. We present the MATLAB-NetLogo extension (MatNet as a novel tool for multiscale modeling. We demonstrate the utility of the tool with a multiscale model of Pseudomonas aeruginosa biofilm formation that incorporates both an agent-based model (ABM and constraint-based metabolic modeling. The hybrid model correctly recapitulates oxygen-limited biofilm metabolic activity and predicts increased growth rate via anaerobic respiration with the addition of nitrate to the growth media. In addition, a genome-wide survey of metabolic mutants and biofilm formation exemplifies the powerful analyses that are enabled by this computational modeling tool.

  2. Hierarchical models and chaotic spin glasses

    Science.gov (United States)

    Berker, A. Nihat; McKay, Susan R.

    1984-09-01

    Renormalization-group studies in position space have led to the discovery of hierarchical models which are exactly solvable, exhibiting nonclassical critical behavior at finite temperature. Position-space renormalization-group approximations that had been widely and successfully used are in fact alternatively applicable as exact solutions of hierarchical models, this realizability guaranteeing important physical requirements. For example, a hierarchized version of the Sierpiriski gasket is presented, corresponding to a renormalization-group approximation which has quantitatively yielded the multicritical phase diagrams of submonolayers on graphite. Hierarchical models are now being studied directly as a testing ground for new concepts. For example, with the introduction of frustration, chaotic renormalization-group trajectories were obtained for the first time. Thus, strong and weak correlations are randomly intermingled at successive length scales, and a new microscopic picture and mechanism for a spin glass emerges. An upper critical dimension occurs via a boundary crisis mechanism in cluster-hierarchical variants developed to have well-behaved susceptibilities.

  3. Hierarchic Models of Turbulence, Superfluidity and Superconductivity

    CERN Document Server

    Kaivarainen, A

    2000-01-01

    New models of Turbulence, Superfluidity and Superconductivity, based on new Hierarchic theory, general for liquids and solids (physics/0102086), have been proposed. CONTENTS: 1 Turbulence. General description; 2 Mesoscopic mechanism of turbulence; 3 Superfluidity. General description; 4 Mesoscopic scenario of fluidity; 5 Superfluidity as a hierarchic self-organization process; 6 Superfluidity in 3He; 7 Superconductivity: General properties of metals and semiconductors; Plasma oscillations; Cyclotron resonance; Electroconductivity; 8. Microscopic theory of superconductivity (BCS); 9. Mesoscopic scenario of superconductivity: Interpretation of experimental data in the framework of mesoscopic model of superconductivity.

  4. Strategic games on a hierarchical network model

    Institute of Scientific and Technical Information of China (English)

    2008-01-01

    Among complex network models, the hierarchical network model is the one most close to such real networks as world trade web, metabolic network, WWW, actor network, and so on. It has not only the property of power-law degree distribution, but growth based on growth and preferential attachment, showing the scale-free degree distribution property. In this paper, we study the evolution of cooperation on a hierarchical network model, adopting the prisoner's dilemma (PD) game and snowdrift game (SG) as metaphors of the interplay between connected nodes. BA model provides a unifying framework for the emergence of cooperation. But interestingly, we found that on hierarchical model, there is no sign of cooperation for PD game, while the frequency of cooperation decreases as the common benefit decreases for SG. By comparing the scaling clustering coefficient properties of the hierarchical network model with that of BA model, we found that the former amplifies the effect of hubs. Considering different performances of PD game and SG on complex network, we also found that common benefit leads to cooperation in the evolution. Thus our study may shed light on the emergence of cooperation in both natural and social environments.

  5. Efficient algorithms for multiscale modeling in porous media

    KAUST Repository

    Wheeler, Mary F.

    2010-09-26

    We describe multiscale mortar mixed finite element discretizations for second-order elliptic and nonlinear parabolic equations modeling Darcy flow in porous media. The continuity of flux is imposed via a mortar finite element space on a coarse grid scale, while the equations in the coarse elements (or subdomains) are discretized on a fine grid scale. We discuss the construction of multiscale mortar basis and extend this concept to nonlinear interface operators. We present a multiscale preconditioning strategy to minimize the computational cost associated with construction of the multiscale mortar basis. We also discuss the use of appropriate quadrature rules and approximation spaces to reduce the saddle point system to a cell-centered pressure scheme. In particular, we focus on multiscale mortar multipoint flux approximation method for general hexahedral grids and full tensor permeabilities. Numerical results are presented to verify the accuracy and efficiency of these approaches. © 2010 John Wiley & Sons, Ltd.

  6. Multiscale Modeling, Simulation and Visualization and Their Potential for Future Aerospace Systems

    Science.gov (United States)

    Noor, Ahmed K. (Compiler)

    2002-01-01

    This document contains the proceedings of the Training Workshop on Multiscale Modeling, Simulation and Visualization and Their Potential for Future Aerospace Systems held at NASA Langley Research Center, Hampton, Virginia, March 5 - 6, 2002. The workshop was jointly sponsored by Old Dominion University's Center for Advanced Engineering Environments and NASA. Workshop attendees were from NASA, other government agencies, industry, and universities. The objectives of the workshop were to give overviews of the diverse activities in hierarchical approach to material modeling from continuum to atomistics; applications of multiscale modeling to advanced and improved material synthesis; defects, dislocations, and material deformation; fracture and friction; thin-film growth; characterization at nano and micro scales; and, verification and validation of numerical simulations, and to identify their potential for future aerospace systems.

  7. Multi-scale Modelling of Segmentation

    DEFF Research Database (Denmark)

    Hartmann, Martin; Lartillot, Olivier; Toiviainen, Petri

    2016-01-01

    While listening to music, people often unwittingly break down musical pieces into constituent chunks such as verses and choruses. Music segmentation studies have suggested that some consensus regarding boundary perception exists, despite individual differences. However, neither the effects...... of experimental task (i.e., real-time vs. annotated segmentation), nor of musicianship on boundary perception are clear. Our study assesses musicianship effects and differences between segmentation tasks. We conducted a real-time experiment to collect segmentations by musicians and nonmusicians from nine musical...... pieces. In a second experiment on non-real-time segmentation, musicians indicated boundaries and their strength for six examples. Kernel density estimation was used to develop multi-scale segmentation models. Contrary to previous research, no relationship was found between boundary strength and boundary...

  8. Multiscale model reduction for shale gas transport in fractured media

    CERN Document Server

    Akkutlu, I Y; Vasilyeva, Maria

    2015-01-01

    In this paper, we develop a multiscale model reduction technique that describes shale gas transport in fractured media. Due to the pore-scale heterogeneities and processes, we use upscaled models to describe the matrix. We follow our previous work \\cite{aes14}, where we derived an upscaled model in the form of generalized nonlinear diffusion model to describe the effects of kerogen. To model the interaction between the matrix and the fractures, we use Generalized Multiscale Finite Element Method. In this approach, the matrix and the fracture interaction is modeled via local multiscale basis functions. We developed the GMsFEM and applied for linear flows with horizontal or vertical fracture orientations on a Cartesian fine grid. In this paper, we consider arbitrary fracture orientations and use triangular fine grid and developed GMsFEM for nonlinear flows. Moreover, we develop online basis function strategies to adaptively improve the convergence. The number of multiscale basis functions in each coarse region ...

  9. Hierarchical Context Modeling for Video Event Recognition.

    Science.gov (United States)

    Wang, Xiaoyang; Ji, Qiang

    2016-10-11

    Current video event recognition research remains largely target-centered. For real-world surveillance videos, targetcentered event recognition faces great challenges due to large intra-class target variation, limited image resolution, and poor detection and tracking results. To mitigate these challenges, we introduced a context-augmented video event recognition approach. Specifically, we explicitly capture different types of contexts from three levels including image level, semantic level, and prior level. At the image level, we introduce two types of contextual features including the appearance context features and interaction context features to capture the appearance of context objects and their interactions with the target objects. At the semantic level, we propose a deep model based on deep Boltzmann machine to learn event object representations and their interactions. At the prior level, we utilize two types of prior-level contexts including scene priming and dynamic cueing. Finally, we introduce a hierarchical context model that systematically integrates the contextual information at different levels. Through the hierarchical context model, contexts at different levels jointly contribute to the event recognition. We evaluate the hierarchical context model for event recognition on benchmark surveillance video datasets. Results show that incorporating contexts in each level can improve event recognition performance, and jointly integrating three levels of contexts through our hierarchical model achieves the best performance.

  10. Multiscale Modeling of Mesoscale and Interfacial Phenomena

    Science.gov (United States)

    Petsev, Nikolai Dimitrov

    we provide a novel and general framework for multiscale modeling of systems featuring one or more dissolved species. This makes it possible to retain molecular detail for parts of the problem that require it while using a simple, continuum description for parts where high detail is unnecessary, reducing the number of degrees of freedom (i.e. number of particles) dramatically. This opens the possibility for modeling ion transport in biological processes and biomolecule assembly in ionic solution, as well as electrokinetic phenomena at interfaces such as corrosion. The number of particles in the system is further reduced through an integrated boundary approach, which we apply to colloidal suspensions. In this thesis, we describe this general framework for multiscale modeling single- and multicomponent systems, provide several simple equilibrium and non-equilibrium case studies, and discuss future applications.

  11. Managing Clustered Data Using Hierarchical Linear Modeling

    Science.gov (United States)

    Warne, Russell T.; Li, Yan; McKyer, E. Lisako J.; Condie, Rachel; Diep, Cassandra S.; Murano, Peter S.

    2012-01-01

    Researchers in nutrition research often use cluster or multistage sampling to gather participants for their studies. These sampling methods often produce violations of the assumption of data independence that most traditional statistics share. Hierarchical linear modeling is a statistical method that can overcome violations of the independence…

  12. Managing Clustered Data Using Hierarchical Linear Modeling

    Science.gov (United States)

    Warne, Russell T.; Li, Yan; McKyer, E. Lisako J.; Condie, Rachel; Diep, Cassandra S.; Murano, Peter S.

    2012-01-01

    Researchers in nutrition research often use cluster or multistage sampling to gather participants for their studies. These sampling methods often produce violations of the assumption of data independence that most traditional statistics share. Hierarchical linear modeling is a statistical method that can overcome violations of the independence…

  13. Multiscale mechanics of hierarchical structure/property relationships in calcified tissues and tissue/material interfaces

    Energy Technology Data Exchange (ETDEWEB)

    Katz, J. Lawrence [School of Computing and Engineering, University of Missouri-Kansas City, Kansas City, MO (United States) and School of Dentistry, University of Missouri-Kansas City, Kansas City, MO (United States)]. E-mail: katzjl@umkc.edu; Misra, Anil [School of Computing and Engineering, University of Missouri-Kansas City, Kansas City, MO (United States); Spencer, Paulette [School of Dentistry, University of Missouri-Kansas City, Kansas City, MO (United States); Wang, Yong [School of Dentistry, University of Missouri-Kansas City, Kansas City, MO (United States); Bumrerraj, Sauwanan [School of Medicine, Khon Kaen University, Khon Kaen (Thailand); Nomura, Tsutomu [School of Dentistry, Niigata University, Niigata (Japan); Eppell, Steven J. [Case School of Engineering, Case Western Reserve University, Cleveland, OH (United States); Tabib-Azar, Massood [Case School of Engineering, Case Western Reserve University, Cleveland, OH (United States)

    2007-04-15

    This paper presents a review plus new data that describes the role hierarchical nanostructural properties play in developing an understanding of the effect of scale on the material properties (chemical, elastic and electrical) of calcified tissues as well as the interfaces that form between such tissues and biomaterials. Both nanostructural and microstructural properties will be considered starting with the size and shape of the apatitic mineralites in both young and mature bovine bone. Microstructural properties for human dentin and cortical and trabecular bone will be considered. These separate sets of data will be combined mathematically to advance the effects of scale on the modeling of these tissues and the tissue/biomaterial interfaces as hierarchical material/structural composites. Interfacial structure and properties to be considered in greatest detail will be that of the dentin/adhesive (d/a) interface, which presents a clear example of examining all three material properties, (chemical, elastic and electrical). In this case, finite element modeling (FEA) was based on the actual measured values of the structure and elastic properties of the materials comprising the d/a interface; this combination provides insight into factors and mechanisms that contribute to premature failure of dental composite fillings. At present, there are more elastic property data obtained by microstructural measurements, especially high frequency ultrasonic wave propagation (UWP) and scanning acoustic microscopy (SAM) techniques. However, atomic force microscopy (AFM) and nanoindentation (NI) of cortical and trabecular bone and the dentin-enamel junction (DEJ) among others have become available allowing correlation of the nanostructural level measurements with those made on the microstructural level.

  14. The Infinite Hierarchical Factor Regression Model

    CERN Document Server

    Rai, Piyush

    2009-01-01

    We propose a nonparametric Bayesian factor regression model that accounts for uncertainty in the number of factors, and the relationship between factors. To accomplish this, we propose a sparse variant of the Indian Buffet Process and couple this with a hierarchical model over factors, based on Kingman's coalescent. We apply this model to two problems (factor analysis and factor regression) in gene-expression data analysis.

  15. Multiscale agent-based consumer market modeling.

    Energy Technology Data Exchange (ETDEWEB)

    North, M. J.; Macal, C. M.; St. Aubin, J.; Thimmapuram, P.; Bragen, M.; Hahn, J.; Karr, J.; Brigham, N.; Lacy, M. E.; Hampton, D.; Decision and Information Sciences; Procter & Gamble Co.

    2010-05-01

    Consumer markets have been studied in great depth, and many techniques have been used to represent them. These have included regression-based models, logit models, and theoretical market-level models, such as the NBD-Dirichlet approach. Although many important contributions and insights have resulted from studies that relied on these models, there is still a need for a model that could more holistically represent the interdependencies of the decisions made by consumers, retailers, and manufacturers. When the need is for a model that could be used repeatedly over time to support decisions in an industrial setting, it is particularly critical. Although some existing methods can, in principle, represent such complex interdependencies, their capabilities might be outstripped if they had to be used for industrial applications, because of the details this type of modeling requires. However, a complementary method - agent-based modeling - shows promise for addressing these issues. Agent-based models use business-driven rules for individuals (e.g., individual consumer rules for buying items, individual retailer rules for stocking items, or individual firm rules for advertizing items) to determine holistic, system-level outcomes (e.g., to determine if brand X's market share is increasing). We applied agent-based modeling to develop a multi-scale consumer market model. We then conducted calibration, verification, and validation tests of this model. The model was successfully applied by Procter & Gamble to several challenging business problems. In these situations, it directly influenced managerial decision making and produced substantial cost savings.

  16. Integrating Multiscale Modeling with Drug Effects for Cancer Treatment.

    Science.gov (United States)

    Li, Xiangfang L; Oduola, Wasiu O; Qian, Lijun; Dougherty, Edward R

    2015-01-01

    In this paper, we review multiscale modeling for cancer treatment with the incorporation of drug effects from an applied system's pharmacology perspective. Both the classical pharmacology and systems biology are inherently quantitative; however, systems biology focuses more on networks and multi factorial controls over biological processes rather than on drugs and targets in isolation, whereas systems pharmacology has a strong focus on studying drugs with regard to the pharmacokinetic (PK) and pharmacodynamic (PD) relations accompanying drug interactions with multiscale physiology as well as the prediction of dosage-exposure responses and economic potentials of drugs. Thus, it requires multiscale methods to address the need for integrating models from the molecular levels to the cellular, tissue, and organism levels. It is a common belief that tumorigenesis and tumor growth can be best understood and tackled by employing and integrating a multifaceted approach that includes in vivo and in vitro experiments, in silico models, multiscale tumor modeling, continuous/discrete modeling, agent-based modeling, and multiscale modeling with PK/PD drug effect inputs. We provide an example application of multiscale modeling employing stochastic hybrid system for a colon cancer cell line HCT-116 with the application of Lapatinib drug. It is observed that the simulation results are similar to those observed from the setup of the wet-lab experiments at the Translational Genomics Research Institute.

  17. Hierarchical models in the brain.

    Directory of Open Access Journals (Sweden)

    Karl Friston

    2008-11-01

    Full Text Available This paper describes a general model that subsumes many parametric models for continuous data. The model comprises hidden layers of state-space or dynamic causal models, arranged so that the output of one provides input to another. The ensuing hierarchy furnishes a model for many types of data, of arbitrary complexity. Special cases range from the general linear model for static data to generalised convolution models, with system noise, for nonlinear time-series analysis. Crucially, all of these models can be inverted using exactly the same scheme, namely, dynamic expectation maximization. This means that a single model and optimisation scheme can be used to invert a wide range of models. We present the model and a brief review of its inversion to disclose the relationships among, apparently, diverse generative models of empirical data. We then show that this inversion can be formulated as a simple neural network and may provide a useful metaphor for inference and learning in the brain.

  18. A computational library for multiscale modeling of material failure

    Science.gov (United States)

    Talebi, Hossein; Silani, Mohammad; Bordas, Stéphane P. A.; Kerfriden, Pierre; Rabczuk, Timon

    2014-05-01

    We present an open-source software framework called PERMIX for multiscale modeling and simulation of fracture in solids. The framework is an object oriented open-source effort written primarily in Fortran 2003 standard with Fortran/C++ interfaces to a number of other libraries such as LAMMPS, ABAQUS, LS-DYNA and GMSH. Fracture on the continuum level is modeled by the extended finite element method (XFEM). Using several novel or state of the art methods, the piece software handles semi-concurrent multiscale methods as well as concurrent multiscale methods for fracture, coupling two continuum domains or atomistic domains to continuum domains, respectively. The efficiency of our open-source software is shown through several simulations including a 3D crack modeling in clay nanocomposites, a semi-concurrent FE-FE coupling, a 3D Arlequin multiscale example and an MD-XFEM coupling for dynamic crack propagation.

  19. Hierarchical model of vulnerabilities for emotional disorders.

    Science.gov (United States)

    Norton, Peter J; Mehta, Paras D

    2007-01-01

    Clark and Watson's (1991) tripartite model of anxiety and depression has had a dramatic impact on our understanding of the dispositional variables underlying emotional disorders. More recently, calls have been made to examine not simply the influence of negative affectivity (NA) but also mediating factors that might better explain how NA influences anxious and depressive syndromes (e.g. Taylor, 1998; Watson, 2005). Extending preliminary projects, this study evaluated two hierarchical models of NA, mediating factors of anxiety sensitivity and intolerance of uncertainty, and specific emotional manifestations. Data provided a very good fit to a model elaborated from preliminary studies, lending further support to hierarchical models of emotional vulnerabilities. Implications for classification and diagnosis are discussed.

  20. Bayesian hierarchical modeling of drug stability data.

    Science.gov (United States)

    Chen, Jie; Zhong, Jinglin; Nie, Lei

    2008-06-15

    Stability data are commonly analyzed using linear fixed or random effect model. The linear fixed effect model does not take into account the batch-to-batch variation, whereas the random effect model may suffer from the unreliable shelf-life estimates due to small sample size. Moreover, both methods do not utilize any prior information that might have been available. In this article, we propose a Bayesian hierarchical approach to modeling drug stability data. Under this hierarchical structure, we first use Bayes factor to test the poolability of batches. Given the decision on poolability of batches, we then estimate the shelf-life that applies to all batches. The approach is illustrated with two example data sets and its performance is compared in simulation studies with that of the commonly used frequentist methods. (c) 2008 John Wiley & Sons, Ltd.

  1. Multiscale soil-landscape process modeling

    NARCIS (Netherlands)

    Schoorl, J.M.; Veldkamp, A.

    2006-01-01

    The general objective of this chapter is to illustrate the role of soils and geomorphological processes in the multiscale soil-lanscape context. Included in this context is the fourth dimension (temporal dimension) and the human role (fifth dimension)

  2. Multiscale mechanobiology modeling for surgery assessment

    Institute of Scientific and Technical Information of China (English)

    M. Garbey; B. L. Bass; S. Berceli

    2012-01-01

    This paper discusses some of the concept of modeling surgery outcome.It is also an attempt to offer a road map for progress.This paper may serve as a common ground of discussion for both communities i.e surgeons and computational scientist in its broadest sense.Predicting surgery outcome is a very difficult task.All patients are different,and multiple factors such as genetic,or environment conditions plays a role.The difficulty is to construct models that are complex enough to address some of these significant multiscale elements and simple enough to be used in clinical conditions and calibrated on patient data.We will provide a multilevel progressive approach inspired by two applications in surgery that we have been working on.One is about vein graft adaptation after a transplantation,the other is the recovery of cosmesis outcome after a breast lumpectomy.This work,that is still very much in progress,may teach us some lessons.We are convinced that the digital revolution that is transforming the working environment of the surgeon makes closer collaboration between surgeons and computational scientist unavoidable.We believe that "computational surgery" will allow the community to develop predictive model of the surgery outcome and greatprogresses in surgery procedures that goes far beyond the operating room procedural aspect.

  3. Multiscale Concrete Modeling of Aging Degradation

    Energy Technology Data Exchange (ETDEWEB)

    Hammi, Yousseff [Mississippi State Univ., Mississippi State, MS (United States); Gullett, Philipp [Mississippi State Univ., Mississippi State, MS (United States); Horstemeyer, Mark F. [Mississippi State Univ., Mississippi State, MS (United States)

    2015-07-31

    In this work a numerical finite element framework is implemented to enable the integration of coupled multiscale and multiphysics transport processes. A User Element subroutine (UEL) in Abaqus is used to simultaneously solve stress equilibrium, heat conduction, and multiple diffusion equations for 2D and 3D linear and quadratic elements. Transport processes in concrete structures and their degradation mechanisms are presented along with the discretization of the governing equations. The multiphysics modeling framework is theoretically extended to the linear elastic fracture mechanics (LEFM) by introducing the eXtended Finite Element Method (XFEM) and based on the XFEM user element implementation of Giner et al. [2009]. A damage model that takes into account the damage contribution from the different degradation mechanisms is theoretically developed. The total contribution of damage is forwarded to a Multi-Stage Fatigue (MSF) model to enable the assessment of the fatigue life and the deterioration of reinforced concrete structures in a nuclear power plant. Finally, two examples are presented to illustrate the developed multiphysics user element implementation and the XFEM implementation of Giner et al. [2009].

  4. Hierarchical Climate Modeling for Cosmoclimatology

    Science.gov (United States)

    Ohfuchi, Wataru

    2010-05-01

    It has been reported that there are correlations among solar activity, amount of galactic cosmic ray, amount of low clouds and surface air temperature (Svensmark and Friis-Chistensen, 1997). These correlations seem to exist for current climate change, Little Ice Age, and geological time scale climate changes. Some hypothetic mechanisms have been argued for the correlations but it still needs quantitative studies to understand the mechanism. In order to decrease uncertainties, only first principles or laws very close to first principles should be used. Our group at Japan Agency for Marine-Earth Science and Technology has started modeling effort to tackle this problem. We are constructing models from galactic cosmic ray inducing ionization, to aerosol formation, to cloud formation, to global climate. In this talk, we introduce our modeling activities. For aerosol formation, we use molecular dynamics. For cloud formation, we use a new cloud microphysics model called "super droplet method". We also try to couple a nonhydrostatic atmospheric regional cloud resolving model and a hydrostatic atmospheric general circulation model.

  5. The Goddard multi-scale modeling system with unified physics

    Directory of Open Access Journals (Sweden)

    W.-K. Tao

    2009-08-01

    Full Text Available Recently, a multi-scale modeling system with unified physics was developed at NASA Goddard. It consists of (1 a cloud-resolving model (CRM, (2 a regional-scale model, the NASA unified Weather Research and Forecasting Model (WRF, and (3 a coupled CRM-GCM (general circulation model, known as the Goddard Multi-scale Modeling Framework or MMF. The same cloud-microphysical processes, long- and short-wave radiative transfer and land-surface processes are applied in all of the models to study explicit cloud-radiation and cloud-surface interactive processes in this multi-scale modeling system. This modeling system has been coupled with a multi-satellite simulator for comparison and validation with NASA high-resolution satellite data.

    This paper reviews the development and presents some applications of the multi-scale modeling system, including results from using the multi-scale modeling system to study the interactions between clouds, precipitation, and aerosols. In addition, use of the multi-satellite simulator to identify the strengths and weaknesses of the model-simulated precipitation processes will be discussed as well as future model developments and applications.

  6. Microphysics in Multi-scale Modeling System with Unified Physics

    Science.gov (United States)

    Tao, Wei-Kuo

    2012-01-01

    Recently, a multi-scale modeling system with unified physics was developed at NASA Goddard. It consists of (1) a cloud-resolving model (Goddard Cumulus Ensemble model, GCE model), (2) a regional scale model (a NASA unified weather research and forecast, WRF), (3) a coupled CRM and global model (Goddard Multi-scale Modeling Framework, MMF), and (4) a land modeling system. The same microphysical processes, long and short wave radiative transfer and land processes and the explicit cloud-radiation, and cloud-land surface interactive processes are applied in this multi-scale modeling system. This modeling system has been coupled with a multi-satellite simulator to use NASA high-resolution satellite data to identify the strengths and weaknesses of cloud and precipitation processes simulated by the model. In this talk, a review of developments and applications of the multi-scale modeling system will be presented. In particular, the microphysics development and its performance for the multi-scale modeling system will be presented.

  7. Hierarchical Boltzmann simulations and model error estimation

    Science.gov (United States)

    Torrilhon, Manuel; Sarna, Neeraj

    2017-08-01

    A hierarchical simulation approach for Boltzmann's equation should provide a single numerical framework in which a coarse representation can be used to compute gas flows as accurately and efficiently as in computational fluid dynamics, but a subsequent refinement allows to successively improve the result to the complete Boltzmann result. We use Hermite discretization, or moment equations, for the steady linearized Boltzmann equation for a proof-of-concept of such a framework. All representations of the hierarchy are rotationally invariant and the numerical method is formulated on fully unstructured triangular and quadrilateral meshes using a implicit discontinuous Galerkin formulation. We demonstrate the performance of the numerical method on model problems which in particular highlights the relevance of stability of boundary conditions on curved domains. The hierarchical nature of the method allows also to provide model error estimates by comparing subsequent representations. We present various model errors for a flow through a curved channel with obstacles.

  8. Multiscale Modeling of UHTC: Thermal Conductivity

    Science.gov (United States)

    Lawson, John W.; Murry, Daw; Squire, Thomas; Bauschlicher, Charles W.

    2012-01-01

    We are developing a multiscale framework in computational modeling for the ultra high temperature ceramics (UHTC) ZrB2 and HfB2. These materials are characterized by high melting point, good strength, and reasonable oxidation resistance. They are candidate materials for a number of applications in extreme environments including sharp leading edges of hypersonic aircraft. In particular, we used a combination of ab initio methods, atomistic simulations and continuum computations to obtain insights into fundamental properties of these materials. Ab initio methods were used to compute basic structural, mechanical and thermal properties. From these results, a database was constructed to fit a Tersoff style interatomic potential suitable for atomistic simulations. These potentials were used to evaluate the lattice thermal conductivity of single crystals and the thermal resistance of simple grain boundaries. Finite element method (FEM) computations using atomistic results as inputs were performed with meshes constructed on SEM images thereby modeling the realistic microstructure. These continuum computations showed the reduction in thermal conductivity due to the grain boundary network.

  9. Self-Sensing of Damage Progression in Unidirectional Multiscale Hierarchical Composites Subjected to Cyclic Tensile Loading

    Science.gov (United States)

    Ku-Herrera, J. J.; Pacheco-Salazar, O. F.; Ríos-Soberanis, C. R.; Domínguez-Rodríguez, G.; Avilés, F.

    2016-01-01

    The electrical sensitivity of glass fiber/multiwall carbon nanotube/vinyl ester hierarchical composites containing a tailored electrically-percolated network to self-sense accumulation of structural damage when subjected to cyclic tensile loading-unloading is investigated. The hierarchical composites were designed to contain two architectures differentiated by the location of the multiwall carbon nanotubes (MWCNTs), viz. MWCNTs deposited on the fibers and MWCNTs dispersed within the matrix. The changes in electrical resistance of the hierarchical composites are associated to their structural damage and correlated to acoustic emissions. The results show that such tailored hierarchical composites are able to self-sense damage onset and accumulation upon tensile loading-unloading cycles by means of their electrical response, and that the electrical response depends on the MWCNT location. PMID:26999158

  10. Multiscale mechanical modeling of soft biological tissues

    Science.gov (United States)

    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.

  11. Hierarchical mixture models for assessing fingerprint individuality

    OpenAIRE

    Dass, Sarat C.; Li, Mingfei

    2009-01-01

    The study of fingerprint individuality aims to determine to what extent a fingerprint uniquely identifies an individual. Recent court cases have highlighted the need for measures of fingerprint individuality when a person is identified based on fingerprint evidence. The main challenge in studies of fingerprint individuality is to adequately capture the variability of fingerprint features in a population. In this paper hierarchical mixture models are introduced to infer the extent of individua...

  12. Multiscale Modeling in the Clinic: Drug Design and Development.

    Science.gov (United States)

    Clancy, Colleen E; An, Gary; Cannon, William R; Liu, Yaling; May, Elebeoba E; Ortoleva, Peter; Popel, Aleksander S; Sluka, James P; Su, Jing; Vicini, Paolo; Zhou, Xiaobo; Eckmann, David M

    2016-09-01

    A wide range of length and time scales are relevant to pharmacology, especially in drug development, drug design and drug delivery. Therefore, multiscale computational modeling and simulation methods and paradigms that advance the linkage of phenomena occurring at these multiple scales have become increasingly important. Multiscale approaches present in silico opportunities to advance laboratory research to bedside clinical applications in pharmaceuticals research. This is achievable through the capability of modeling to reveal phenomena occurring across multiple spatial and temporal scales, which are not otherwise readily accessible to experimentation. The resultant models, when validated, are capable of making testable predictions to guide drug design and delivery. In this review we describe the goals, methods, and opportunities of multiscale modeling in drug design and development. We demonstrate the impact of multiple scales of modeling in this field. We indicate the common mathematical and computational techniques employed for multiscale modeling approaches used in pharmacometric and systems pharmacology models in drug development and present several examples illustrating the current state-of-the-art models for (1) excitable systems and applications in cardiac disease; (2) stem cell driven complex biosystems; (3) nanoparticle delivery, with applications to angiogenesis and cancer therapy; (4) host-pathogen interactions and their use in metabolic disorders, inflammation and sepsis; and (5) computer-aided design of nanomedical systems. We conclude with a focus on barriers to successful clinical translation of drug development, drug design and drug delivery multiscale models.

  13. Semantic Image Segmentation with Contextual Hierarchical Models.

    Science.gov (United States)

    Seyedhosseini, Mojtaba; Tasdizen, Tolga

    2016-05-01

    Semantic segmentation is the problem of assigning an object label to each pixel. It unifies the image segmentation and object recognition problems. The importance of using contextual information in semantic segmentation frameworks has been widely realized in the field. We propose a contextual framework, called contextual hierarchical model (CHM), which learns contextual information in a hierarchical framework for semantic segmentation. At each level of the hierarchy, a classifier is trained based on downsampled input images and outputs of previous levels. Our model then incorporates the resulting multi-resolution contextual information into a classifier to segment the input image at original resolution. This training strategy allows for optimization of a joint posterior probability at multiple resolutions through the hierarchy. Contextual hierarchical model is purely based on the input image patches and does not make use of any fragments or shape examples. Hence, it is applicable to a variety of problems such as object segmentation and edge detection. We demonstrate that CHM performs at par with state-of-the-art on Stanford background and Weizmann horse datasets. It also outperforms state-of-the-art edge detection methods on NYU depth dataset and achieves state-of-the-art on Berkeley segmentation dataset (BSDS 500).

  14. Multiscale Modeling and Characterization of the Effects of Damage Evolution on the Multifunctional Properties of Polymer Nanocomposites

    Science.gov (United States)

    2016-07-27

    structural health monitoring sensors. The effort centered on the development of a hybrid concurrent-hierarchical multiscale modeling approach for capturing...ABOVE ORGANIZATION . 1. REPORT DATE (DD-MM-YYYY) 13-07-2016 2. REPORT TYPE Final Report 3. DATES COVERED (From - To) From 15-04-2012 to 14-04-2016 4...NUMBER 5f. WORK UNIT NUMBER 7. PERFORMING ORGANIZATION NAME(S) AND ADDRESS(ES) VIRGINIA POLYTECHNIC INSTITUTE & STATE UNIVERSITY 300 TURNER ST NW

  15. Computational technology of multiscale modeling the gas flows in microchannels

    Science.gov (United States)

    Podryga, V. O.

    2016-11-01

    The work is devoted to modeling the gas mixture flows in engineering microchannels under conditions of many scales of computational domain. The computational technology of using the multiscale approach combining macro - and microscopic models is presented. At macrolevel the nature of the flow and the external influence on it are considered. As a model the system of quasigasdynamic equations is selected. At microlevel the correction of gasdynamic parameters and the determination of boundary conditions are made. As a numerical model the Newton's equations and the molecular dynamics method are selected. Different algorithm types used for implementation of multiscale modeling are considered. The results of the model problems for separate stages are given.

  16. Multiscale Modeling in the Clinic: Drug Design and Development

    Energy Technology Data Exchange (ETDEWEB)

    Clancy, Colleen E.; An, Gary; Cannon, William R.; Liu, Yaling; May, Elebeoba E.; Ortoleva, Peter; Popel, Aleksander S.; Sluka, James P.; Su, Jing; Vicini, Paolo; Zhou, Xiaobo; Eckmann, David M.

    2016-02-17

    A wide range of length and time scales are relevant to pharmacology, especially in drug development, drug design and drug delivery. Therefore, multi-scale computational modeling and simulation methods and paradigms that advance the linkage of phenomena occurring at these multiple scales have become increasingly important. Multi-scale approaches present in silico opportunities to advance laboratory research to bedside clinical applications in pharmaceuticals research. This is achievable through the capability of modeling to reveal phenomena occurring across multiple spatial and temporal scales, which are not otherwise readily accessible to experimentation. The resultant models, when validated, are capable of making testable predictions to guide drug design and delivery. In this review we describe the goals, methods, and opportunities of multi-scale modeling in drug design and development. We demonstrate the impact of multiple scales of modeling in this field. We indicate the common mathematical techniques employed for multi-scale modeling approaches used in pharmacology and present several examples illustrating the current state-of-the-art regarding drug development for: Excitable Systems (Heart); Cancer (Metastasis and Differentiation); Cancer (Angiogenesis and Drug Targeting); Metabolic Disorders; and Inflammation and Sepsis. We conclude with a focus on barriers to successful clinical translation of drug development, drug design and drug delivery multi-scale models.

  17. Magnetic susceptibilities of cluster-hierarchical models

    Science.gov (United States)

    McKay, Susan R.; Berker, A. Nihat

    1984-02-01

    The exact magnetic susceptibilities of hierarchical models are calculated near and away from criticality, in both the ordered and disordered phases. The mechanism and phenomenology are discussed for models with susceptibilities that are physically sensible, e.g., nondivergent away from criticality. Such models are found based upon the Niemeijer-van Leeuwen cluster renormalization. A recursion-matrix method is presented for the renormalization-group evaluation of response functions. Diagonalization of this matrix at fixed points provides simple criteria for well-behaved densities and response functions.

  18. Stochastic multiscale modeling of polycrystalline materials

    Science.gov (United States)

    Wen, Bin

    provides a new outlook to multi-scale materials modeling accounting for microstructure and process uncertainties. Predictive materials modeling will accelerate the development of new materials and processes for critical applications in industry.

  19. Multi-scale modelling and simulation in systems biology.

    Science.gov (United States)

    Dada, Joseph O; Mendes, Pedro

    2011-02-01

    The aim of systems biology is to describe and understand biology at a global scale where biological functions are recognised as a result of complex mechanisms that happen at several scales, from the molecular to the ecosystem. Modelling and simulation are computational tools that are invaluable for description, prediction and understanding these mechanisms in a quantitative and integrative way. Therefore the study of biological functions is greatly aided by multi-scale methods that enable the coupling and simulation of models spanning several spatial and temporal scales. Various methods have been developed for solving multi-scale problems in many scientific disciplines, and are applicable to continuum based modelling techniques, in which the relationship between system properties is expressed with continuous mathematical equations or discrete modelling techniques that are based on individual units to model the heterogeneous microscopic elements such as individuals or cells. In this review, we survey these multi-scale methods and explore their application in systems biology.

  20. Modeling Temporal Evolution and Multiscale Structure in Networks

    DEFF Research Database (Denmark)

    Herlau, Tue; Mørup, Morten; Schmidt, Mikkel Nørgaard

    2013-01-01

    Many real-world networks exhibit both temporal evolution and multiscale structure. We propose a model for temporally correlated multifurcating hierarchies in complex networks which jointly capture both effects. We use the Gibbs fragmentation tree as prior over multifurcating trees and a change......-point model to account for the temporal evolution of each vertex. We demonstrate that our model is able to infer time-varying multiscale structure in synthetic as well as three real world time-evolving complex networks. Our modeling of the temporal evolution of hierarchies brings new insights...

  1. Nanomechanics and Multiscale Modeling of Sustainable Concretes

    Science.gov (United States)

    Zanjani Zadeh, Vahid

    The work presented in this dissertation is aimed to implement and further develop the recent advances in material characterization for porous and heterogeneous materials and apply these advances to sustainable concretes. The studied sustainable concretes were concrete containing fly ash and slag, Kenaf fiber reinforced concrete, and lightweight aggregate concrete. All these cement-based materials can be categorized as sustainable concrete, by achieving concrete with high strength while reducing cement consumption. The nanoindentation technique was used to infer the nanomechanical properties of the active hydration phases in bulk cement paste. Moreover, the interfacial transition zone (ITZ) of lightweight aggregate, normal aggregate, and Kenaf fibers were investigated using nanoindentation and imagine techniques, despite difficulties regarding characterizing this region. Samples were also tested after exposure to high temperature to evaluate the damage mechanics of sustainable concretes. It has been shown that there is a direct correlation between the nature of the nanoscale structure of a cement-based material with its macroscopic properties. This was addressed in two steps in this dissertation: (i) Nanoscale characterization of sustainable cementitious materials to understand the different role of fly ash, slag, lightweight aggregate, and Kenaf fibers on nanoscale (ii) Link the nanoscale mechanical properties to macroscale ones with multiscale modeling. The grid indentation technique originally developed for normal concrete was extended to sustainable concretes with more complex microstructure. The relation between morphology of cement paste materials and submicron mechanical properties, indentation modulus, hardness, and dissipated energy is explained in detail. Extensive experimental and analytical approaches were focused on description of the materials' heterogeneous microstructure as function of their composition and physical phenomenon. Quantitative

  2. Three Layer Hierarchical Model for Chord

    Directory of Open Access Journals (Sweden)

    Waqas A. Imtiaz

    2012-12-01

    Full Text Available Increasing popularity of decentralized Peer-to-Peer (P2P architecture emphasizes on the need to come across an overlay structure that can provide efficient content discovery mechanism, accommodate high churn rate and adapt to failures in the presence of heterogeneity among the peers. Traditional p2p systems incorporate distributed client-server communication, which finds the peer efficiently that store a desires data item, with minimum delay and reduced overhead. However traditional models are not able to solve the problems relating scalability and high churn rates. Hierarchical model were introduced to provide better fault isolation, effective bandwidth utilization, a superior adaptation to the underlying physical network and a reduction of the lookup path length as additional advantages. It is more efficient and easier to manage than traditional p2p networks. This paper discusses a further step in p2p hierarchy via 3-layers hierarchical model with distributed database architecture in different layer, each of which is connected through its root. The peers are divided into three categories according to their physical stability and strength. They are Ultra Super-peer, Super-peer and Ordinary Peer and we assign these peers to first, second and third level of hierarchy respectively. Peers in a group in lower layer have their own local database which hold as associated super-peer in middle layer and access the database among the peers through user queries. In our 3-layer hierarchical model for DHT algorithms, we used an advanced Chord algorithm with optimized finger table which can remove the redundant entry in the finger table in upper layer that influences the system to reduce the lookup latency. Our research work finally resulted that our model really provides faster search since the network lookup latency is decreased by reducing the number of hops. The peers in such network then can contribute with improve functionality and can perform well in

  3. Foundations for a multiscale collaborative Earth model

    KAUST Repository

    Afanasiev, M.

    2015-11-11

    of the CSEM development, the broad global updates mostly act to remove artefacts from the assembly of the initial CSEM. During the future evolution of the CSEM, the reference data set will be used to account for the influence of small-scale refinements on large-scale global structure. The CSEM as a computational framework is intended to help bridging the gap between local, regional and global tomography, and to contribute to the development of a global multiscale Earth model. While the current construction serves as a first proof of concept, future refinements and additions will require community involvement, which is welcome at this stage already.

  4. Multi-scale Representation of Digital Depth Model Based on Double Direction Rolling Ball Transform according to the Reality Principle

    Directory of Open Access Journals (Sweden)

    DONG Jian

    2017-06-01

    Full Text Available After having analyzed the application deficiency of positive direction rolling ball transform according to the safety principle, and concerned essentially with the evaluation principles of depth precision, depth order isomorphism and hierarchical nesting of terrain information for morphologic fidelity of digital depth model (DDM for short multi-scale representation, a reality principle-compliant algorithm for DDM multi-scale representation had been proposed based on double direction rolling ball transform. Firstly, by the analysis of the variation tendency of sea floor relief feature point throughout the procedure of double direction rolling ball transform, and combined with the scale dependence character of positive direction rolling ball transform, both the traverse distribution range and the vertical distribution height of sea floor reliefs of a certain scale had been calculated. Secondly, based on the statistic characteristics of DDM grid point undulation extent, a rule of identifying detail (skeleton reliefs had been established. Finally, by preserving the skeleton reliefs of specific scale factor, the overall trend of the changes of marine topography had been kept to meet the requirement of depth precision principle of DDM multi-scale representation. Besides, the paper demonstrated the ordered isomorphism characteristic of equidistant surface transform, and by extracting equidistant surface through double direction rolling ball transform of detail reliefs, the local undulation morphology of marine topography had been maintained to fulfill the depth order isomorphism principle of DDM multi-scale representation. Furthermore, the hierarchical nesting characteristic of terrain information in the process of double direction rolling ball transform had been demonstrated. The experiment results showed that this algorithm overcomed positive direction rolling ball transform's inability to reserve concave skeleton reliefs and preserve undulating

  5. Multiscale modeling of complex materials phenomenological, theoretical and computational aspects

    CERN Document Server

    Trovalusci, Patrizia

    2014-01-01

    The papers in this volume deal with materials science, theoretical mechanics and experimental and computational techniques at multiple scales, providing a sound base and a framework for many applications which are hitherto treated in a phenomenological sense. The basic principles are formulated of multiscale modeling strategies towards modern complex multiphase materials subjected to various types of mechanical, thermal loadings and environmental effects. The focus is on problems where mechanics is highly coupled with other concurrent physical phenomena. Attention is also focused on the historical origins of multiscale modeling and foundations of continuum mechanics currently adopted to model non-classical continua with substructure, for which internal length scales play a crucial role.

  6. An introduction to hierarchical linear modeling

    Directory of Open Access Journals (Sweden)

    Heather Woltman

    2012-02-01

    Full Text Available This tutorial aims to introduce Hierarchical Linear Modeling (HLM. A simple explanation of HLM is provided that describes when to use this statistical technique and identifies key factors to consider before conducting this analysis. The first section of the tutorial defines HLM, clarifies its purpose, and states its advantages. The second section explains the mathematical theory, equations, and conditions underlying HLM. HLM hypothesis testing is performed in the third section. Finally, the fourth section provides a practical example of running HLM, with which readers can follow along. Throughout this tutorial, emphasis is placed on providing a straightforward overview of the basic principles of HLM.

  7. Universality: Accurate Checks in Dyson's Hierarchical Model

    Science.gov (United States)

    Godina, J. J.; Meurice, Y.; Oktay, M. B.

    2003-06-01

    In this talk we present high-accuracy calculations of the susceptibility near βc for Dyson's hierarchical model in D = 3. Using linear fitting, we estimate the leading (γ) and subleading (Δ) exponents. Independent estimates are obtained by calculating the first two eigenvalues of the linearized renormalization group transformation. We found γ = 1.29914073 ± 10 -8 and, Δ = 0.4259469 ± 10-7 independently of the choice of local integration measure (Ising or Landau-Ginzburg). After a suitable rescaling, the approximate fixed points for a large class of local measure coincide accurately with a fixed point constructed by Koch and Wittwer.

  8. Hierarchical nanoreinforced composites for highly reliable large wind turbines: Computational modelling and optimization

    DEFF Research Database (Denmark)

    Mishnaevsky, Leon

    2014-01-01

    , with modified, hybridor nanomodified structures. In this project, we seek to explore the potential of hybrid (carbon/glass),nanoreinforced and hierarchical composites (with secondary CNT, graphene or nanoclay reinforcement) as future materials for highly reliable large wind turbines. Using 3D multiscale...... computational models ofthe composites, we study the effect of hybrid structure and of nanomodifications on the strength, lifetime and service properties of the materials (see Figure 1). As a result, a series of recommendations toward the improvement of composites for structural applications under long term...

  9. A Hierarchical Bayesian Model for Crowd Emotions

    Science.gov (United States)

    Urizar, Oscar J.; Baig, Mirza S.; Barakova, Emilia I.; Regazzoni, Carlo S.; Marcenaro, Lucio; Rauterberg, Matthias

    2016-01-01

    Estimation of emotions is an essential aspect in developing intelligent systems intended for crowded environments. However, emotion estimation in crowds remains a challenging problem due to the complexity in which human emotions are manifested and the capability of a system to perceive them in such conditions. This paper proposes a hierarchical Bayesian model to learn in unsupervised manner the behavior of individuals and of the crowd as a single entity, and explore the relation between behavior and emotions to infer emotional states. Information about the motion patterns of individuals are described using a self-organizing map, and a hierarchical Bayesian network builds probabilistic models to identify behaviors and infer the emotional state of individuals and the crowd. This model is trained and tested using data produced from simulated scenarios that resemble real-life environments. The conducted experiments tested the efficiency of our method to learn, detect and associate behaviors with emotional states yielding accuracy levels of 74% for individuals and 81% for the crowd, similar in performance with existing methods for pedestrian behavior detection but with novel concepts regarding the analysis of crowds. PMID:27458366

  10. Standard Model in multi-scale theories and observational constraints

    CERN Document Server

    Calcagni, Gianluca; Rodríguez-Fernández, David

    2015-01-01

    We construct and analyze the Standard Model of electroweak and strong interactions in multi-scale spacetimes with (i) weighted derivatives and (ii) $q$-derivatives. Both theories can be formulated in two different frames, called fractional and integer picture. By definition, the fractional picture is where physical predictions should be made. (i) In the theory with weighted derivatives, it is shown that gauge invariance and the requirement of having constant masses in all reference frames make the Standard Model in the integer picture indistinguishable from the ordinary one. Experiments involving only weak and strong forces are insensitive to a change of spacetime dimensionality also in the fractional picture, and only the electromagnetic and gravitational sectors can break the degeneracy. For the simplest multi-scale measures with only one characteristic time, length and energy scale $t_*$, $\\ell_*$ and $E_*$, we compute the Lamb shift in the hydrogen atom and constrain the multi-scale correction to the ordi...

  11. When to Use Hierarchical Linear Modeling

    Directory of Open Access Journals (Sweden)

    Veronika Huta

    2014-04-01

    Full Text Available Previous publications on hierarchical linear modeling (HLM have provided guidance on how to perform the analysis, yet there is relatively little information on two questions that arise even before analysis: Does HLM apply to one’s data and research question? And if it does apply, how does one choose between HLM and other methods sometimes used in these circumstances, including multiple regression, repeated-measures or mixed ANOVA, and structural equation modeling or path analysis? The purpose of this tutorial is to briefly introduce HLM and then to review some of the considerations that are helpful in answering these questions, including the nature of the data, the model to be tested, and the information desired on the output. Some examples of how the same analysis could be performed in HLM, repeated-measures or mixed ANOVA, and structural equation modeling or path analysis are also provided. .

  12. A multiscale modelling of bone ultrastructure elastic proprieties using finite elements simulation and neural network method.

    Science.gov (United States)

    Barkaoui, Abdelwahed; Tlili, Brahim; Vercher-Martínez, Ana; Hambli, Ridha

    2016-10-01

    Bone is a living material with a complex hierarchical structure which entails exceptional mechanical properties, including high fracture toughness, specific stiffness and strength. Bone tissue is essentially composed by two phases distributed in approximately 30-70%: an organic phase (mainly type I collagen and cells) and an inorganic phase (hydroxyapatite-HA-and water). The nanostructure of bone can be represented throughout three scale levels where different repetitive structural units or building blocks are found: at the first level, collagen molecules are arranged in a pentameric structure where mineral crystals grow in specific sites. This primary bone structure constitutes the mineralized collagen microfibril. A structural organization of inter-digitating microfibrils forms the mineralized collagen fibril which represents the second scale level. The third scale level corresponds to the mineralized collagen fibre which is composed by the binding of fibrils. The hierarchical nature of the bone tissue is largely responsible of their significant mechanical properties; consequently, this is a current outstanding research topic. Scarce works in literature correlates the elastic properties in the three scale levels at the bone nanoscale. The main goal of this work is to estimate the elastic properties of the bone tissue in a multiscale approach including a sensitivity analysis of the elastic behaviour at each length scale. This proposal is achieved by means of a novel hybrid multiscale modelling that involves neural network (NN) computations and finite elements method (FEM) analysis. The elastic properties are estimated using a neural network simulation that previously has been trained with the database results of the finite element models. In the results of this work, parametric analysis and averaged elastic constants for each length scale are provided. Likewise, the influence of the elastic constants of the tissue constituents is also depicted. Results highlight

  13. Multi-scale modeling in microstructure evolution of materials

    Institute of Scientific and Technical Information of China (English)

    2005-01-01

    Intelligent design and control of the microstructure to tailor properties of materials is the dream that materials scientists have been worked hard for many years. Formation of research area of computational materials science paves the way to realize the dream. Simulation of microstructure evolution is a chief branch of the computational materials science and has caused great attention from materials researchers. Multi-scale modeling gets popular just within 5- 6 years recently due to huge research works to try to shorten the distance between simulation and application. People have to command one or more classical simulation methods in order to do the multi-scale modeling so chief simulation methods will be discussed first and then more reviews in detail are given to the phase field simulation. The main part of the paper is carried out to introduce two key approaches to do the multi-scale modeling job. It is suggested that extension of the multiscale modeling is necessary to study the technologies to link microstructure simulation, processing simulation and property simulation each other as well as to build bridges between different simulation methods and between analytical models and numerical models.

  14. Multiscale modeling of thermal conductivity of polycrystalline graphene sheets.

    Science.gov (United States)

    Mortazavi, Bohayra; Pötschke, Markus; Cuniberti, Gianaurelio

    2014-03-21

    We developed a multiscale approach to explore the effective thermal conductivity of polycrystalline graphene sheets. By performing equilibrium molecular dynamics (EMD) simulations, the grain size effect on the thermal conductivity of ultra-fine grained polycrystalline graphene sheets is investigated. Our results reveal that the ultra-fine grained graphene structures have thermal conductivity one order of magnitude smaller than that of pristine graphene. Based on the information provided by the EMD simulations, we constructed finite element models of polycrystalline graphene sheets to probe the thermal conductivity of samples with larger grain sizes. Using the developed multiscale approach, we also investigated the effects of grain size distribution and thermal conductivity of grains on the effective thermal conductivity of polycrystalline graphene. The proposed multiscale approach on the basis of molecular dynamics and finite element methods could be used to evaluate the effective thermal conductivity of polycrystalline graphene and other 2D structures.

  15. A hierarchical model of temporal perception.

    Science.gov (United States)

    Pöppel, E

    1997-05-01

    Temporal perception comprises subjective phenomena such as simultaneity, successiveness, temporal order, subjective present, temporal continuity and subjective duration. These elementary temporal experiences are hierarchically related to each other. Functional system states with a duration of 30 ms are implemented by neuronal oscillations and they provide a mechanism to define successiveness. These system states are also responsible for the identification of basic events. For a sequential representation of several events time tags are allocated, resulting in an ordinal representation of such events. A mechanism of temporal integration binds successive events into perceptual units of 3 s duration. Such temporal integration, which is automatic and presemantic, is also operative in movement control and other cognitive activities. Because of the omnipresence of this integration mechanism it is used for a pragmatic definition of the subjective present. Temporal continuity is the result of a semantic connection between successive integration intervals. Subjective duration is known to depend on mental load and attentional demand, high load resulting in long time estimates. In the hierarchical model proposed, system states of 30 ms and integration intervals of 3 s, together with a memory store, provide an explanatory neuro-cognitive machinery for differential subjective duration.

  16. Development of Semantic Description for Multiscale Models of Thermo-Mechanical Treatment of Metal Alloys

    Science.gov (United States)

    Macioł, Piotr; Regulski, Krzysztof

    2016-08-01

    We present a process of semantic meta-model development for data management in an adaptable multiscale modeling framework. The main problems in ontology design are discussed, and a solution achieved as a result of the research is presented. The main concepts concerning the application and data management background for multiscale modeling were derived from the AM3 approach—object-oriented Agile multiscale modeling methodology. The ontological description of multiscale models enables validation of semantic correctness of data interchange between submodels. We also present a possibility of using the ontological model as a supervisor in conjunction with a multiscale model controller and a knowledge base system. Multiscale modeling formal ontology (MMFO), designed for describing multiscale models' data and structures, is presented. A need for applying meta-ontology in the MMFO development process is discussed. Examples of MMFO application in describing thermo-mechanical treatment of metal alloys are discussed. Present and future applications of MMFO are described.

  17. Antiferromagnetic Ising Model in Hierarchical Networks

    Science.gov (United States)

    Cheng, Xiang; Boettcher, Stefan

    2015-03-01

    The Ising antiferromagnet is a convenient model of glassy dynamics. It can introduce geometric frustrations and may give rise to a spin glass phase and glassy relaxation at low temperatures [ 1 ] . We apply the antiferromagnetic Ising model to 3 hierarchical networks which share features of both small world networks and regular lattices. Their recursive and fixed structures make them suitable for exact renormalization group analysis as well as numerical simulations. We first explore the dynamical behaviors using simulated annealing and discover an extremely slow relaxation at low temperatures. Then we employ the Wang-Landau algorithm to investigate the energy landscape and the corresponding equilibrium behaviors for different system sizes. Besides the Monte Carlo methods, renormalization group [ 2 ] is used to study the equilibrium properties in the thermodynamic limit and to compare with the results from simulated annealing and Wang-Landau sampling. Supported through NSF Grant DMR-1207431.

  18. A Liver-centric Multiscale Modeling Framework for Xenobiotics

    Science.gov (United States)

    We describe a multi-scale framework for modeling acetaminophen-induced liver toxicity. Acetaminophen is a widely used analgesic. Overdose of acetaminophen can result in liver injury via its biotransformation into toxic product, which further induce massive necrosis. Our study foc...

  19. Multiscale modeling and simulation of brain blood flow

    Energy Technology Data Exchange (ETDEWEB)

    Perdikaris, Paris, E-mail: parisp@mit.edu [Department of Mechanical Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139 (United States); Grinberg, Leopold, E-mail: leopoldgrinberg@us.ibm.com [IBM T.J Watson Research Center, 1 Rogers St, Cambridge, Massachusetts 02142 (United States); Karniadakis, George Em, E-mail: george-karniadakis@brown.edu [Division of Applied Mathematics, Brown University, Providence, Rhode Island 02912 (United States)

    2016-02-15

    The aim of this work is to present an overview of recent advances in multi-scale modeling of brain blood flow. In particular, we present some approaches that enable the in silico study of multi-scale and multi-physics phenomena in the cerebral vasculature. We discuss the formulation of continuum and atomistic modeling approaches, present a consistent framework for their concurrent coupling, and list some of the challenges that one needs to overcome in achieving a seamless and scalable integration of heterogeneous numerical solvers. The effectiveness of the proposed framework is demonstrated in a realistic case involving modeling the thrombus formation process taking place on the wall of a patient-specific cerebral aneurysm. This highlights the ability of multi-scale algorithms to resolve important biophysical processes that span several spatial and temporal scales, potentially yielding new insight into the key aspects of brain blood flow in health and disease. Finally, we discuss open questions in multi-scale modeling and emerging topics of future research.

  20. Robust Face Recognition by Hierarchical Kernel Associative Memory Models Based on Spatial Domain Gabor Transforms

    Directory of Open Access Journals (Sweden)

    Bai-ling Zhang

    2006-07-01

    Full Text Available Face recognition can be studied as an associative memory (AM problem and kernel-based AM models have been proven efficient. In this paper, a hierarchical Kernel Associative Memory (KAM face recognition scheme with a multiscale Gabor transform, is proposed. The pyramidal multiscale Gabor decomposition proposed by Nestares, Navarro, Portilla and Tabernero not only provides a very efficient implementation of the Gabor transform in the spatial domain, but also permits a fast reconstruction of images. In our method, face images of each person are first decomposed into their multiscale representations by a quasicomplete Gabor transform, which are then modelled by Kernel Associative Memories. In the recognition stage, a query face image is also represented by a Gabor multiresolution pyramid and the reconstructions from different KAM models corresponding to even Gabor channels are then simply summed to give the recall. The recognition scheme was thoroughly tested using several benchmarking face datasets, including the AR faces, UMIST faces, JAFFE faces and Yale A faces, which include different kind of face variations from occlusions, pose, expression and illumination. The experiment results show that the proposed method demonstrated strong robustness in recognizing faces under different conditions, particularly under occlusions, pose alterations and expression changes.

  1. Multi-scale modeling of softening materials

    NARCIS (Netherlands)

    Lloberas Valls, O.; Simone, A.; Sluys, L.J.

    2008-01-01

    This paper presents an assessment of a two-scale framework for the study of softening materials. The procedure is based on a hierarchical Finite Element (FE) scheme in which computations are performed both at macro and mesoscopic scale levels. The methodology is chosen specifically to remain valid

  2. Multiscale model reduction for shale gas transport in fractured media

    KAUST Repository

    Akkutlu, I. Y.

    2016-05-18

    In this paper, we develop a multiscale model reduction technique that describes shale gas transport in fractured media. Due to the pore-scale heterogeneities and processes, we use upscaled models to describe the matrix. We follow our previous work (Akkutlu et al. Transp. Porous Media 107(1), 235–260, 2015), where we derived an upscaled model in the form of generalized nonlinear diffusion model to describe the effects of kerogen. To model the interaction between the matrix and the fractures, we use Generalized Multiscale Finite Element Method (Efendiev et al. J. Comput. Phys. 251, 116–135, 2013, 2015). In this approach, the matrix and the fracture interaction is modeled via local multiscale basis functions. In Efendiev et al. (2015), we developed the GMsFEM and applied for linear flows with horizontal or vertical fracture orientations aligned with a Cartesian fine grid. The approach in Efendiev et al. (2015) does not allow handling arbitrary fracture distributions. In this paper, we (1) consider arbitrary fracture distributions on an unstructured grid; (2) develop GMsFEM for nonlinear flows; and (3) develop online basis function strategies to adaptively improve the convergence. The number of multiscale basis functions in each coarse region represents the degrees of freedom needed to achieve a certain error threshold. Our approach is adaptive in a sense that the multiscale basis functions can be added in the regions of interest. Numerical results for two-dimensional problem are presented to demonstrate the efficiency of proposed approach. © 2016 Springer International Publishing Switzerland

  3. Phase transition study of confined water molecules inside carbon nanotubes: hierarchical multiscale method from molecular dynamics simulation to ab initio calculation.

    Science.gov (United States)

    Javadian, Soheila; Taghavi, Fariba; Yari, Faramarz; Hashemianzadeh, Seyed Majid

    2012-09-01

    In this study, the mechanism of the temperature-dependent phase transition of confined water inside a (9,9) single-walled carbon nanotube (SWCNT) was studied using the hierarchical multi-scale modeling techniques of molecular dynamics (MD) and density functional theory (DFT). The MD calculations verify the formation of hexagonal ice nanotubes at the phase transition temperature T(c)=275K by a sharp change in the location of the oxygen atoms inside the SWCNT. Natural bond orbital (NBO) analysis provides evidence of considerable intermolecular charge transfer during the phase transition and verifies that the ice nanotube contains two different forms of hydrogen bonding due to confinement. Nuclear quadrupole resonance (NQR) and nuclear magnetic resonance (NMR) analyses were used to demonstrate the fundamental influence of intermolecular hydrogen bonding interactions on the formation and electronic structure of ice nanotubes. In addition, the NQR analysis revealed that the rearrangement of nano-confined water molecules during the phase transition could be detected directly by the orientation of ¹⁷O atom EFG tensor components related to the molecular frame axes. The effects of nanoscale confinements in ice nanotubes and water clusters were analyzed by experimentally observable NMR and NQR parameters. These findings showed a close relationship between the phase behavior and orientation of the electronic structure in nanoscale structures and demonstrate the usefulness of NBO and NQR parameters for detecting phase transition phenomena in nanoscale confining environments.

  4. Hierarchical Data Structures, Institutional Research, and Multilevel Modeling

    Science.gov (United States)

    O'Connell, Ann A.; Reed, Sandra J.

    2012-01-01

    Multilevel modeling (MLM), also referred to as hierarchical linear modeling (HLM) or mixed models, provides a powerful analytical framework through which to study colleges and universities and their impact on students. Due to the natural hierarchical structure of data obtained from students or faculty in colleges and universities, MLM offers many…

  5. Reduced Noise Effect in Nonlinear Model Estimation Using Multiscale Representation

    Directory of Open Access Journals (Sweden)

    Mohamed N. Nounou

    2010-01-01

    Full Text Available Nonlinear process models are widely used in various applications. In the absence of fundamental models, it is usually relied on empirical models, which are estimated from measurements of the process variables. Unfortunately, measured data are usually corrupted with measurement noise that degrades the accuracy of the estimated models. Multiscale wavelet-based representation of data has been shown to be a powerful data analysis and feature extraction tool. In this paper, these characteristics of multiscale representation are utilized to improve the estimation accuracy of the linear-in-the-parameters nonlinear model by developing a multiscale nonlinear (MSNL modeling algorithm. The main idea in this MSNL modeling algorithm is to decompose the data at multiple scales, construct multiple nonlinear models at multiple scales, and then select among all scales the model which best describes the process. The main advantage of the developed algorithm is that it integrates modeling and feature extraction to improve the robustness of the estimated model to the presence of measurement noise in the data. This advantage of MSNL modeling is demonstrated using a nonlinear reactor model.

  6. Multi-scale atmospheric environment modelling for urban areas

    Directory of Open Access Journals (Sweden)

    A. A. Baklanov

    2009-04-01

    Full Text Available Modern supercomputers allow realising multi-scale systems for assessment and forecasting of urban meteorology, air pollution and emergency preparedness and considering nesting with obstacle-resolved models. A multi-scale modelling system with downscaling from regional to city-scale with the Environment – HIgh Resolution Limited Area Model (Enviro-HIRLAM and to micro-scale with the obstacle-resolved Micro-scale Model for Urban Environment (M2UE is suggested and demonstrated. The M2UE validation results versus the Mock Urban Setting Trial (MUST experiment indicate satisfactory quality of the model. Necessary conditions for the choice of nested models, building descriptions, areas and resolutions of nested models are analysed. Two-way nesting (up- and down-scaling, when scale effects both directions (from the meso-scale on the micro-scale and from the micro-scale on the meso-scale, is also discussed.

  7. Entrepreneurial intention modeling using hierarchical multiple regression

    Directory of Open Access Journals (Sweden)

    Marina Jeger

    2014-12-01

    Full Text Available The goal of this study is to identify the contribution of effectuation dimensions to the predictive power of the entrepreneurial intention model over and above that which can be accounted for by other predictors selected and confirmed in previous studies. As is often the case in social and behavioral studies, some variables are likely to be highly correlated with each other. Therefore, the relative amount of variance in the criterion variable explained by each of the predictors depends on several factors such as the order of variable entry and sample specifics. The results show the modest predictive power of two dimensions of effectuation prior to the introduction of the theory of planned behavior elements. The article highlights the main advantages of applying hierarchical regression in social sciences as well as in the specific context of entrepreneurial intention formation, and addresses some of the potential pitfalls that this type of analysis entails.

  8. Mathematical and Numerical Analyses of Peridynamics for Multiscale Materials Modeling

    Energy Technology Data Exchange (ETDEWEB)

    Du, Qiang [Pennsylvania State Univ., State College, PA (United States)

    2014-11-12

    The rational design of materials, the development of accurate and efficient material simulation algorithms, and the determination of the response of materials to environments and loads occurring in practice all require an understanding of mechanics at disparate spatial and temporal scales. The project addresses mathematical and numerical analyses for material problems for which relevant scales range from those usually treated by molecular dynamics all the way up to those most often treated by classical elasticity. The prevalent approach towards developing a multiscale material model couples two or more well known models, e.g., molecular dynamics and classical elasticity, each of which is useful at a different scale, creating a multiscale multi-model. However, the challenges behind such a coupling are formidable and largely arise because the atomistic and continuum models employ nonlocal and local models of force, respectively. The project focuses on a multiscale analysis of the peridynamics materials model. Peridynamics can be used as a transition between molecular dynamics and classical elasticity so that the difficulties encountered when directly coupling those two models are mitigated. In addition, in some situations, peridynamics can be used all by itself as a material model that accurately and efficiently captures the behavior of materials over a wide range of spatial and temporal scales. Peridynamics is well suited to these purposes because it employs a nonlocal model of force, analogous to that of molecular dynamics; furthermore, at sufficiently large length scales and assuming smooth deformation, peridynamics can be approximated by classical elasticity. The project will extend the emerging mathematical and numerical analysis of peridynamics. One goal is to develop a peridynamics-enabled multiscale multi-model that potentially provides a new and more extensive mathematical basis for coupling classical elasticity and molecular dynamics, thus enabling next

  9. Multi-scale modeling of inter-granular fracture in UO2

    Energy Technology Data Exchange (ETDEWEB)

    Chakraborty, Pritam [Idaho National Lab. (INL), Idaho Falls, ID (United States); Zhang, Yongfeng [Idaho National Lab. (INL), Idaho Falls, ID (United States); Tonks, Michael R. [Idaho National Lab. (INL), Idaho Falls, ID (United States); Biner, S. Bulent [Idaho National Lab. (INL), Idaho Falls, ID (United States)

    2015-03-01

    A hierarchical multi-scale approach is pursued in this work to investigate the influence of porosity, pore and grain size on the intergranular brittle fracture in UO2. In this approach, molecular dynamics simulations are performed to obtain the fracture properties for different grain boundary types. A phase-field model is then utilized to perform intergranular fracture simulations of representative microstructures with different porosities, pore and grain sizes. In these simulations the grain boundary fracture properties obtained from molecular dynamics simulations are used. The responses from the phase-field fracture simulations are then fitted with a stress-based brittle fracture model usable at the engineering scale. This approach encapsulates three different length and time scales, and allows the development of microstructurally informed engineering scale model from properties evaluated at the atomistic scale.

  10. Anisotropic constitutive model incorporating multiple damage mechanisms for multiscale simulation of dental enamel.

    Science.gov (United States)

    Ma, Songyun; Scheider, Ingo; Bargmann, Swantje

    2016-09-01

    An anisotropic constitutive model is proposed in the framework of finite deformation to capture several damage mechanisms occurring in the microstructure of dental enamel, a hierarchical bio-composite. It provides the basis for a homogenization approach for an efficient multiscale (in this case: multiple hierarchy levels) investigation of the deformation and damage behavior. The influence of tension-compression asymmetry and fiber-matrix interaction on the nonlinear deformation behavior of dental enamel is studied by 3D micromechanical simulations under different loading conditions and fiber lengths. The complex deformation behavior and the characteristics and interaction of three damage mechanisms in the damage process of enamel are well captured. The proposed constitutive model incorporating anisotropic damage is applied to the first hierarchical level of dental enamel and validated by experimental results. The effect of the fiber orientation on the damage behavior and compressive strength is studied by comparing micro-pillar experiments of dental enamel at the first hierarchical level in multiple directions of fiber orientation. A very good agreement between computational and experimental results is found for the damage evolution process of dental enamel.

  11. Final Report for Integrated Multiscale Modeling of Molecular Computing Devices

    Energy Technology Data Exchange (ETDEWEB)

    Glotzer, Sharon C.

    2013-08-28

    In collaboration with researchers at Vanderbilt University, North Carolina State University, Princeton and Oakridge National Laboratory we developed multiscale modeling and simulation methods capable of modeling the synthesis, assembly, and operation of molecular electronics devices. Our role in this project included the development of coarse-grained molecular and mesoscale models and simulation methods capable of simulating the assembly of millions of organic conducting molecules and other molecular components into nanowires, crossbars, and other organized patterns.

  12. Multiscale Modeling and Uncertainty Quantification for Nuclear Fuel Performance

    Energy Technology Data Exchange (ETDEWEB)

    Estep, Donald [Colorado State Univ., Fort Collins, CO (United States); El-Azab, Anter [Florida State Univ., Tallahassee, FL (United States); Pernice, Michael [Idaho National Lab. (INL), Idaho Falls, ID (United States); Peterson, John W. [Idaho National Lab. (INL), Idaho Falls, ID (United States); Polyakov, Peter [Univ. of Wyoming, Laramie, WY (United States); Tavener, Simon [Colorado State Univ., Fort Collins, CO (United States); Xiu, Dongbin [Purdue Univ., West Lafayette, IN (United States); Univ. of Utah, Salt Lake City, UT (United States)

    2017-03-23

    In this project, we will address the challenges associated with constructing high fidelity multiscale models of nuclear fuel performance. We (*) propose a novel approach for coupling mesoscale and macroscale models, (*) devise efficient numerical methods for simulating the coupled system, and (*) devise and analyze effective numerical approaches for error and uncertainty quantification for the coupled multiscale system. As an integral part of the project, we will carry out analysis of the effects of upscaling and downscaling, investigate efficient methods for stochastic sensitivity analysis of the individual macroscale and mesoscale models, and carry out a posteriori error analysis for computed results. We will pursue development and implementation of solutions in software used at Idaho National Laboratories on models of interest to the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program.

  13. Hierarchical spatiotemporal matrix models for characterizing invasions.

    Science.gov (United States)

    Hooten, Mevin B; Wikle, Christopher K; Dorazio, Robert M; Royle, J Andrew

    2007-06-01

    The growth and dispersal of biotic organisms is an important subject in ecology. Ecologists are able to accurately describe survival and fecundity in plant and animal populations and have developed quantitative approaches to study the dynamics of dispersal and population size. Of particular interest are the dynamics of invasive species. Such nonindigenous animals and plants can levy significant impacts on native biotic communities. Effective models for relative abundance have been developed; however, a better understanding of the dynamics of actual population size (as opposed to relative abundance) in an invasion would be beneficial to all branches of ecology. In this article, we adopt a hierarchical Bayesian framework for modeling the invasion of such species while addressing the discrete nature of the data and uncertainty associated with the probability of detection. The nonlinear dynamics between discrete time points are intuitively modeled through an embedded deterministic population model with density-dependent growth and dispersal components. Additionally, we illustrate the importance of accommodating spatially varying dispersal rates. The method is applied to the specific case of the Eurasian Collared-Dove, an invasive species at mid-invasion in the United States at the time of this writing.

  14. Hybrid multiscale modeling and prediction of cancer cell behavior.

    Science.gov (United States)

    Zangooei, Mohammad Hossein; Habibi, Jafar

    2017-01-01

    Understanding cancer development crossing several spatial-temporal scales is of great practical significance to better understand and treat cancers. It is difficult to tackle this challenge with pure biological means. Moreover, hybrid modeling techniques have been proposed that combine the advantages of the continuum and the discrete methods to model multiscale problems. In light of these problems, we have proposed a new hybrid vascular model to facilitate the multiscale modeling and simulation of cancer development with respect to the agent-based, cellular automata and machine learning methods. The purpose of this simulation is to create a dataset that can be used for prediction of cell phenotypes. By using a proposed Q-learning based on SVR-NSGA-II method, the cells have the capability to predict their phenotypes autonomously that is, to act on its own without external direction in response to situations it encounters. Computational simulations of the model were performed in order to analyze its performance. The most striking feature of our results is that each cell can select its phenotype at each time step according to its condition. We provide evidence that the prediction of cell phenotypes is reliable. Our proposed model, which we term a hybrid multiscale modeling of cancer cell behavior, has the potential to combine the best features of both continuum and discrete models. The in silico results indicate that the 3D model can represent key features of cancer growth, angiogenesis, and its related micro-environment and show that the findings are in good agreement with biological tumor behavior. To the best of our knowledge, this paper is the first hybrid vascular multiscale modeling of cancer cell behavior that has the capability to predict cell phenotypes individually by a self-generated dataset.

  15. Multiscale geometric modeling of macromolecules II: Lagrangian representation.

    Science.gov (United States)

    Feng, Xin; Xia, Kelin; Chen, Zhan; Tong, Yiying; Wei, Guo-Wei

    2013-09-15

    Geometric modeling of biomolecules plays an essential role in the conceptualization of biolmolecular structure, function, dynamics, and transport. Qualitatively, geometric modeling offers a basis for molecular visualization, which is crucial for the understanding of molecular structure and interactions. Quantitatively, geometric modeling bridges the gap between molecular information, such as that from X-ray, NMR, and cryo-electron microscopy, and theoretical/mathematical models, such as molecular dynamics, the Poisson-Boltzmann equation, and the Nernst-Planck equation. In this work, we present a family of variational multiscale geometric models for macromolecular systems. Our models are able to combine multiresolution geometric modeling with multiscale electrostatic modeling in a unified variational framework. We discuss a suite of techniques for molecular surface generation, molecular surface meshing, molecular volumetric meshing, and the estimation of Hadwiger's functionals. Emphasis is given to the multiresolution representations of biomolecules and the associated multiscale electrostatic analyses as well as multiresolution curvature characterizations. The resulting fine resolution representations of a biomolecular system enable the detailed analysis of solvent-solute interaction, and ion channel dynamics, whereas our coarse resolution representations highlight the compatibility of protein-ligand bindings and possibility of protein-protein interactions.

  16. A survey on stochastic multi-scale modeling in biomechanics: computational challenges

    CERN Document Server

    Favino, Marco; Pivkin, Igor

    2016-01-01

    During the last decade, multi-scale models in mechanics, bio-mechanics and life sciences have gained increasing attention. Using multi-scale approaches, effects on different time and length scales, such as, e.g., cellular and organ scale, can be coupled and their interaction can be studied. Clearly, this requires the development of new mathematical models and numerical methods for multi-scale problems, in order to provide reliable and efficient tools for the investigation of multi-scale effects. Here, we give an overview on existing numerical approaches for multi-scale simulations in bio-mechanics with particular emphasis on stochastic effects.

  17. Multiscale Turbulence Models Based on Convected Fluid Microstructure

    CERN Document Server

    Holm, Darryl D

    2012-01-01

    The Euler-Poincar\\'e approach to complex fluids is used to derive multiscale equations for computationally modelling Euler flows as a basis for modelling turbulence. The model is based on a \\emph{kinematic sweeping ansatz} (KSA) which assumes that the mean fluid flow serves as a Lagrangian frame of motion for the fluctuation dynamics. Thus, we regard the motion of a fluid parcel on the computationally resolvable length scales as a moving Lagrange coordinate for the fluctuating (zero-mean) motion of fluid parcels at the unresolved scales. Even in the simplest 2-scale version on which we concentrate here, the contributions of the fluctuating motion under the KSA to the mean motion yields a system of equations that extends known results and appears to be suitable for modelling nonlinear backscatter (energy transfer from smaller to larger scales) in turbulence using multiscale methods.

  18. Multiscale modeling and simulation of nanotube-based torsional oscillators

    Directory of Open Access Journals (Sweden)

    Xiao Shaoping

    2006-01-01

    Full Text Available AbstractIn this paper, we propose the first numerical study of nanotube-based torsional oscillators via developing a new multiscale model. The edge-to-edge technique was employed in this multiscale method to couple the molecular model, i.e., nanotubes, and the continuum model, i.e., the metal paddle. Without losing accuracy, the metal paddle was treated as the rigid body in the continuum model. Torsional oscillators containing (10,0 nanotubes were mainly studied. We considered various initial angles of twist to depict linear/nonlinear characteristics of torsional oscillators. Furthermore, effects of vacancy defects and temperature on mechanisms of nanotube-based torsional oscillators were discussed.

  19. Moist multi-scale models for the hurricane embryo

    Energy Technology Data Exchange (ETDEWEB)

    Majda, Andrew J. [New York University; Xing, Yulong [ORNL; Mohammadian, Majid [University of Ottawa, Canada

    2010-01-01

    Determining the finite-amplitude preconditioned states in the hurricane embryo, which lead to tropical cyclogenesis, is a central issue in contemporary meteorology. In the embryo there is competition between different preconditioning mechanisms involving hydrodynamics and moist thermodynamics, which can lead to cyclogenesis. Here systematic asymptotic methods from applied mathematics are utilized to develop new simplified moist multi-scale models starting from the moist anelastic equations. Three interesting multi-scale models emerge in the analysis. The balanced mesoscale vortex (BMV) dynamics and the microscale balanced hot tower (BHT) dynamics involve simplified balanced equations without gravity waves for vertical vorticity amplification due to moist heat sources and incorporate nonlinear advective fluxes across scales. The BMV model is the central one for tropical cyclogenesis in the embryo. The moist mesoscale wave (MMW) dynamics involves simplified equations for mesoscale moisture fluctuations, as well as linear hydrostatic waves driven by heat sources from moisture and eddy flux divergences. A simplified cloud physics model for deep convection is introduced here and used to study moist axisymmetric plumes in the BHT model. A simple application in periodic geometry involving the effects of mesoscale vertical shear and moist microscale hot towers on vortex amplification is developed here to illustrate features of the coupled multi-scale models. These results illustrate the use of these models in isolating key mechanisms in the embryo in a simplified content.

  20. Statistical multiscale image segmentation via Alpha-stable modeling

    OpenAIRE

    Wan, Tao; Canagarajah, CN; Achim, AM

    2007-01-01

    This paper presents a new statistical image segmentation algorithm, in which the texture features are modeled by symmetric alpha-stable (SalphaS) distributions. These features are efficiently combined with the dominant color feature to perform automatic segmentation. First, the image is roughly segmented into textured and nontextured regions using the dual-tree complex wavelet transform (DT-CWT) with the sub-band coefficients modeled as SalphaS random variables. A mul-tiscale segmentation is ...

  1. One dimensional and multiscale models for blood flow circulation

    OpenAIRE

    Lamponi, Daniele

    2004-01-01

    The aim of this work is to provide mathematically sound and computationally effective tools for the numerical simulation of the interaction between fluid and structures as occurring, for instance, in the simulation of the human cardiovascular system. This problem is global, in the sense that local changes can modify the solution far away. From the point of view of computing and modelling this calls for the use of multiscale methods, where simplified models are used to treat the global problem...

  2. Multiscale modelling of fluid-immersed granular media

    OpenAIRE

    Clément, Christian Paul André René

    2010-01-01

    In this thesis we present numerical simulation studies of fluid-immersed granular systems using models of varying scales and complexities. These techniques are used to examine the effects of an interstitial fluid on the dynamics of dense granular beds within a number of vibrated systems. After an introduction to the field of granular materials, we present the techniques used to model both the granular dynamics and the fluid flow. We introduce various multiscale techniques to couple the mo...

  3. Constructive Epistemic Modeling: A Hierarchical Bayesian Model Averaging Method

    Science.gov (United States)

    Tsai, F. T. C.; Elshall, A. S.

    2014-12-01

    Constructive epistemic modeling is the idea that our understanding of a natural system through a scientific model is a mental construct that continually develops through learning about and from the model. Using the hierarchical Bayesian model averaging (HBMA) method [1], this study shows that segregating different uncertain model components through a BMA tree of posterior model probabilities, model prediction, within-model variance, between-model variance and total model variance serves as a learning tool [2]. First, the BMA tree of posterior model probabilities permits the comparative evaluation of the candidate propositions of each uncertain model component. Second, systemic model dissection is imperative for understanding the individual contribution of each uncertain model component to the model prediction and variance. Third, the hierarchical representation of the between-model variance facilitates the prioritization of the contribution of each uncertain model component to the overall model uncertainty. We illustrate these concepts using the groundwater modeling of a siliciclastic aquifer-fault system. The sources of uncertainty considered are from geological architecture, formation dip, boundary conditions and model parameters. The study shows that the HBMA analysis helps in advancing knowledge about the model rather than forcing the model to fit a particularly understanding or merely averaging several candidate models. [1] Tsai, F. T.-C., and A. S. Elshall (2013), Hierarchical Bayesian model averaging for hydrostratigraphic modeling: Uncertainty segregation and comparative evaluation. Water Resources Research, 49, 5520-5536, doi:10.1002/wrcr.20428. [2] Elshall, A.S., and F. T.-C. Tsai (2014). Constructive epistemic modeling of groundwater flow with geological architecture and boundary condition uncertainty under Bayesian paradigm, Journal of Hydrology, 517, 105-119, doi: 10.1016/j.jhydrol.2014.05.027.

  4. Classifying hospitals as mortality outliers: logistic versus hierarchical logistic models.

    Science.gov (United States)

    Alexandrescu, Roxana; Bottle, Alex; Jarman, Brian; Aylin, Paul

    2014-05-01

    The use of hierarchical logistic regression for provider profiling has been recommended due to the clustering of patients within hospitals, but has some associated difficulties. We assess changes in hospital outlier status based on standard logistic versus hierarchical logistic modelling of mortality. The study population consisted of all patients admitted to acute, non-specialist hospitals in England between 2007 and 2011 with a primary diagnosis of acute myocardial infarction, acute cerebrovascular disease or fracture of neck of femur or a primary procedure of coronary artery bypass graft or repair of abdominal aortic aneurysm. We compared standardised mortality ratios (SMRs) from non-hierarchical models with SMRs from hierarchical models, without and with shrinkage estimates of the predicted probabilities (Model 1 and Model 2). The SMRs from standard logistic and hierarchical models were highly statistically significantly correlated (r > 0.91, p = 0.01). More outliers were recorded in the standard logistic regression than hierarchical modelling only when using shrinkage estimates (Model 2): 21 hospitals (out of a cumulative number of 565 pairs of hospitals under study) changed from a low outlier and 8 hospitals changed from a high outlier based on the logistic regression to a not-an-outlier based on shrinkage estimates. Both standard logistic and hierarchical modelling have identified nearly the same hospitals as mortality outliers. The choice of methodological approach should, however, also consider whether the modelling aim is judgment or improvement, as shrinkage may be more appropriate for the former than the latter.

  5. Higher-Order Item Response Models for Hierarchical Latent Traits

    Science.gov (United States)

    Huang, Hung-Yu; Wang, Wen-Chung; Chen, Po-Hsi; Su, Chi-Ming

    2013-01-01

    Many latent traits in the human sciences have a hierarchical structure. This study aimed to develop a new class of higher order item response theory models for hierarchical latent traits that are flexible in accommodating both dichotomous and polytomous items, to estimate both item and person parameters jointly, to allow users to specify…

  6. On the renormalization group transformation for scalar hierarchical models

    Energy Technology Data Exchange (ETDEWEB)

    Koch, H. (Texas Univ., Austin (USA). Dept. of Mathematics); Wittwer, P. (Geneva Univ. (Switzerland). Dept. de Physique Theorique)

    1991-06-01

    We give a new proof for the existence of a non-Gaussian hierarchical renormalization group fixed point, using what could be called a beta-function for this problem. We also discuss the asymptotic behavior of this fixed point, and the connection between the hierarchical models of Dyson and Gallavotti. (orig.).

  7. Multiphysics and multiscale modelling, data–model fusion and integration of organ physiology in the clinic: ventricular cardiac mechanics

    Science.gov (United States)

    Chabiniok, Radomir; Wang, Vicky Y.; Hadjicharalambous, Myrianthi; Asner, Liya; Lee, Jack; Sermesant, Maxime; Kuhl, Ellen; Young, Alistair A.; Moireau, Philippe; Nash, Martyn P.; Chapelle, Dominique

    2016-01-01

    With heart and cardiovascular diseases continually challenging healthcare systems worldwide, translating basic research on cardiac (patho)physiology into clinical care is essential. Exacerbating this already extensive challenge is the complexity of the heart, relying on its hierarchical structure and function to maintain cardiovascular flow. Computational modelling has been proposed and actively pursued as a tool for accelerating research and translation. Allowing exploration of the relationships between physics, multiscale mechanisms and function, computational modelling provides a platform for improving our understanding of the heart. Further integration of experimental and clinical data through data assimilation and parameter estimation techniques is bringing computational models closer to use in routine clinical practice. This article reviews developments in computational cardiac modelling and how their integration with medical imaging data is providing new pathways for translational cardiac modelling. PMID:27051509

  8. Materials with internal structure multiscale and multifield modeling and simulation

    CERN Document Server

    2016-01-01

    The book presents a series of concise papers by researchers specialized in various fields of continuum and computational mechanics and of material science. The focus is on principles and strategies for multiscale modeling and simulation of complex heterogeneous materials, with periodic or random microstructure, subjected to various types of mechanical, thermal, chemical loadings and environmental effects. A wide overview of complex behavior of materials (plasticity, damage, fracture, growth, etc.) is provided. Among various approaches, attention is given to advanced non-classical continua modeling which, provided by constitutive characterization for the internal and external actions (in particular boundary conditions), is a very powerful frame for the gross mechanical description of complex material behaviors, able to circumvent the restrictions of classical coarse–graining multiscale approaches.

  9. Multiscale modeling and mechanics of filamentous actin cytoskeleton.

    Science.gov (United States)

    Yamaoka, Hidetaka; Matsushita, Shinji; Shimada, Yoshitaka; Adachi, Taiji

    2012-03-01

    The adaptive structure and functional changes of the actin cytoskeleton are induced by its mechanical behavior at various temporal and spatial scales. In particular, the mechanical behaviors at different scales play important roles in the mechanical functions of various cells, and these multiscale phenomena require clarification. To establish a milestone toward achieving multiscale modeling and simulation, this paper reviews mathematical analyses and simulation methods applied to the mechanics of the filamentous actin cytoskeleton. The actin cytoskeleton demonstrates characteristic behaviors at every temporal and spatial scale, and mathematical models and simulation methods can be applied to each level of actin cytoskeletal structure ranging from the molecular to the network level. This paper considers studies on mathematical models and simulation methods based on the molecular dynamics, coarse-graining, and continuum dynamics approaches. Every temporal and spatial scale of actin cytoskeletal structure is considered, and it is expected that discrete and continuum dynamics ranging from functional expression at the molecular level to macroscopic functional expression at the whole cell level will be developed and applied to multiscale modeling and simulation.

  10. Modeling Damage in Composite Materials Using an Enrichment Based Multiscale Method

    Science.gov (United States)

    2015-03-01

    Technical Report ARWSB-TR-15002 Modeling Damage in Composite Materials Using an Enrichment Based Multiscale Method Michael F...4. TITLE AND SUBTITLE Modeling Damage in Composite Materials Using an Enrichment Based Multiscale Method 5a. CONTRACT NUMBER 5b...the RVE and how microdamage can be incorporated into the model . For many applications the material used in the multiscale model is some type of fiber

  11. Multiscale computer modeling in biomechanics and biomedical engineering

    CERN Document Server

    2013-01-01

    This book reviews the state-of-the-art in multiscale computer modeling, in terms of both accomplishments and challenges. The information in the book is particularly useful for biomedical engineers, medical physicists and researchers in systems biology, mathematical biology, micro-biomechanics and biomaterials who are interested in how to bridge between traditional biomedical engineering work at the organ and tissue scales, and the newer arenas of cellular and molecular bioengineering.

  12. Asymptotic-Preserving methods and multiscale models for plasma physics

    CERN Document Server

    Degond, Pierre

    2016-01-01

    The purpose of the present paper is to provide an overview of Asymptotic-Preserving methods for multiscale plasma simulations by addressing three singular perturbation problems. First, the quasi-neutral limit of fluid and kinetic models is investigated in the framework of non magnetized as well as magnetized plasmas. Second, the drift limit for fluid descriptions of thermal plasmas under large magnetic fields is addressed. Finally efficient numerical resolutions of anisotropic elliptic or diffusion equations arising in magnetized plasma simulation are reviewed.

  13. Multiscale vision model for event detection and reconstruction in two-photon imaging data

    DEFF Research Database (Denmark)

    Brazhe, Alexey; Mathiesen, Claus; Lind, Barbara Lykke;

    2014-01-01

    Reliable detection of calcium waves in multiphoton imaging data is challenging because of the low signal-to-noise ratio and because of the unpredictability of the time and location of these spontaneous events. This paper describes our approach to calcium wave detection and reconstruction based...... on a modified multiscale vision model, an object detection framework based on the thresholding of wavelet coefficients and hierarchical trees of significant coefficients followed by nonlinear iterative partial object reconstruction, for the analysis of two-photon calcium imaging data. The framework is discussed...... in the context of detection and reconstruction of intercellular glial calcium waves. We extend the framework by a different decomposition algorithm and iterative reconstruction of the detected objects. Comparison with several popular state-of-the-art image denoising methods shows that performance...

  14. Hierarchical Geometric Constraint Model for Parametric Feature Based Modeling

    Institute of Scientific and Technical Information of China (English)

    高曙明; 彭群生

    1997-01-01

    A new geometric constraint model is described,which is hierarchical and suitable for parametric feature based modeling.In this model,different levels of geometric information are repesented to support various stages of a design process.An efficient approach to parametric feature based modeling is also presented,adopting the high level geometric constraint model.The low level geometric model such as B-reps can be derived automatically from the hig level geometric constraint model,enabling designers to perform their task of detailed design.

  15. A Hierarchical Multiscale Particle Computational Method for Simulation of Nanoscale Flows on 3D Unstructured Grids

    Science.gov (United States)

    2009-08-14

    involving particle simu- lation of fluid flows at the mesoscale. The Smooth Dissipative Particle Dynamics (SDPD) method developed by Espanol and...coefficients in the SDPD model equations are given in Espanol and Revenga (2003), 30 2.1 SDPD Computational Implementation The SDPD model has been...pp. 786-793. 10 Espanol , P. and Revenga, M. Smoothed Dissipative Particle Dynamics. Physical Review, 2003, Vol. 67. 31 Liu G.R. and Liu, M.B

  16. What are hierarchical models and how do we analyze them?

    Science.gov (United States)

    Royle, Andy

    2016-01-01

    In this chapter we provide a basic definition of hierarchical models and introduce the two canonical hierarchical models in this book: site occupancy and N-mixture models. The former is a hierarchical extension of logistic regression and the latter is a hierarchical extension of Poisson regression. We introduce basic concepts of probability modeling and statistical inference including likelihood and Bayesian perspectives. We go through the mechanics of maximizing the likelihood and characterizing the posterior distribution by Markov chain Monte Carlo (MCMC) methods. We give a general perspective on topics such as model selection and assessment of model fit, although we demonstrate these topics in practice in later chapters (especially Chapters 5, 6, 7, and 10 Chapter 5 Chapter 6 Chapter 7 Chapter 10)

  17. Standard Model in multiscale theories and observational constraints

    Science.gov (United States)

    Calcagni, Gianluca; Nardelli, Giuseppe; Rodríguez-Fernández, David

    2016-08-01

    We construct and analyze the Standard Model of electroweak and strong interactions in multiscale spacetimes with (i) weighted derivatives and (ii) q -derivatives. Both theories can be formulated in two different frames, called fractional and integer picture. By definition, the fractional picture is where physical predictions should be made. (i) In the theory with weighted derivatives, it is shown that gauge invariance and the requirement of having constant masses in all reference frames make the Standard Model in the integer picture indistinguishable from the ordinary one. Experiments involving only weak and strong forces are insensitive to a change of spacetime dimensionality also in the fractional picture, and only the electromagnetic and gravitational sectors can break the degeneracy. For the simplest multiscale measures with only one characteristic time, length and energy scale t*, ℓ* and E*, we compute the Lamb shift in the hydrogen atom and constrain the multiscale correction to the ordinary result, getting the absolute upper bound t*28 TeV . Stronger bounds are obtained from the measurement of the fine-structure constant. (ii) In the theory with q -derivatives, considering the muon decay rate and the Lamb shift in light atoms, we obtain the independent absolute upper bounds t*35 MeV . For α0=1 /2 , the Lamb shift alone yields t*450 GeV .

  18. Hierarchical Neural Regression Models for Customer Churn Prediction

    Directory of Open Access Journals (Sweden)

    Golshan Mohammadi

    2013-01-01

    Full Text Available As customers are the main assets of each industry, customer churn prediction is becoming a major task for companies to remain in competition with competitors. In the literature, the better applicability and efficiency of hierarchical data mining techniques has been reported. This paper considers three hierarchical models by combining four different data mining techniques for churn prediction, which are backpropagation artificial neural networks (ANN, self-organizing maps (SOM, alpha-cut fuzzy c-means (α-FCM, and Cox proportional hazards regression model. The hierarchical models are ANN + ANN + Cox, SOM + ANN + Cox, and α-FCM + ANN + Cox. In particular, the first component of the models aims to cluster data in two churner and nonchurner groups and also filter out unrepresentative data or outliers. Then, the clustered data as the outputs are used to assign customers to churner and nonchurner groups by the second technique. Finally, the correctly classified data are used to create Cox proportional hazards model. To evaluate the performance of the hierarchical models, an Iranian mobile dataset is considered. The experimental results show that the hierarchical models outperform the single Cox regression baseline model in terms of prediction accuracy, Types I and II errors, RMSE, and MAD metrics. In addition, the α-FCM + ANN + Cox model significantly performs better than the two other hierarchical models.

  19. Biotemplate synthesis of polyaniline@cellulose nanowhiskers/natural rubber nanocomposites with 3D hierarchical multiscale structure and improved electrical conductivity.

    Science.gov (United States)

    Wu, Xiaodong; Lu, Canhui; Xu, Haoyu; Zhang, Xinxing; Zhou, Zehang

    2014-12-10

    Development of novel and versatile strategies to construct conductive polymer composites with low percolation thresholds and high mechanical properties is of great importance. In this work, we report a facile and effective strategy to prepare polyaniline@cellulose nanowhiskers (PANI@CNs)/natural rubber (NR) nanocomposites with 3D hierarchical multiscale structure. Specifically, PANI was synthesized in situ on the surface of CNs biotemplate to form PANI@CNs nanohybrids with high aspect ratio and good dispersity. Then NR latex was introduced into PANI@CNs nanohybrids suspension to enable the self-assembly of PANI@CNs nanohybrids onto NR latex microspheres. During cocoagulation process, PANI@CNs nanohybrids selectively located in the interstitial space between NR microspheres and organized into a 3D hierarchical multiscale conductive network structure in NR matrix. The combination of the biotemplate synthesis of PANI and latex cocoagulation method significantly enhanced the electrical conductivity and mechanical properties of the NR-based nanocomposites simultaneously. The electrical conductivity of PANI@CNs/NR nanocomposites containing 5 phr PANI showed 11 orders of magnitude higher than that of the PANI/NR composites at the same loading fraction,; meanwhile, the percolation threshold was drastically decreased from 8.0 to 3.6 vol %.

  20. Study of chaos based on a hierarchical model

    Energy Technology Data Exchange (ETDEWEB)

    Yagi, Masatoshi; Itoh, Sanae-I. [Kyushu Univ., Fukuoka (Japan). Research Inst. for Applied Mechanics

    2001-12-01

    Study of chaos based on a hierarchical model is briefly reviewed. Here we categorize hierarchical model equations, i.e., (1) a model with a few degrees of freedom, e.g., the Lorenz model, (2) a model with intermediate degrees of freedom like a shell model, and (3) a model with many degrees of freedom such as a Navier-Stokes equation. We discuss the nature of chaos and turbulence described by these models via Lyapunov exponents. The interpretation of results observed in fundamental plasma experiments is also shown based on a shell model. (author)

  1. An Unsupervised Model for Exploring Hierarchical Semantics from Social Annotations

    Science.gov (United States)

    Zhou, Mianwei; Bao, Shenghua; Wu, Xian; Yu, Yong

    This paper deals with the problem of exploring hierarchical semantics from social annotations. Recently, social annotation services have become more and more popular in Semantic Web. It allows users to arbitrarily annotate web resources, thus, largely lowers the barrier to cooperation. Furthermore, through providing abundant meta-data resources, social annotation might become a key to the development of Semantic Web. However, on the other hand, social annotation has its own apparent limitations, for instance, 1) ambiguity and synonym phenomena and 2) lack of hierarchical information. In this paper, we propose an unsupervised model to automatically derive hierarchical semantics from social annotations. Using a social bookmark service Del.icio.us as example, we demonstrate that the derived hierarchical semantics has the ability to compensate those shortcomings. We further apply our model on another data set from Flickr to testify our model's applicability on different environments. The experimental results demonstrate our model's efficiency.

  2. Multiscale models and approximation algorithms for protein electrostatics

    CERN Document Server

    Bardhan, Jaydeep P

    2015-01-01

    Electrostatic forces play many important roles in molecular biology, but are hard to model due to the complicated interactions between biomolecules and the surrounding solvent, a fluid composed of water and dissolved ions. Continuum model have been surprisingly successful for simple biological questions, but fail for important problems such as understanding the effects of protein mutations. In this paper we highlight the advantages of boundary-integral methods for these problems, and our use of boundary integrals to design and test more accurate theories. Examples include a multiscale model based on nonlocal continuum theory, and a nonlinear boundary condition that captures atomic-scale effects at biomolecular surfaces.

  3. Multiscale hierarchical assembly strategy and mechanical prowess in conch shells (Busycon carica).

    Science.gov (United States)

    Li, Haoze; Xu, Zhi-Hui; Li, Xiaodong

    2013-12-01

    Seashells are natural body armors with superior mechanical strength and ultra-high toughness compared with their major constituent counterparts. What building blocks and architecture render seashells such mechanical prowess? In this study, micro/nanoscale structural and mechanical characterization of conch shells (Busycon carica) has been carried out. Here we show direct evidence that the previously claimed single-crystal third-order lamellae--the basic building blocks in conch shells are essentially assembled with aragonite nanoparticles of the size ranging from 20 to 45 nm. The nanoparticle-constructed third-order lamellae are not brittle, but ductile. The three-order crossed-lamellar architecture interlocks cracks via crack deflection along the interfaces in a three-dimensional manner, thus confining the damage in a small region. The findings advance the understanding of the mystery of conch shell's mechanical robustness, provide additional design guidelines for developing bioinspired nanomaterials, and lay a constitutive foundation for modeling the deformation behavior of seashells.

  4. Application of computer-aided multi-scale modelling framework - Aerosol case study

    DEFF Research Database (Denmark)

    Heitzig, Martina; Gregson, Christopher; Sin, Gürkan;

    2011-01-01

    A computer-aided modelling tool for efficient multi-scale modelling has been developed and is applied to solve a multi-scale modelling problem related to design and evaluation of fragrance aerosol products. The developed modelling scenario spans three length scales and describes how droplets...

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

    Directory of Open Access Journals (Sweden)

    Lucas eBrely

    2015-07-01

    Full Text Available 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.

  6. Modeling the deformation behavior of nanocrystalline alloy with hierarchical microstructures

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Hongxi; Zhou, Jianqiu, E-mail: zhouj@njtech.edu.cn [Nanjing Tech University, Department of Mechanical Engineering (China); Zhao, Yonghao, E-mail: yhzhao@njust.edu.cn [Nanjing University of Science and Technology, Nanostructural Materials Research Center, School of Materials Science and Engineering (China)

    2016-02-15

    A mechanism-based plasticity model based on dislocation theory is developed to describe the mechanical behavior of the hierarchical nanocrystalline alloys. The stress–strain relationship is derived by invoking the impeding effect of the intra-granular solute clusters and the inter-granular nanostructures on the dislocation movements along the sliding path. We found that the interaction between dislocations and the hierarchical microstructures contributes to the strain hardening property and greatly influence the ductility of nanocrystalline metals. The analysis indicates that the proposed model can successfully describe the enhanced strength of the nanocrystalline hierarchical alloy. Moreover, the strain hardening rate is sensitive to the volume fraction of the hierarchical microstructures. The present model provides a new perspective to design the microstructures for optimizing the mechanical properties in nanostructural metals.

  7. Road network safety evaluation using Bayesian hierarchical joint model.

    Science.gov (United States)

    Wang, Jie; Huang, Helai

    2016-05-01

    Safety and efficiency are commonly regarded as two significant performance indicators of transportation systems. In practice, road network planning has focused on road capacity and transport efficiency whereas the safety level of a road network has received little attention in the planning stage. This study develops a Bayesian hierarchical joint model for road network safety evaluation to help planners take traffic safety into account when planning a road network. The proposed model establishes relationships between road network risk and micro-level variables related to road entities and traffic volume, as well as socioeconomic, trip generation and network density variables at macro level which are generally used for long term transportation plans. In addition, network spatial correlation between intersections and their connected road segments is also considered in the model. A road network is elaborately selected in order to compare the proposed hierarchical joint model with a previous joint model and a negative binomial model. According to the results of the model comparison, the hierarchical joint model outperforms the joint model and negative binomial model in terms of the goodness-of-fit and predictive performance, which indicates the reasonableness of considering the hierarchical data structure in crash prediction and analysis. Moreover, both random effects at the TAZ level and the spatial correlation between intersections and their adjacent segments are found to be significant, supporting the employment of the hierarchical joint model as an alternative in road-network-level safety modeling as well.

  8. 3D Multiscale Modelling of Angiogenesis and Vascular Tumour Growth

    KAUST Repository

    Perfahl, H.

    2012-11-01

    We present a three-dimensional, multiscale model of vascular tumour growth, which couples nutrient/growth factor transport, blood flow, angiogenesis, vascular remodelling, movement of and interactions between normal and tumour cells, and nutrient-dependent cell cycle dynamics within each cell. We present computational simulations which show how a vascular network may evolve and interact with tumour and healthy cells. We also demonstrate how our model may be combined with experimental data, to predict the spatio-temporal evolution of a vascular tumour.

  9. Multi-scale modeling for sustainable chemical production

    DEFF Research Database (Denmark)

    Zhuang, Kai; Bakshi, Bhavik R.; Herrgard, Markus

    2013-01-01

    With recent advances in metabolic engineering, it is now technically possible to produce a wide portfolio of existing petrochemical products from biomass feedstock. In recent years, a number of modeling approaches have been developed to support the engineering and decision-making processes......, chemical industry, economy, and ecosystem. In addition, we propose a multi-scale approach for integrating the existing models into a cohesive framework. The major benefit of this proposed framework is that the design and decision-making at each scale can be informed, guided, and constrained by simulations...

  10. Multiscale Modeling of Red Blood Cells Squeezing through Submicron Slits

    Science.gov (United States)

    Peng, Zhangli; Lu, Huijie

    2016-11-01

    A multiscale model is applied to study the dynamics of healthy red blood cells (RBCs), RBCs in hereditary spherocytosis, and sickle cell disease squeezing through submicron slits. This study is motivated by the mechanical filtration of RBCs by inter-endothelial slits in the spleen. First, the model is validated by comparing the simulation results with experiments. Secondly, the deformation of the cytoskeleton in healthy RBCs is investigated. Thirdly, the mechanisms of damage in hereditary spherocytosis are investigated. Finally, the effects of cytoplasm and membrane viscosities, especially in sickle cell disease, are examined. The simulations results provided guidance for future experiments to explore the dynamics of RBCs under extreme deformation.

  11. Multiscale modeling of metabolism and macromolecular synthesis in E. coli and its application to the evolution of codon usage.

    Science.gov (United States)

    Thiele, Ines; Fleming, Ronan M T; Que, Richard; Bordbar, Aarash; Diep, Dinh; Palsson, Bernhard O

    2012-01-01

    Biological systems are inherently hierarchal and multiscale in time and space. A major challenge of systems biology is to describe biological systems as a computational model, which can be used to derive novel hypothesis and drive experiments leading to new knowledge. The constraint-based reconstruction and analysis approach has been successfully applied to metabolism and to the macromolecular synthesis machinery assembly. Here, we present the first integrated stoichiometric multiscale model of metabolism and macromolecular synthesis for Escherichia coli K12 MG1655, which describes the sequence-specific synthesis and function of almost 2000 gene products at molecular detail. We added linear constraints, which couple enzyme synthesis and catalysis reactions. Comparison with experimental data showed improvement of growth phenotype prediction with the multiscale model over E. coli's metabolic model alone. Many of the genes covered by this integrated model are well conserved across enterobacters and other, less related bacteria. We addressed the question of whether the bias in synonymous codon usage could affect the growth phenotype and environmental niches that an organism can occupy. We created two classes of in silico strains, one with more biased codon usage and one with more equilibrated codon usage than the wildtype. The reduced growth phenotype in biased strains was caused by tRNA supply shortage, indicating that expansion of tRNA gene content or tRNA codon recognition allow E. coli to respond to changes in codon usage bias. Our analysis suggests that in order to maximize growth and to adapt to new environmental niches, codon usage and tRNA content must co-evolve. These results provide further evidence for the mutation-selection-drift balance theory of codon usage bias. This integrated multiscale reconstruction successfully demonstrates that the constraint-based modeling approach is well suited to whole-cell modeling endeavors.

  12. Multiscale modeling of metabolism and macromolecular synthesis in E. coli and its application to the evolution of codon usage.

    Directory of Open Access Journals (Sweden)

    Ines Thiele

    Full Text Available Biological systems are inherently hierarchal and multiscale in time and space. A major challenge of systems biology is to describe biological systems as a computational model, which can be used to derive novel hypothesis and drive experiments leading to new knowledge. The constraint-based reconstruction and analysis approach has been successfully applied to metabolism and to the macromolecular synthesis machinery assembly. Here, we present the first integrated stoichiometric multiscale model of metabolism and macromolecular synthesis for Escherichia coli K12 MG1655, which describes the sequence-specific synthesis and function of almost 2000 gene products at molecular detail. We added linear constraints, which couple enzyme synthesis and catalysis reactions. Comparison with experimental data showed improvement of growth phenotype prediction with the multiscale model over E. coli's metabolic model alone. Many of the genes covered by this integrated model are well conserved across enterobacters and other, less related bacteria. We addressed the question of whether the bias in synonymous codon usage could affect the growth phenotype and environmental niches that an organism can occupy. We created two classes of in silico strains, one with more biased codon usage and one with more equilibrated codon usage than the wildtype. The reduced growth phenotype in biased strains was caused by tRNA supply shortage, indicating that expansion of tRNA gene content or tRNA codon recognition allow E. coli to respond to changes in codon usage bias. Our analysis suggests that in order to maximize growth and to adapt to new environmental niches, codon usage and tRNA content must co-evolve. These results provide further evidence for the mutation-selection-drift balance theory of codon usage bias. This integrated multiscale reconstruction successfully demonstrates that the constraint-based modeling approach is well suited to whole-cell modeling endeavors.

  13. Multiscale friction modeling for sheet metal forming

    NARCIS (Netherlands)

    Hol, J.; Cid Alfaro, M.V.; de Rooij, Matthias B.; Meinders, Vincent T.; Felder, Eric; Montmitonnet, Pierre

    2010-01-01

    The most often used friction model for sheet metal forming simulations is the relative simple Coulomb friction model. This paper presents a more advanced friction model for large scale forming simulations based on the surface change on the micro-scale. The surface texture of a material changes when

  14. Multiscale modeling of soft matter: scaling of dynamics.

    Science.gov (United States)

    Fritz, Dominik; Koschke, Konstantin; Harmandaris, Vagelis A; van der Vegt, Nico F A; Kremer, Kurt

    2011-06-14

    Many physical phenomena and properties of soft matter systems are characterized by an interplay of interactions and processes that span a wide range of length- and time scales. Computer simulation approaches require models, which cover these scales. These are typically multiscale models that combine and link different levels of resolution. In order to reach mesoscopic time- and length scales, necessary to access material properties, coarse-grained models are developed. They are based on microscopic, atomistic descriptions of systems and represent these systems on a coarser, mesoscopic level. While the connection between length scales can be established immediately, the link between the different time scales that takes into account the faster dynamics of the coarser system cannot be obtained directly. In this perspective paper we discuss methods that link the time scales in structure based multiscale models. Concepts which try to rigorously map dynamics of related models are limited to simple model systems, while the challenge in soft matter systems is the multitude of fluctuating energy barriers of comparable height. More pragmatic methods to match time scales are applied successfully to quantitatively understand and predict dynamics of one-component soft matter systems. However, there are still open questions. We point out that the link between the dynamics on different resolution levels can be affected by slight changes of the system, as for different tacticities. Furthermore, in two-component systems the dynamics of the host polymer and of additives are accelerated very differently.

  15. A multiscale model for bioimpedance dispersion of liver tissue.

    Science.gov (United States)

    Huang, W H; Chui, C K; Teoh, S H; Chang, S K Y

    2012-06-01

    Radio-frequency ablation (RFA) has been used in liver surgery to minimize blood loss during tissue division. However, the current RFA tissue division method lacks an effective way of determining the stoppage of blood flow. There is limitation on the current state-of-the-art laser Doppler flow sensor due to its small sensing area. A new technique was proposed to use bioimpedance for blood flow sensing. This paper discusses a new geometrical multiscale model of the liver bioimpedance incorporating blood flow impedance. This model establishes correlation between the physical tissue structure and bioimpedance measurement. The basic Debye structure within a multilevel framework is used in the model to account for bioimpedance dispersion. This dispersion is often explained by the Cole-Cole model that includes a constant phase element without physical explanation. Our model is able to account for reduced blood flow in its output with changes in permittivity in gamma dispersion that is mainly due to the polarization of water molecules. This study demonstrates the potential of a multiscale model in determining the stoppage of blood flow during surgery.

  16. Computer-Aided Multiscale Modelling for Chemical Process Engineering

    DEFF Research Database (Denmark)

    Morales Rodriguez, Ricardo; Gani, Rafiqul

    2007-01-01

    T) for model translation, analysis and solution. The integration of ModDev, MoT and ICAS or any other external software or process simulator (using COM-Objects) permits the generation of different models and/or process configurations for purposes of simulation, design and analysis. Consequently, it is possible......Chemical processes are generally modeled through monoscale approaches, which, while not adequate, satisfy a useful role in product-process design. In this case, use of a multi-dimensional and multi-scale model-based approach has importance in product-process development. A computer-aided framework...... for model generation, analysis, solution and implementation is necessary for the development and application of the desired model-based approach for product-centric process design/analysis. This goal is achieved through the combination of a system for model development (ModDev), and a modelling tool (Mo...

  17. Multiscale modeling of dorsoventral patterning in Drosophila.

    Science.gov (United States)

    MacNamara, Shev

    2014-11-01

    The role of mathematical models of signaling networks is showcased by examples from Drosophila development. Three models of consecutive stages in dorsoventral patterning are presented. We begin with a compartmental model of intracellular reactions that generates a gradient of nuclear-localized Dorsal, exhibiting constant shape and dynamic amplitude. A simple thermodynamic model of equilibrium binding explains how a spatially uniform transcription factor, Zelda, can act in combination with a graded factor, Dorsal, to cooperatively regulate gene expression borders. Finally, we formulate a dynamic and stochastic model that predicts spatiotemporal patterns of Sog expression based on known patterns of its transcription factor, Dorsal. The future of coupling multifarious models across multiple temporal and spatial scales is discussed.

  18. Modeling Bivariate Longitudinal Hormone Profiles by Hierarchical State Space Models.

    Science.gov (United States)

    Liu, Ziyue; Cappola, Anne R; Crofford, Leslie J; Guo, Wensheng

    2014-01-01

    The hypothalamic-pituitary-adrenal (HPA) axis is crucial in coping with stress and maintaining homeostasis. Hormones produced by the HPA axis exhibit both complex univariate longitudinal profiles and complex relationships among different hormones. Consequently, modeling these multivariate longitudinal hormone profiles is a challenging task. In this paper, we propose a bivariate hierarchical state space model, in which each hormone profile is modeled by a hierarchical state space model, with both population-average and subject-specific components. The bivariate model is constructed by concatenating the univariate models based on the hypothesized relationship. Because of the flexible framework of state space form, the resultant models not only can handle complex individual profiles, but also can incorporate complex relationships between two hormones, including both concurrent and feedback relationship. Estimation and inference are based on marginal likelihood and posterior means and variances. Computationally efficient Kalman filtering and smoothing algorithms are used for implementation. Application of the proposed method to a study of chronic fatigue syndrome and fibromyalgia reveals that the relationships between adrenocorticotropic hormone and cortisol in the patient group are weaker than in healthy controls.

  19. A hierarchical model for cross-scale simulation of granular media

    Science.gov (United States)

    Guo, Ning; Zhao, Jidong

    2013-06-01

    This paper presents a multiscale modeling framework for granular media based on a hierarchical cross-scale approach. The overall material is treated as a continuum on the macroscale and the corresponding boundary value problem is solved by finite element method (FEM). At each Gauss point of the FEMmesh, a discrete element assembly is embedded from which the material behavior is obtained for the global FEM computation. It is demonstrated that this technique may capture the salient macroscopic behavior of granular media in a natural manner, and meanwhile helps to bypass the conventional phenomenological nature of continuum modeling approaches. Moreover, the framework provides us with rich information on the particle level which can be closely correlated to the macroscopic material response and hence helps to shed lights on the cross-scaling understanding of granular media. Specific linkages between the microscopic origins and mechanisms and the macroscopic responses can be conveniently developed. As a demonstrative example, the strain localization of granular sand in biaxial compression test is investigated by the multiscale approach to showcase the above features.

  20. A multiscale model for thin film AMR sensors

    Energy Technology Data Exchange (ETDEWEB)

    Bartok, Andras [Laboratoire de Genie Electrique de Paris, CNRS (UMR 8507)/SUPELEC/UPMC/Univ Paris-Sud, 11 rue Joliot Curie, 91192 Gif sur Yvette (France); Daniel, Laurent, E-mail: laurent.daniel@lgep.supelec.fr [Laboratoire de Genie Electrique de Paris, CNRS (UMR 8507)/SUPELEC/UPMC/Univ Paris-Sud, 11 rue Joliot Curie, 91192 Gif sur Yvette (France); Materials Science Centre, University of Manchester, M1 7HS Manchester (United Kingdom); Razek, Adel [Laboratoire de Genie Electrique de Paris, CNRS (UMR 8507)/SUPELEC/UPMC/Univ Paris-Sud, 11 rue Joliot Curie, 91192 Gif sur Yvette (France)

    2013-01-15

    AMR sensors are among the most widely deployed magnetic field sensors. In contrast to other technologies it has a simple structure and a low production cost. In this paper a multiscale modeling strategy is proposed to describe the performance of these sensors taking their specific features into account. The prediction of the behavior of a typical AMR thin film sensor has been studied and the results are compared to experimental measurements from the literature. The proposed micro-macro model offers an opportunity to investigate optimal material composition, crystallographic texture, film thickness or bias field level for specific applications. - Highlights: Black-Right-Pointing-Pointer A multiscale strategy for the modeling of thin film AMR sensors is proposed. Black-Right-Pointing-Pointer The approach is based on the changes under external loading of the free energy at the magnetic domains scale. Black-Right-Pointing-Pointer Small thickness and crystallographic texture effects are introduced in the modeling. Black-Right-Pointing-Pointer The behavior of commercial AMR sensors is satisfactorily modeled. Black-Right-Pointing-Pointer The role of the bias field and of the film thickness is discussed.

  1. Multiscale modeling of gas-fluidized beds

    NARCIS (Netherlands)

    van der Hoef, Martin Anton; van Sint Annaland, M.; Ye, M.; Andrews, A.T.; Sundaresan, S.; Kuipers, J.A.M.

    2006-01-01

    Numerical models of gas-fluidized beds have become an important tool in the design and scale up of gas-solid chemical reactors. However, a single numerical model which includes the solid-solid and solid-fluid interaction in full detail is not feasible for industrial-scale equipment, and for this

  2. Multiscale modeling of gas-fluidized beds

    NARCIS (Netherlands)

    Hoef, van der M.A.; Sint Annaland, van M.; Andrews, A.T.; Sundaresan, S.; Kuipers, J.A.M.

    2006-01-01

    Numerical models of gas-fluidized beds have become an important tool in the design and scale up of gas-solid chemical reactors. However, a single numerical model which includes the solid-solid and solid-fluid interaction in full detail is not feasible for industrial-scale equipment, and for this rea

  3. Multiscale geometric modeling of macromolecules I: Cartesian representation.

    Science.gov (United States)

    Xia, Kelin; Feng, Xin; Chen, Zhan; Tong, Yiying; Wei, Guo Wei

    2014-01-01

    This paper focuses on the geometric modeling and computational algorithm development of biomolecular structures from two data sources: Protein Data Bank (PDB) and Electron Microscopy Data Bank (EMDB) in the Eulerian (or Cartesian) representation. Molecular surface (MS) contains non-smooth geometric singularities, such as cusps, tips and self-intersecting facets, which often lead to computational instabilities in molecular simulations, and violate the physical principle of surface free energy minimization. Variational multiscale surface definitions are proposed based on geometric flows and solvation analysis of biomolecular systems. Our approach leads to geometric and potential driven Laplace-Beltrami flows for biomolecular surface evolution and formation. The resulting surfaces are free of geometric singularities and minimize the total free energy of the biomolecular system. High order partial differential equation (PDE)-based nonlinear filters are employed for EMDB data processing. We show the efficacy of this approach in feature-preserving noise reduction. After the construction of protein multiresolution surfaces, we explore the analysis and characterization of surface morphology by using a variety of curvature definitions. Apart from the classical Gaussian curvature and mean curvature, maximum curvature, minimum curvature, shape index, and curvedness are also applied to macromolecular surface analysis for the first time. Our curvature analysis is uniquely coupled to the analysis of electrostatic surface potential, which is a by-product of our variational multiscale solvation models. As an expository investigation, we particularly emphasize the numerical algorithms and computational protocols for practical applications of the above multiscale geometric models. Such information may otherwise be scattered over the vast literature on this topic. Based on the curvature and electrostatic analysis from our multiresolution surfaces, we introduce a new concept, the

  4. The Role of Prototype Learning in Hierarchical Models of Vision

    Science.gov (United States)

    Thomure, Michael David

    2014-01-01

    I conduct a study of learning in HMAX-like models, which are hierarchical models of visual processing in biological vision systems. Such models compute a new representation for an image based on the similarity of image sub-parts to a number of specific patterns, called prototypes. Despite being a central piece of the overall model, the issue of…

  5. The Total Variation Regularized L1 Model for Multiscale Decomposition

    Science.gov (United States)

    2006-01-01

    N00014-03-1- 0514, and DOE Grant GE-FG01-92ER-25126. †Department of Industrial Engineering and Operations Research, Columbia University, New York, NY...5f. WORK UNIT NUMBER 7. PERFORMING ORGANIZATION NAME(S) AND ADDRESS(ES) Columbia University,Department of Industrial Engineering and Operations...2r . THE TV-L1 MODEL FOR MULTISCALE DECOMPOSITION 5 In general the minimizer of the TV-L1 is nonunique . In the above disk example, if λ = 2/r

  6. Multiscale Materials Modeling in an Industrial Environment.

    Science.gov (United States)

    Weiß, Horst; Deglmann, Peter; In 't Veld, Pieter J; Cetinkaya, Murat; Schreiner, Eduard

    2016-06-07

    In this review, we sketch the materials modeling process in industry. We show that predictive and fast modeling is a prerequisite for successful participation in research and development processes in the chemical industry. Stable and highly automated workflows suitable for handling complex systems are a must. In particular, we review approaches to build and parameterize soft matter systems. By satisfying these prerequisites, efficiency for the development of new materials can be significantly improved, as exemplified here for formulation polymer development. This is in fact in line with recent Materials Genome Initiative efforts sponsored by the US government. Valuable contributions to product development are possible today by combining existing modeling techniques in an intelligent fashion, provided modeling and experiment work hand in hand.

  7. A Predictive Model of Fragmentation using Adaptive Mesh Refinement and a Hierarchical Material Model

    Energy Technology Data Exchange (ETDEWEB)

    Koniges, A E; Masters, N D; Fisher, A C; Anderson, R W; Eder, D C; Benson, D; Kaiser, T B; Gunney, B T; Wang, P; Maddox, B R; Hansen, J F; Kalantar, D H; Dixit, P; Jarmakani, H; Meyers, M A

    2009-03-03

    Fragmentation is a fundamental material process that naturally spans spatial scales from microscopic to macroscopic. We developed a mathematical framework using an innovative combination of hierarchical material modeling (HMM) and adaptive mesh refinement (AMR) to connect the continuum to microstructural regimes. This framework has been implemented in a new multi-physics, multi-scale, 3D simulation code, NIF ALE-AMR. New multi-material volume fraction and interface reconstruction algorithms were developed for this new code, which is leading the world effort in hydrodynamic simulations that combine AMR with ALE (Arbitrary Lagrangian-Eulerian) techniques. The interface reconstruction algorithm is also used to produce fragments following material failure. In general, the material strength and failure models have history vector components that must be advected along with other properties of the mesh during remap stage of the ALE hydrodynamics. The fragmentation models are validated against an electromagnetically driven expanding ring experiment and dedicated laser-based fragmentation experiments conducted at the Jupiter Laser Facility. As part of the exit plan, the NIF ALE-AMR code was applied to a number of fragmentation problems of interest to the National Ignition Facility (NIF). One example shows the added benefit of multi-material ALE-AMR that relaxes the requirement that material boundaries must be along mesh boundaries.

  8. Free-Energy Bounds for Hierarchical Spin Models

    Science.gov (United States)

    Castellana, Michele; Barra, Adriano; Guerra, Francesco

    2014-04-01

    In this paper we study two non-mean-field (NMF) spin models built on a hierarchical lattice: the hierarchical Edward-Anderson model (HEA) of a spin glass, and Dyson's hierarchical model (DHM) of a ferromagnet. For the HEA, we prove the existence of the thermodynamic limit of the free energy and the replica-symmetry-breaking (RSB) free-energy bounds previously derived for the Sherrington-Kirkpatrick model of a spin glass. These RSB mean-field bounds are exact only if the order-parameter fluctuations (OPF) vanish: given that such fluctuations are not negligible in NMF models, we develop a novel strategy to tackle part of OPF in hierarchical models. The method is based on absorbing part of OPF of a block of spins into an effective Hamiltonian of the underlying spin blocks. We illustrate this method for DHM and show that, compared to the mean-field bound for the free energy, it provides a tighter NMF bound, with a critical temperature closer to the exact one. To extend this method to the HEA model, a suitable generalization of Griffith's correlation inequalities for Ising ferromagnets is needed: since correlation inequalities for spin glasses are still an open topic, we leave the extension of this method to hierarchical spin glasses as a future perspective.

  9. Filtering multiscale dynamical systems in the presence of model error

    CERN Document Server

    Harlim, John

    2013-01-01

    In this review article, we report two important competing data assimilation schemes that were developed in the past 20 years, discuss the current methods that are operationally used in weather forecasting applications, and point out one major challenge in data assimilation community: "utilize these existing schemes in the presence of model error". The aim of this paper is to provide theoretical guidelines to mitigate model error in practical applications of filtering multiscale dynamical systems with reduced models. This is a prototypical situation in many applications due to limited ability to resolve the smaller scale processes as well as the difficulty to model the interaction across scales. We present simple examples to point out the importance of accounting for model error when the separation of scales are not apparent. These examples also elucidate the necessity of treating model error as a stochastic process in a nontrivial fashion for optimal filtering, in the sense that the mean and covariance estima...

  10. Multi-scale modeling of composites

    DEFF Research Database (Denmark)

    Azizi, Reza

    A general method to obtain the homogenized response of metal-matrix composites is developed. It is assumed that the microscopic scale is sufficiently small compared to the macroscopic scale such that the macro response does not affect the micromechanical model. Therefore, the microscopic scale......-Mandel’s energy principle is used to find macroscopic operators based on micro-mechanical analyses using the finite element method under generalized plane strain condition. A phenomenologically macroscopic model for metal matrix composites is developed based on constitutive operators describing the elastic...... behavior and the trapped free energy in the material, in addition to the plastic behavior in terms of the anisotropic development of the yield surface. It is shown that a generalization of Hill’s anisotropic yield criterion can be used to model the Bauschinger effect, in addition to the pressure and size...

  11. Multiscale modeling of virus replication and spread.

    Science.gov (United States)

    Kumberger, Peter; Frey, Felix; Schwarz, Ulrich S; Graw, Frederik

    2016-07-01

    Replication and spread of human viruses is based on the simultaneous exploitation of many different host functions, bridging multiple scales in space and time. Mathematical modeling is essential to obtain a systems-level understanding of how human viruses manage to proceed through their life cycles. Here, we review corresponding advances for viral systems of large medical relevance, such as human immunodeficiency virus-1 (HIV-1) and hepatitis C virus (HCV). We will outline how the combination of mathematical models and experimental data has advanced our quantitative knowledge about various processes of these pathogens, and how novel quantitative approaches promise to fill remaining gaps.

  12. Petascale computation performance of lightweight multiscale cardiac models using hybrid programming models.

    Science.gov (United States)

    Pope, Bernard J; Fitch, Blake G; Pitman, Michael C; Rice, John J; Reumann, Matthias

    2011-01-01

    Future multiscale and multiphysics models must use the power of high performance computing (HPC) systems to enable research into human disease, translational medical science, and treatment. Previously we showed that computationally efficient multiscale models will require the use of sophisticated hybrid programming models, mixing distributed message passing processes (e.g. the message passing interface (MPI)) with multithreading (e.g. OpenMP, POSIX pthreads). The objective of this work is to compare the performance of such hybrid programming models when applied to the simulation of a lightweight multiscale cardiac model. Our results show that the hybrid models do not perform favourably when compared to an implementation using only MPI which is in contrast to our results using complex physiological models. Thus, with regards to lightweight multiscale cardiac models, the user may not need to increase programming complexity by using a hybrid programming approach. However, considering that model complexity will increase as well as the HPC system size in both node count and number of cores per node, it is still foreseeable that we will achieve faster than real time multiscale cardiac simulations on these systems using hybrid programming models.

  13. MODELS-3 COMMUNITY MULTISCALE AIR QUALITY (CMAQ) MODEL AEROSOL COMPONENT 1: MODEL DESCRIPTION

    Science.gov (United States)

    The aerosol component of the Community Multiscale Air Quality (CMAQ) model is designed to be an efficient and economical depiction of aerosol dynamics in the atmosphere. The approach taken represents the particle size distribution as the superposition of three lognormal subdis...

  14. Stochastic Multiscale Modeling of Polycrystalline Materials

    Science.gov (United States)

    2013-01-01

    Thrun, and K. Ober- mayer , editors, Advances in Neural Information Processing Systems 15, pages 705–712, Cambridge, MA, 2003. MIT Press. [19] E Van der...modeling of polycrystalline IN 100. International Journal of Plasticity, 24(10):1694–1730, 2008. Special Issue in Honor of Jean - Louis Chaboche. [111] V. B

  15. Computer aided polymer design using multi-scale modelling

    Directory of Open Access Journals (Sweden)

    K. C. Satyanarayana

    2010-09-01

    Full Text Available The ability to predict the key physical and chemical properties of polymeric materials from their repeat-unit structure and chain-length architecture prior to synthesis is of great value for the design of polymer-based chemical products, with new functionalities and improved performance. Computer aided molecular design (CAMD methods can expedite the design process by establishing input-output relations between the type and number of functional groups in a polymer repeat unit and the desired macroscopic properties. A multi-scale model-based approach that combines a CAMD technique based on group contribution plus models for predicting polymer repeat unit properties with atomistic simulations for providing first-principles arrangements of the repeat units and for predictions of physical properties of the chosen candidate polymer structures, has been developed and tested for design of polymers with desired properties. A case study is used to highlight the main features of this multi-scale model-based approach for the design of a polymer-based product.

  16. A Bidirectional Coupling Procedure Applied to Multiscale Respiratory Modeling.

    Science.gov (United States)

    Kuprat, A P; Kabilan, S; Carson, J P; Corley, R A; Einstein, D R

    2013-07-01

    In this study, we present a novel multiscale computational framework for efficiently linking multiple lower-dimensional models describing the distal lung mechanics to imaging-based 3D computational fluid dynamics (CFD) models of the upper pulmonary airways in order to incorporate physiologically appropriate outlet boundary conditions. The framework is an extension of the Modified Newton's Method with nonlinear Krylov accelerator developed by Carlson and Miller [1, 2, 3]. Our extensions include the retention of subspace information over multiple timesteps, and a special correction at the end of a timestep that allows for corrections to be accepted with verified low residual with as little as a single residual evaluation per timestep on average. In the case of a single residual evaluation per timestep, the method has zero additional computational cost compared to uncoupled or unidirectionally coupled simulations. We expect these enhancements to be generally applicable to other multiscale coupling applications where timestepping occurs. In addition we have developed a "pressure-drop" residual which allows for stable coupling of flows between a 3D incompressible CFD application and another (lower-dimensional) fluid system. We expect this residual to also be useful for coupling non-respiratory incompressible fluid applications, such as multiscale simulations involving blood flow. The lower-dimensional models that are considered in this study are sets of simple ordinary differential equations (ODEs) representing the compliant mechanics of symmetric human pulmonary airway trees. To validate the method, we compare the predictions of hybrid CFD-ODE models against an ODE-only model of pulmonary airflow in an idealized geometry. Subsequently, we couple multiple sets of ODEs describing the distal lung to an imaging-based human lung geometry. Boundary conditions in these models consist of atmospheric pressure at the mouth and intrapleural pressure applied to the multiple sets

  17. A bidirectional coupling procedure applied to multiscale respiratory modeling

    Science.gov (United States)

    Kuprat, A. P.; Kabilan, S.; Carson, J. P.; Corley, R. A.; Einstein, D. R.

    2013-07-01

    In this study, we present a novel multiscale computational framework for efficiently linking multiple lower-dimensional models describing the distal lung mechanics to imaging-based 3D computational fluid dynamics (CFDs) models of the upper pulmonary airways in order to incorporate physiologically appropriate outlet boundary conditions. The framework is an extension of the modified Newton's method with nonlinear Krylov accelerator developed by Carlson and Miller [1], Miller [2] and Scott and Fenves [3]. Our extensions include the retention of subspace information over multiple timesteps, and a special correction at the end of a timestep that allows for corrections to be accepted with verified low residual with as little as a single residual evaluation per timestep on average. In the case of a single residual evaluation per timestep, the method has zero additional computational cost compared to uncoupled or unidirectionally coupled simulations. We expect these enhancements to be generally applicable to other multiscale coupling applications where timestepping occurs. In addition we have developed a "pressure-drop" residual which allows for stable coupling of flows between a 3D incompressible CFD application and another (lower-dimensional) fluid system. We expect this residual to also be useful for coupling non-respiratory incompressible fluid applications, such as multiscale simulations involving blood flow. The lower-dimensional models that are considered in this study are sets of simple ordinary differential equations (ODEs) representing the compliant mechanics of symmetric human pulmonary airway trees. To validate the method, we compare the predictions of hybrid CFD-ODE models against an ODE-only model of pulmonary airflow in an idealized geometry. Subsequently, we couple multiple sets of ODEs describing the distal lung to an imaging-based human lung geometry. Boundary conditions in these models consist of atmospheric pressure at the mouth and intrapleural

  18. Multiscale Modeling of Solar Coronal Magnetic Reconnection

    Science.gov (United States)

    Antiochos, Spiro K.; Karpen, Judith T.; DeVore, C. Richard

    2010-01-01

    Magnetic reconnection is widely believed to be the primary process by which the magnetic field releases energy to plasma in the Sun's corona. For example, in the breakout model for the initiation of coronal mass ejections/eruptive flares, reconnection is responsible for the catastrophic destabilizing of magnetic force balance in the corona, leading to explosive energy release. A critical requirement for the reconnection is that it have a "switch-on' nature in that the reconnection stays off until a large store of magnetic free energy has built up, and then it turn on abruptly and stay on until most of this free energy has been released. We discuss the implications of this requirement for reconnection in the context of the breakout model for CMEs/flares. We argue that it imposes stringent constraints on the properties of the flux breaking mechanism, which is expected to operate in the corona on kinetic scales. We present numerical simulations demonstrating how the reconnection and the eruption depend on the effective resistivity, i.e., the effective Lundquist number, and propose a model for incorporating kinetic flux-breaking mechanisms into MHO calculation of CMEs/flares.

  19. A hierarchical linear model for tree height prediction.

    Science.gov (United States)

    Vicente J. Monleon

    2003-01-01

    Measuring tree height is a time-consuming process. Often, tree diameter is measured and height is estimated from a published regression model. Trees used to develop these models are clustered into stands, but this structure is ignored and independence is assumed. In this study, hierarchical linear models that account explicitly for the clustered structure of the data...

  20. Density functional theory and multiscale materials modeling

    Indian Academy of Sciences (India)

    Swapan K Ghosh

    2003-01-01

    One of the vital ingredients in the theoretical tools useful in materials modeling at all the length scales of interest is the concept of density. In the microscopic length scale, it is the electron density that has played a major role in providing a deeper understanding of chemical binding in atoms, molecules and solids. In the intermediate mesoscopic length scale, an appropriate picture of the equilibrium and dynamical processes has been obtained through the single particle number density of the constituent atoms or molecules. A wide class of problems involving nanomaterials, interfacial science and soft condensed matter has been addressed using the density based theoretical formalism as well as atomistic simulation in this regime. In the macroscopic length scale, however, matter is usually treated as a continuous medium and a description using local mass density, energy density and other related density functions has been found to be quite appropriate. A unique single unified theoretical framework that emerges through the density concept at these diverse length scales and is applicable to both quantum and classical systems is the so called density functional theory (DFT) which essentially provides a vehicle to project the many-particle picture to a single particle one. Thus, the central equation for quantum DFT is a one-particle Schrödinger-like Kohn–Sham equation, while the same for classical DFT consists of Boltzmann type distributions, both corresponding to a system of noninteracting particles in the field of a density-dependent effective potential. Selected illustrative applications of quantum DFT to microscopic modeling of intermolecular interaction and that of classical DFT to a mesoscopic modeling of soft condensed matter systems are presented.

  1. Adaptive Multiscale Modeling of Geochemical Impacts on Fracture Evolution

    Science.gov (United States)

    Molins, S.; Trebotich, D.; Steefel, C. I.; Deng, H.

    2016-12-01

    Understanding fracture evolution is essential for many subsurface energy applications, including subsurface storage, shale gas production, fracking, CO2 sequestration, and geothermal energy extraction. Geochemical processes in particular play a significant role in the evolution of fractures through dissolution-driven widening, fines migration, and/or fracture sealing due to precipitation. One obstacle to understanding and exploiting geochemical fracture evolution is that it is a multiscale process. However, current geochemical modeling of fractures cannot capture this multi-scale nature of geochemical and mechanical impacts on fracture evolution, and is limited to either a continuum or pore-scale representation. Conventional continuum-scale models treat fractures as preferential flow paths, with their permeability evolving as a function (often, a cubic law) of the fracture aperture. This approach has the limitation that it oversimplifies flow within the fracture in its omission of pore scale effects while also assuming well-mixed conditions. More recently, pore-scale models along with advanced characterization techniques have allowed for accurate simulations of flow and reactive transport within the pore space (Molins et al., 2014, 2015). However, these models, even with high performance computing, are currently limited in their ability to treat tractable domain sizes (Steefel et al., 2013). Thus, there is a critical need to develop an adaptive modeling capability that can account for separate properties and processes, emergent and otherwise, in the fracture and the rock matrix at different spatial scales. Here we present an adaptive modeling capability that treats geochemical impacts on fracture evolution within a single multiscale framework. Model development makes use of the high performance simulation capability, Chombo-Crunch, leveraged by high resolution characterization and experiments. The modeling framework is based on the adaptive capability in Chombo

  2. Towards a multiscale model of colorectal cancer

    Institute of Scientific and Technical Information of China (English)

    Ingeborg MM van Leeuwen; Carina M Edwards; Mohammad Ilyas; Helen M Byrne

    2007-01-01

    Colorectal cancer (CRC) is one of the best characterised cancers, with extensive data documenting the sequential gene mutations that underlie its development.Complementary datasets are also being generated describing changes in protein and RNA expression,tumour biology and clinical outcome. Both the quantity and the variety of information are inexorably increasing and there is now an accompanying need to integrate these highly disparate datasets. In this article we aim to explain why we believe that mathematical modelling represents a natural tool or language with which to integrate these data and, in so doing, to provide insight into CRC.

  3. Multiscale modeling for fluid transport in nanosystems.

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Jonathan W.; Jones, Reese E.; Mandadapu, Kranthi Kiran; Templeton, Jeremy Alan; Zimmerman, Jonathan A.

    2013-09-01

    Atomistic-scale behavior drives performance in many micro- and nano-fluidic systems, such as mircrofludic mixers and electrical energy storage devices. Bringing this information into the traditionally continuum models used for engineering analysis has proved challenging. This work describes one such approach to address this issue by developing atomistic-to-continuum multi scale and multi physics methods to enable molecular dynamics (MD) representations of atoms to incorporated into continuum simulations. Coupling is achieved by imposing constraints based on fluxes of conserved quantities between the two regions described by one of these models. The impact of electric fields and surface charges are also critical, hence, methodologies to extend finite-element (FE) MD electric field solvers have been derived to account for these effects. Finally, the continuum description can have inconsistencies with the coarse-grained MD dynamics, so FE equations based on MD statistics were derived to facilitate the multi scale coupling. Examples are shown relevant to nanofluidic systems, such as pore flow, Couette flow, and electric double layer.

  4. Modelling hierarchical and modular complex networks: division and independence

    Science.gov (United States)

    Kim, D.-H.; Rodgers, G. J.; Kahng, B.; Kim, D.

    2005-06-01

    We introduce a growing network model which generates both modular and hierarchical structure in a self-organized way. To this end, we modify the Barabási-Albert model into the one evolving under the principles of division and independence as well as growth and preferential attachment (PA). A newly added vertex chooses one of the modules composed of existing vertices, and attaches edges to vertices belonging to that module following the PA rule. When the module size reaches a proper size, the module is divided into two, and a new module is created. The karate club network studied by Zachary is a simple version of the current model. We find that the model can reproduce both modular and hierarchical properties, characterized by the hierarchical clustering function of a vertex with degree k, C(k), being in good agreement with empirical measurements for real-world networks.

  5. Multiscale modeling and computation of optically manipulated nano devices

    Science.gov (United States)

    Bao, Gang; Liu, Di; Luo, Songting

    2016-07-01

    We present a multiscale modeling and computational scheme for optical-mechanical responses of nanostructures. The multi-physical nature of the problem is a result of the interaction between the electromagnetic (EM) field, the molecular motion, and the electronic excitation. To balance accuracy and complexity, we adopt the semi-classical approach that the EM field is described classically by the Maxwell equations, and the charged particles follow the Schrödinger equations quantum mechanically. To overcome the numerical challenge of solving the high dimensional multi-component many-body Schrödinger equations, we further simplify the model with the Ehrenfest molecular dynamics to determine the motion of the nuclei, and use the Time-Dependent Current Density Functional Theory (TD-CDFT) to calculate the excitation of the electrons. This leads to a system of coupled equations that computes the electromagnetic field, the nuclear positions, and the electronic current and charge densities simultaneously. In the regime of linear responses, the resonant frequencies initiating the out-of-equilibrium optical-mechanical responses can be formulated as an eigenvalue problem. A self-consistent multiscale method is designed to deal with the well separated space scales. The isomerization of azobenzene is presented as a numerical example.

  6. How does the connectivity of open-framework conglomerates within multi-scale hierarchical fluvial architecture affect oil sweep efficiency in waterflooding?

    CERN Document Server

    Gershenzon, Naum I; Ritzi, Robert W; Dominic, David F; Keefer, Don; Shaffer, Eric; Storsved, Brynne

    2015-01-01

    We studied the effects on oil sweep efficiency of the proportion, hierarchical organization, and connectivity of high-permeability open-framework conglomerate (OFC) cross-sets within the multi-scale stratal architecture found in fluvial deposits. Utilizing numerical simulations and the RVA/Paraview open-source visualization package, we analyzed oil production rate, water breakthrough time, and spatial and temporal distribution of residual oil saturation. The effective permeability of the reservoir exhibits large-scale anisotropy created by the organization of OFC cross-sets within unit bars, and the organization of unit bars within compound bars. As a result oil sweep efficiency critically depends on the direction of the pressure gradient. When pressure gradient is oriented normal to paleoflow direction, the total oil production and the water breakthrough time are larger, and remaining oil saturation is smaller. This result is found regardless of the proportion or connectivity of the OFC cross-sets, within th...

  7. Multiple comparisons in genetic association studies: a hierarchical modeling approach.

    Science.gov (United States)

    Yi, Nengjun; Xu, Shizhong; Lou, Xiang-Yang; Mallick, Himel

    2014-02-01

    Multiple comparisons or multiple testing has been viewed as a thorny issue in genetic association studies aiming to detect disease-associated genetic variants from a large number of genotyped variants. We alleviate the problem of multiple comparisons by proposing a hierarchical modeling approach that is fundamentally different from the existing methods. The proposed hierarchical models simultaneously fit as many variables as possible and shrink unimportant effects towards zero. Thus, the hierarchical models yield more efficient estimates of parameters than the traditional methods that analyze genetic variants separately, and also coherently address the multiple comparisons problem due to largely reducing the effective number of genetic effects and the number of statistically "significant" effects. We develop a method for computing the effective number of genetic effects in hierarchical generalized linear models, and propose a new adjustment for multiple comparisons, the hierarchical Bonferroni correction, based on the effective number of genetic effects. Our approach not only increases the power to detect disease-associated variants but also controls the Type I error. We illustrate and evaluate our method with real and simulated data sets from genetic association studies. The method has been implemented in our freely available R package BhGLM (http://www.ssg.uab.edu/bhglm/).

  8. Multiscale Modeling of Supported Lipid Bilayers

    Science.gov (United States)

    Hoopes, Matthew I.; Xing, Chenyue; Faller, Roland

    Cell membranes consist of a multitude of lipid molecules that serve as a framework for the even greater variety of membrane associated proteins [1-4]. As this highly complex (nonequilibrium) system cannot easily be understood and studied in a controlled way, a wide variety of model systems have been devised to understand the dynamics, structure, and thermodynamics in biological membranes. One such model system is a supported lipid bilayer (SLB), a two-dimensional membrane suspended on a surface. SLBs have been realized to be manageable experimentally while reproducing many of the key features of real biological membranes [5,6]. One of the main advantages of supported bilayers is the physical stability due to the solid support that enables a wide range of surface characterization techniques not available to free or unsupported membranes. As SLBs maintain some of the crucial structural and dynamic properties of biological membranes, they provide an important bridge to natural systems. In order to mimic cell membranes reliably, certain structural and dynamic features have to be reliably reproduced in the artificially constructed lipid bilayers. SLBs should display lateral mobility as in living cells, because many membrane activities involve transport, recruitment, or assembly of specific components. It is also critical for membranes to exhibit the correct thermodynamic phase, namely, a fluid lipid bilayer, to respond to environmental stress such as temperature and pressure changes [7]. There are several ways to fabricate supported lipid bilayers (SLBs) on planar substrates. One can use vesicle fusion on solid substrates [5,8-10] as well as Langmuir-Blodgett deposition [11,12]. Proteoliposome adsorption and subsequent membrane formation on a mica surface was first demonstrated by Brian and McConnell [13]. Because of its simplicity and reproducibility, this is one of the most common approaches to prepare supported membranes. A diverse range of different solid substrates

  9. Multiscale modeling of nanofoams under irradiation

    Science.gov (United States)

    Bringa, E. M.; Rodriguez-Nieva, J.; Monk, J. D.; Caro, J. A.; Loeffler, M. J.; Cassidy, T. A.; Johnson, R. E.; Baragiola, R. A.; Farkas, D.

    2012-02-01

    Nanoscale porosity appears in solids under a number of conditions: radiation damage in nuclear reactors, initial stages of ductile failure, in astro-materials, etc. Using molecular dynamics (MD) simulations, we analyze the radiation damage and surface modification of materials with various nanoscale porosities, where experimental techniques can be difficult to use and interpret. We consider (a) irradiation with ions with energies in the range 1-25 keV, of interest for fusion and fission energy applications; (b) swift heavy ion irradiation, with energies up to few GeV, relevant for track formation and interstellar grain evolution. We find that irradiation effects have larger spatial extent than for full-density solids and include the production of point-defects and twins which change the mechanical properties of the samples. We use our MD results as input for a Monte Carlo (MC) code to calculate sputtering yields from nanofoams of different geometries under different irradiation conditions. We also use our MD results to build models which predict possible radiation endurance under intense irradiation.

  10. Multi-Scale Modeling of Plasma Thrusters

    Science.gov (United States)

    Batishchev, Oleg

    2004-11-01

    Plasma thrusters are characterized with multiple spatial and temporal scales, which are due to the intrinsic physical processes such as gas ionization, wall effects and plasma acceleration. Characteristic times for hot plasma and cold gas are differing by 6-7 orders of magnitude. The typical collisional mean-free-paths vary by 3-5 orders along the devices. These make questionable a true self-consistent modeling of the thrusters. The latter is vital to the understanding of complex physics, non-linear dynamics and optimization of the performance. To overcome this problem we propose the following approach. All processes are divided into two groups: fast and slow. The slow ones include gas evolution with known sources and ionization sink. The ionization rate, transport coefficients, energy sources are defined during "fast step". Both processes are linked through external iterations. Multiple spatial scales are handled using moving adaptive mesh. Development and application of this method to the VASIMR helicon plasma source and other thrusters will be discussed. Supported by NASA.

  11. Integrated Multiscale Modeling of Molecular Computing Devices

    Energy Technology Data Exchange (ETDEWEB)

    Weinan E

    2012-03-29

    The main bottleneck in modeling transport in molecular devices is to develop the correct formulation of the problem and efficient algorithms for analyzing the electronic structure and dynamics using, for example, the time-dependent density functional theory. We have divided this task into several steps. The first step is to developing the right mathematical formulation and numerical algorithms for analyzing the electronic structure using density functional theory. The second step is to study time-dependent density functional theory, particularly the far-field boundary conditions. The third step is to study electronic transport in molecular devices. We are now at the end of the first step. Under DOE support, we have made subtantial progress in developing linear scaling and sub-linear scaling algorithms for electronic structure analysis. Although there has been a huge amount of effort in the past on developing linear scaling algorithms, most of the algorithms developed suffer from the lack of robustness and controllable accuracy. We have made the following progress: (1) We have analyzed thoroughly the localization properties of the wave-functions. We have developed a clear understanding of the physical as well as mathematical origin of the decay properties. One important conclusion is that even for metals, one can choose wavefunctions that decay faster than any algebraic power. (2) We have developed algorithms that make use of these localization properties. Our algorithms are based on non-orthogonal formulations of the density functional theory. Our key contribution is to add a localization step into the algorithm. The addition of this localization step makes the algorithm quite robust and much more accurate. Moreover, we can control the accuracy of these algorithms by changing the numerical parameters. (3) We have considerably improved the Fermi operator expansion (FOE) approach. Through pole expansion, we have developed the optimal scaling FOE algorithm.

  12. Integrated Multiscale Modeling of Molecular Computing Devices

    Energy Technology Data Exchange (ETDEWEB)

    Weinan E

    2012-03-29

    The main bottleneck in modeling transport in molecular devices is to develop the correct formulation of the problem and efficient algorithms for analyzing the electronic structure and dynamics using, for example, the time-dependent density functional theory. We have divided this task into several steps. The first step is to developing the right mathematical formulation and numerical algorithms for analyzing the electronic structure using density functional theory. The second step is to study time-dependent density functional theory, particularly the far-field boundary conditions. The third step is to study electronic transport in molecular devices. We are now at the end of the first step. Under DOE support, we have made subtantial progress in developing linear scaling and sub-linear scaling algorithms for electronic structure analysis. Although there has been a huge amount of effort in the past on developing linear scaling algorithms, most of the algorithms developed suffer from the lack of robustness and controllable accuracy. We have made the following progress: (1) We have analyzed thoroughly the localization properties of the wave-functions. We have developed a clear understanding of the physical as well as mathematical origin of the decay properties. One important conclusion is that even for metals, one can choose wavefunctions that decay faster than any algebraic power. (2) We have developed algorithms that make use of these localization properties. Our algorithms are based on non-orthogonal formulations of the density functional theory. Our key contribution is to add a localization step into the algorithm. The addition of this localization step makes the algorithm quite robust and much more accurate. Moreover, we can control the accuracy of these algorithms by changing the numerical parameters. (3) We have considerably improved the Fermi operator expansion (FOE) approach. Through pole expansion, we have developed the optimal scaling FOE algorithm.

  13. Vehicle Detection Based on Visual Saliency and Deep Sparse Convolution Hierarchical Model

    Institute of Scientific and Technical Information of China (English)

    CAI Yingfeng; WANG Hai; CHEN Xiaobo; GAO Li; CHEN Long

    2016-01-01

    Traditional vehicle detection algorithms use traverse search based vehicle candidate generation and hand crafted based classifier training for vehicle candidate verification. These types of methods generally have high processing times and low vehicle detection performance. To address this issue, a visual saliency and deep sparse convolution hierarchical model based vehicle detection algorithm is proposed. A visual saliency calculation is firstly used to generate a small vehicle candidate area. The vehicle candidate sub images are then loaded into a sparse deep convolution hierarchical model with an SVM-based classifier to perform the final detection. The experimental results demonstrate that the proposed method is with 94.81% correct rate and 0.78% false detection rate on the existing datasets and the real road pictures captured by our group, which outperforms the existing state-of-the-art algorithms. More importantly, high discriminative multi-scale features are generated by deep sparse convolution network which has broad application prospects in target recognition in the field of intelligent vehicle.

  14. Vehicle detection based on visual saliency and deep sparse convolution hierarchical model

    Science.gov (United States)

    Cai, Yingfeng; Wang, Hai; Chen, Xiaobo; Gao, Li; Chen, Long

    2016-07-01

    Traditional vehicle detection algorithms use traverse search based vehicle candidate generation and hand crafted based classifier training for vehicle candidate verification. These types of methods generally have high processing times and low vehicle detection performance. To address this issue, a visual saliency and deep sparse convolution hierarchical model based vehicle detection algorithm is proposed. A visual saliency calculation is firstly used to generate a small vehicle candidate area. The vehicle candidate sub images are then loaded into a sparse deep convolution hierarchical model with an SVM-based classifier to perform the final detection. The experimental results demonstrate that the proposed method is with 94.81% correct rate and 0.78% false detection rate on the existing datasets and the real road pictures captured by our group, which outperforms the existing state-of-the-art algorithms. More importantly, high discriminative multi-scale features are generated by deep sparse convolution network which has broad application prospects in target recognition in the field of intelligent vehicle.

  15. Integrated Multiscale Modeling of Molecular Computing Devices

    Energy Technology Data Exchange (ETDEWEB)

    Jerzy Bernholc

    2011-02-03

    photolithography will some day reach a miniaturization limit, forcing designers of Si-based electronics to pursue increased performance by other means. Any other alternative approach would have the unenviable task of matching the ability of Si technology to pack more than a billion interconnected and addressable devices on a chip the size of a thumbnail. Nevertheless, the prospects of developing alternative approaches to fabricate electronic devices have spurred an ever-increasing pace of fundamental research. One of the promising possibilities is molecular electronics (ME), self-assembled molecular-based electronic systems composed of single-molecule devices in ultra dense, ultra fast molecular-sized components. This project focused on developing accurate, reliable theoretical modeling capabilities for describing molecular electronics devices. The participants in the project are given in Table 1. The primary outcomes of this fundamental computational science grant are publications in the open scientific literature. As listed below, 62 papers have been published from this project. In addition, the research has also been the subject of more than 100 invited talks at conferences, including several plenary or keynote lectures. Many of the goals of the original proposal were completed. Specifically, the multi-disciplinary group developed a unique set of capabilities and tools for investigating electron transport in fabricated and self-assembled nanostructures at multiple length and time scales.

  16. Parallelization of fine-scale computation in Agile Multiscale Modelling Methodology

    Science.gov (United States)

    Macioł, Piotr; Michalik, Kazimierz

    2016-10-01

    Nowadays, multiscale modelling of material behavior is an extensively developed area. An important obstacle against its wide application is high computational demands. Among others, the parallelization of multiscale computations is a promising solution. Heterogeneous multiscale models are good candidates for parallelization, since communication between sub-models is limited. In this paper, the possibility of parallelization of multiscale models based on Agile Multiscale Methodology framework is discussed. A sequential, FEM based macroscopic model has been combined with concurrently computed fine-scale models, employing a MatCalc thermodynamic simulator. The main issues, being investigated in this work are: (i) the speed-up of multiscale models with special focus on fine-scale computations and (ii) on decreasing the quality of computations enforced by parallel execution. Speed-up has been evaluated on the basis of Amdahl's law equations. The problem of `delay error', rising from the parallel execution of fine scale sub-models, controlled by the sequential macroscopic sub-model is discussed. Some technical aspects of combining third-party commercial modelling software with an in-house multiscale framework and a MPI library are also discussed.

  17. A High-Order Multiscale Global Atmospheric Model

    Science.gov (United States)

    Nair, Ram

    2016-04-01

    The High-Order Method Modeling Environment (HOMME), developed at NCAR, is a petascale hydrostatic framework, which employs the cubed-sphere grid system and high-order continuous or discontinuous Galerkin (DG) methods. Recently, the HOMME framework is being extended to a non-hydrostatic dynamical core, named as the "High-Order Multiscale Atmospheric Model (HOMAM)." The spatial discretization is based on DG or high-order finite-volume methods. Orography is handled by the terrain-following height-based coordinate system. To alleviate the stringent CFL stability requirement resulting from the vertical aspects of the dynamics, an operator-splitting time integration scheme based on the horizontally explicit and vertically implicit (HEVI) philosophy is adopted for HOMAM. Preliminary results with the benchmark test cases proposed in the Dynamical Core Model Intercomparison project (DCMIP) test-suite will be presented in the seminar.

  18. Modeling local item dependence with the hierarchical generalized linear model.

    Science.gov (United States)

    Jiao, Hong; Wang, Shudong; Kamata, Akihito

    2005-01-01

    Local item dependence (LID) can emerge when the test items are nested within common stimuli or item groups. This study proposes a three-level hierarchical generalized linear model (HGLM) to model LID when LID is due to such contextual effects. The proposed three-level HGLM was examined by analyzing simulated data sets and was compared with the Rasch-equivalent two-level HGLM that ignores such a nested structure of test items. The results demonstrated that the proposed model could capture LID and estimate its magnitude. Also, the two-level HGLM resulted in larger mean absolute differences between the true and the estimated item difficulties than those from the proposed three-level HGLM. Furthermore, it was demonstrated that the proposed three-level HGLM estimated the ability distribution variance unaffected by the LID magnitude, while the two-level HGLM with no LID consideration increasingly underestimated the ability variance as the LID magnitude increased.

  19. The Revised Hierarchical Model: A critical review and assessment

    NARCIS (Netherlands)

    Kroll, J.F.; Hell, J.G. van; Tokowicz, N.; Green, D.W.

    2010-01-01

    Brysbaert and Duyck (this issue) suggest that it is time to abandon the Revised Hierarchical Model (Kroll and Stewart, 1994) in favor of connectionist models such as BIA+ (Dijkstra and Van Heuven, 2002) that more accurately account for the recent evidence on non-selective access in bilingual word re

  20. Towards a Multiscale Model of Acute HIV Infection

    Directory of Open Access Journals (Sweden)

    Anass Bouchnita

    2017-01-01

    Full Text Available Human Immunodeficiency Virus (HIV infection of humans represents a complex biological system and a great challenge to public health. Novel approaches for the analysis and prediction of the infection dynamics based on a multi-scale integration of virus ontogeny and immune reactions are needed to deal with the systems’ complexity. The aim of our study is: (1 to formulate a multi-scale mathematical model of HIV infection; (2 to implement the model computationally following a hybrid approach; and (3 to calibrate the model by estimating the parameter values enabling one to reproduce the “standard” observed dynamics of HIV infection in blood during the acute phase of primary infection. The modeling approach integrates the processes of infection spread and immune responses in Lymph Nodes (LN to that observed in blood. The spatio-temporal population dynamics of T lymphocytes in LN in response to HIV infection is governed by equations linking an intracellular regulation of the lymphocyte fate by intercellular cytokine fields. We describe the balance of proliferation, differentiation and death at a single cell level as a consequence of gene activation via multiple signaling pathways activated by IL-2, IFNa and FasL. Distinct activation thresholds are used in the model to relate different modes of cellular responses to the hierarchy of the relative levels of the cytokines. We specify a reference set of model parameter values for the fundamental processes in lymph nodes that ensures a reasonable agreement with viral load and CD4+ T cell dynamics in blood.

  1. A Coupled Multiscale Model of Texture Evolution and Plastic Anisotropy

    Science.gov (United States)

    Gawad, J.; Van Bael, A.; Yerra, S. K.; Samaey, G.; Van Houtte, P.; Roose, D.

    2010-06-01

    In this paper we present a multiscale model of a plastic deformation process in which the anisotropy of plastic properties is related to the evolution of the crystallographic texture. The model spans several length scales from the macroscopic deformation of the workpiece to the microscale interactions between individual grains in a polycrystalline material. The macroscopic behaviour of the material is described by means of a Finite Element (FE) model. Plastic anisotropy is taken into account in a constitutive law, based on the concept of a plastic potential in strain rate space. The coefficients of a sixth-order Facet equation are determined using the Taylor theory, provided that the current crystallographic texture at a given FE integration point is known. Texture evolution in the FE integration points is predicted by an ALAMEL micromechanical model. Mutual interactions between coarse and fine scale are inherent in the physics of the deformation process. These dependencies are taken into account by full bidirectional coupling in the model. Therefore, the plastic deformation influences the crystallographic texture and the evolution of the texture induces anisotropy of the macroscopic deformation. The presented approach enables an adaptive texture and yield surface update scheme with respect to the local plastic deformation in the FE integration points. Additionally, the computational cost related to the updates of the constitutive law is reduced by application of parallel computing techniques. Suitability of on-demand computing for this computational problem is discussed. The parallelisation strategy addresses both distributed memory and shared memory architectures. The cup drawing process has been simulated using the multiscale model outlined above. The discussion of results includes the analysis of the planar anisotropy in the cup and the influence of complex deformation path on texture development. Evolution of texture at selected material points is assessed as

  2. Hierarchical Policy Model for Managing Heterogeneous Security Systems

    Science.gov (United States)

    Lee, Dong-Young; Kim, Minsoo

    2007-12-01

    The integrated security management becomes increasingly complex as security manager must take heterogeneous security systems, different networking technologies, and distributed applications into consideration. The task of managing these security systems and applications depends on various systems and vender specific issues. In this paper, we present a hierarchical policy model which are derived from the conceptual policy, and specify means to enforce this behavior. The hierarchical policy model consist of five levels which are conceptual policy level, goal-oriented policy level, target policy level, process policy level and low-level policy.

  3. Three-Dimensional Multiscale MHD Model of Cometary Plasma Environments

    Science.gov (United States)

    Gombosi, Tamas I.; DeZeeuw, Darren L.; Haberli, Roman M.; Powell, Kenneth G.

    1996-01-01

    First results of a three-dimensional multiscale MHD model of the interaction of an expanding cometary atmosphere with the magnetized solar wind are presented. The model starts with a supersonic and super-Alfvenic solar wind far upstream of the comet (25 Gm upstream of the nucleus) with arbitrary interplanetary magnetic field orientation. The solar wind is continuously mass loaded with cometary ions originating from a 10-km size nucleus. The effects of photoionization, electron impact ionization, recombination, and ion-neutral frictional drag are taken into account in the model. The governing equations are solved on an adaptively refined unstructured Cartesian grid using our new multiscale upwind scalar conservation laws-type numerical technique (MUSCL). We have named this the multiscale adaptive upwind scheme for MHD (MAUS-MHD). The combination of the adaptive refinement with the MUSCL-scheme allows the entire cometary atmosphere to be modeled, while still resolving both the shock and the diamagnetic cavity of the comet. The main findings are the following: (1) Mass loading decelerates the solar wind flow upstream of the weak cometary shock wave (M approximately equals 2, M(sub A) approximately equals 2), which forms at a subsolar standoff distance of about 0.35 Gm. (2) A cometary plasma cavity is formed at around 3 x 10(exp 3) km from the nucleus. Inside this cavity the plasma expands outward due to the frictional interaction between ions and neutrals. On the nightside this plasma cavity considerably narrows and a relatively fast and dense cometary plasma beam is ejected into the tail. (3) Inside the plasma cavity a teardrop-shaped inner shock is formed, which is terminated by a Mach disk on the nightside. Only the region inside the inner shock is the 'true' diamagnetic cavity. (4) The model predicts four distinct current systems in the inner coma: the density peak current, the cavity boundary current, the inner shock current, and finally the cross-tail current

  4. A Liver-Centric Multiscale Modeling Framework for Xenobiotics

    Science.gov (United States)

    Swat, Maciej; Cosmanescu, Alin; Clendenon, Sherry G.; Wambaugh, John F.; Glazier, James A.

    2016-01-01

    We describe a multi-scale, liver-centric in silico modeling framework for acetaminophen pharmacology and metabolism. We focus on a computational model to characterize whole body uptake and clearance, liver transport and phase I and phase II metabolism. We do this by incorporating sub-models that span three scales; Physiologically Based Pharmacokinetic (PBPK) modeling of acetaminophen uptake and distribution at the whole body level, cell and blood flow modeling at the tissue/organ level and metabolism at the sub-cellular level. We have used standard modeling modalities at each of the three scales. In particular, we have used the Systems Biology Markup Language (SBML) to create both the whole-body and sub-cellular scales. Our modeling approach allows us to run the individual sub-models separately and allows us to easily exchange models at a particular scale without the need to extensively rework the sub-models at other scales. In addition, the use of SBML greatly facilitates the inclusion of biological annotations directly in the model code. The model was calibrated using human in vivo data for acetaminophen and its sulfate and glucuronate metabolites. We then carried out extensive parameter sensitivity studies including the pairwise interaction of parameters. We also simulated population variation of exposure and sensitivity to acetaminophen. Our modeling framework can be extended to the prediction of liver toxicity following acetaminophen overdose, or used as a general purpose pharmacokinetic model for xenobiotics. PMID:27636091

  5. Quick Web Services Lookup Model Based on Hierarchical Registration

    Institute of Scientific and Technical Information of China (English)

    谢山; 朱国进; 陈家训

    2003-01-01

    Quick Web Services Lookup (Q-WSL) is a new model to registration and lookup of complex services in the Internet. The model is designed to quickly find complex Web services by using hierarchical registration method. The basic concepts of Web services system are introduced and presented, and then the method of hierarchical registration of services is described. In particular, service query document description and service lookup procedure are concentrated, and it addresses how to lookup these services which are registered in the Web services system. Furthermore, an example design and an evaluation of its performance are presented.Specifically, it shows that the using of attributionbased service query document design and contentbased hierarchical registration in Q-WSL allows service requesters to discover needed services more flexibly and rapidly. It is confirmed that Q-WSL is very suitable for Web services system.

  6. Multiscale modeling of PVDF matrix carbon fiber composites

    Science.gov (United States)

    Greminger, Michael; Haghiashtiani, Ghazaleh

    2017-06-01

    Self-sensing carbon fiber reinforced composites have the potential to enable structural health monitoring that is inherent to the composite material rather than requiring external or embedded sensors. It has been demonstrated that a self-sensing carbon fiber reinforced polymer composite can be created by using the piezoelectric polymer polyvinylidene difluoride (PVDF) as the matrix material and using a Kevlar layer to separate two carbon fiber layers. In this configuration, the electrically conductive carbon fiber layers act as electrodes and the Kevlar layer acts as a dielectric to prevent the electrical shorting of the carbon fiber layers. This composite material has been characterized experimentally for its effective d 33 and d 31 piezoelectric coefficients. However, for design purposes, it is desirable to obtain a predictive model of the effective piezoelectric coefficients for the final smart composite material. Also, the inverse problem can be solved to determine the degree of polarization obtained in the PVDF material during polarization by comparing the effective d 33 and d 31 values obtained in experiment to those predicted by the finite element model. In this study, a multiscale micromechanics and coupled piezoelectric-mechanical finite element modeling approach is introduced to predict the mechanical and piezoelectric performance of a plain weave carbon fiber reinforced PVDF composite. The modeling results show good agreement with the experimental results for the mechanical and electrical properties of the composite. In addition, the degree of polarization of the PVDF component of the composite is predicted using this multiscale modeling approach and shows that there is opportunity to drastically improve the smart composite’s performance by improving the polarization procedure.

  7. Spatial mixture multiscale modeling for aggregated health data.

    Science.gov (United States)

    Aregay, Mehreteab; Lawson, Andrew B; Faes, Christel; Kirby, Russell S; Carroll, Rachel; Watjou, Kevin

    2016-09-01

    One of the main goals in spatial epidemiology is to study the geographical pattern of disease risks. For such purpose, the convolution model composed of correlated and uncorrelated components is often used. However, one of the two components could be predominant in some regions. To investigate the predominance of the correlated or uncorrelated component for multiple scale data, we propose four different spatial mixture multiscale models by mixing spatially varying probability weights of correlated (CH) and uncorrelated heterogeneities (UH). The first model assumes that there is no linkage between the different scales and, hence, we consider independent mixture convolution models at each scale. The second model introduces linkage between finer and coarser scales via a shared uncorrelated component of the mixture convolution model. The third model is similar to the second model but the linkage between the scales is introduced through the correlated component. Finally, the fourth model accommodates for a scale effect by sharing both CH and UH simultaneously. We applied these models to real and simulated data, and found that the fourth model is the best model followed by the second model.

  8. Predictive Multiscale Modeling of Nanocellulose Based Materials and Systems

    Science.gov (United States)

    Kovalenko, Andriy

    2014-08-01

    Cellulose Nanocrysals (CNC) is a renewable biodegradable biopolymer with outstanding mechanical properties made from highly abundant natural source, and therefore is very attractive as reinforcing additive to replace petroleum-based plastics in biocomposite materials, foams, and gels. Large-scale applications of CNC are currently limited due to its low solubility in non-polar organic solvents used in existing polymerization technologies. The solvation properties of CNC can be improved by chemical modification of its surface. Development of effective surface modifications has been rather slow because extensive chemical modifications destabilize the hydrogen bonding network of cellulose and deteriorate the mechanical properties of CNC. We employ predictive multiscale theory, modeling, and simulation to gain a fundamental insight into the effect of CNC surface modifications on hydrogen bonding, CNC crystallinity, solvation thermodynamics, and CNC compatibilization with the existing polymerization technologies, so as to rationally design green nanomaterials with improved solubility in non-polar solvents, controlled liquid crystal ordering and optimized extrusion properties. An essential part of this multiscale modeling approach is the statistical- mechanical 3D-RISM-KH molecular theory of solvation, coupled with quantum mechanics, molecular mechanics, and multistep molecular dynamics simulation. The 3D-RISM-KH theory provides predictive modeling of both polar and non-polar solvents, solvent mixtures, and electrolyte solutions in a wide range of concentrations and thermodynamic states. It properly accounts for effective interactions in solution such as steric effects, hydrophobicity and hydrophilicity, hydrogen bonding, salt bridges, buffer, co-solvent, and successfully predicts solvation effects and processes in bulk liquids, solvation layers at solid surface, and in pockets and other inner spaces of macromolecules and supramolecular assemblies. This methodology

  9. Parallel multiscale modeling of biopolymer dynamics with hydrodynamic correlations

    CERN Document Server

    Fyta, Maria; Kaxiras, Efthimios; Melchionna, Simone; Bernaschi, Massimo; Succi, Sauro

    2007-01-01

    We employ a multiscale approach to model the translocation of biopolymers through nanometer size pores. Our computational scheme combines microscopic Molecular Dynamics (MD) with a mesoscopic Lattice Boltzmann (LB) method for the solvent dynamics, explicitly taking into account the interactions of the molecule with the surrounding fluid. We describe an efficient parallel implementation of the method which exhibits excellent scalability on the Blue Gene platform. We investigate both dynamical and statistical aspects of the translocation process by simulating polymers of various initial configurations and lengths. For a representative molecule size, we explore the effects of important parameters that enter in the simulation, paying particular attention to the strength of the molecule-solvent coupling and of the external electric field which drives the translocation process. Finally, we explore the connection between the generic polymers modeled in the simulation and DNA, for which interesting recent experimenta...

  10. Breakdown parameter for kinetic modeling of multiscale gas flows.

    Science.gov (United States)

    Meng, Jianping; Dongari, Nishanth; Reese, Jason M; Zhang, Yonghao

    2014-06-01

    Multiscale methods built purely on the kinetic theory of gases provide information about the molecular velocity distribution function. It is therefore both important and feasible to establish new breakdown parameters for assessing the appropriateness of a fluid description at the continuum level by utilizing kinetic information rather than macroscopic flow quantities alone. We propose a new kinetic criterion to indirectly assess the errors introduced by a continuum-level description of the gas flow. The analysis, which includes numerical demonstrations, focuses on the validity of the Navier-Stokes-Fourier equations and corresponding kinetic models and reveals that the new criterion can consistently indicate the validity of continuum-level modeling in both low-speed and high-speed flows at different Knudsen numbers.

  11. Multiscale modeling of biopolymer translocation through a nanopore

    CERN Document Server

    Fyta, M G; Kaxiras, E; Succi, S; Fyta, Maria; Melchionna, Simone; Kaxiras, Efthimios; Succi, Sauro

    2007-01-01

    We employ a multiscale approach to model the translocation of biopolymers through nanometer size pores. Our computational scheme combines microscopic Langevin molecular dynamics (MD) with a mesoscopic lattice Boltzmann (LB) method for the solvent dynamics, explicitly taking into account the interactions of the molecule with the surrounding fluid. Both dynamical and statistical aspects of the translocation process were investigated, by simulating polymers of various initial configurations and lengths. For a representative molecule size, we explore the effects of important parameters that enter in the simulation, paying particular attention to the strength of the molecule-solvent coupling and of the external electric field which drives the translocation process. Finally, we explore the connection between the generic polymers modeled in the simulation and DNA, for which interesting recent experimental results are available.

  12. Multiscale models for the growth of avascular tumors

    Science.gov (United States)

    Martins, M. L.; Ferreira, S. C.; Vilela, M. J.

    2007-06-01

    In the past 30 years we have witnessed an extraordinary progress on the research in the molecular biology of cancer, but its medical treatment, widely based on empirically established protocols, still has many limitations. One of the reasons for that is the limited quantitative understanding of the dynamics of tumor growth and drug response in the organism. In this review we shall discuss in general terms the use of mathematical modeling and computer simulations related to cancer growth and its applications to improve tumor therapy. Particular emphasis is devoted to multiscale models which permit integration of the rapidly expanding knowledge concerning the molecular basis of cancer and the complex, nonlinear interactions among tumor cells and their microenvironment that will determine the neoplastic growth at the tissue level.

  13. Multiscale adaptive basis function modeling of spatiotemporal vectorcardiogram signals.

    Science.gov (United States)

    Gang Liu; Hui Yang

    2013-03-01

    Mathematical modeling of cardiac electrical signals facilitates the simulation of realistic cardiac electrical behaviors, the evaluation of algorithms, and the characterization of underlying space-time patterns. However, there are practical issues pertinent to model efficacy, robustness, and generality. This paper presents a multiscale adaptive basis function modeling approach to characterize not only temporal but also spatial behaviors of vectorcardiogram (VCG) signals. Model parameters are adaptively estimated by the "best matching" projections of VCG characteristic waves onto a dictionary of nonlinear basis functions. The model performance is experimentally evaluated with respect to the number of basis functions, different types of basis function (i.e., Gaussian, Mexican hat, customized wavelet, and Hermitian wavelets), and various cardiac conditions, including 80 healthy controls and different myocardial infarctions (i.e., 89 inferior, 77 anterior-septal, 56 inferior-lateral, 47 anterior, and 43 anterior-lateral). Multiway analysis of variance shows that the basis function and the model complexity have significant effects on model performances while cardiac conditions are not significant. The customized wavelet is found to be an optimal basis function for the modeling of spacetime VCG signals. The comparison of QT intervals shows small relative errors (model representations and realworld VCG signals when the model complexity is greater than 10. The proposed model shows great potentials to model space-time cardiac pathological behaviors and can lead to potential benefits in feature extraction, data compression, algorithm evaluation, and disease prognostics.

  14. Bayesian structural equation modeling method for hierarchical model validation

    Energy Technology Data Exchange (ETDEWEB)

    Jiang Xiaomo [Department of Civil and Environmental Engineering, Vanderbilt University, Box 1831-B, Nashville, TN 37235 (United States)], E-mail: xiaomo.jiang@vanderbilt.edu; Mahadevan, Sankaran [Department of Civil and Environmental Engineering, Vanderbilt University, Box 1831-B, Nashville, TN 37235 (United States)], E-mail: sankaran.mahadevan@vanderbilt.edu

    2009-04-15

    A building block approach to model validation may proceed through various levels, such as material to component to subsystem to system, comparing model predictions with experimental observations at each level. Usually, experimental data becomes scarce as one proceeds from lower to higher levels. This paper presents a structural equation modeling approach to make use of the lower-level data for higher-level model validation under uncertainty, integrating several components: lower-level data, higher-level data, computational model, and latent variables. The method proposed in this paper uses latent variables to model two sets of relationships, namely, the computational model to system-level data, and lower-level data to system-level data. A Bayesian network with Markov chain Monte Carlo simulation is applied to represent the two relationships and to estimate the influencing factors between them. Bayesian hypothesis testing is employed to quantify the confidence in the predictive model at the system level, and the role of lower-level data in the model validation assessment at the system level. The proposed methodology is implemented for hierarchical assessment of three validation problems, using discrete observations and time-series data.

  15. MULTILEVEL RECURRENT MODEL FOR HIERARCHICAL CONTROL OF COMPLEX REGIONAL SECURITY

    Directory of Open Access Journals (Sweden)

    Andrey V. Masloboev

    2014-11-01

    Full Text Available Subject of research. The research goal and scope are development of methods and software for mathematical and computer modeling of the regional security information support systems as multilevel hierarchical systems. Such systems are characterized by loosely formalization, multiple-aspect of descendent system processes and their interconnectivity, high level dynamics and uncertainty. The research methodology is based on functional-target approach and principles of multilevel hierarchical system theory. The work considers analysis and structural-algorithmic synthesis problem-solving of the multilevel computer-aided systems intended for management and decision-making information support in the field of regional security. Main results. A hierarchical control multilevel model of regional socio-economic system complex security has been developed. The model is based on functional-target approach and provides both formal statement and solving, and practical implementation of the automated information system structure and control algorithms synthesis problems of regional security management optimal in terms of specified criteria. An approach for intralevel and interlevel coordination problem-solving in the multilevel hierarchical systems has been proposed on the basis of model application. The coordination is provided at the expense of interconnection requirements satisfaction between the functioning quality indexes (objective functions, which are optimized by the different elements of multilevel systems. That gives the possibility for sufficient coherence reaching of the local decisions, being made on the different control levels, under decentralized decision-making and external environment high dynamics. Recurrent model application provides security control mathematical models formation of regional socioeconomic systems, functioning under uncertainty. Practical relevance. The model implementation makes it possible to automate synthesis realization of

  16. Nonhydrostatic adaptive mesh dynamics for multiscale climate models (Invited)

    Science.gov (United States)

    Collins, W.; Johansen, H.; McCorquodale, P.; Colella, P.; Ullrich, P. A.

    2013-12-01

    Many of the atmospheric phenomena with the greatest potential impact in future warmer climates are inherently multiscale. Such meteorological systems include hurricanes and tropical cyclones, atmospheric rivers, and other types of hydrometeorological extremes. These phenomena are challenging to simulate in conventional climate models due to the relatively coarse uniform model resolutions relative to the native nonhydrostatic scales of the phenomonological dynamics. To enable studies of these systems with sufficient local resolution for the multiscale dynamics yet with sufficient speed for climate-change studies, we have adapted existing adaptive mesh dynamics for the DOE-NSF Community Atmosphere Model (CAM). In this talk, we present an adaptive, conservative finite volume approach for moist non-hydrostatic atmospheric dynamics. The approach is based on the compressible Euler equations on 3D thin spherical shells, where the radial direction is treated implicitly (using a fourth-order Runga-Kutta IMEX scheme) to eliminate time step constraints from vertical acoustic waves. Refinement is performed only in the horizontal directions. The spatial discretization is the equiangular cubed-sphere mapping, with a fourth-order accurate discretization to compute flux averages on faces. By using both space-and time-adaptive mesh refinement, the solver allocates computational effort only where greater accuracy is needed. The resulting method is demonstrated to be fourth-order accurate for model problems, and robust at solution discontinuities and stable for large aspect ratios. We present comparisons using a simplified physics package for dycore comparisons of moist physics. Hadley cell lifting an advected tracer into upper atmosphere, with horizontal adaptivity

  17. A Completely Discrete Heterogeneous Multiscale Finite Element Method for Multiscale Richards’ Equation of van Genuchten-Mualem Model

    Directory of Open Access Journals (Sweden)

    Haitao Cao

    2014-01-01

    Full Text Available We propose a fully discrete method for the multiscale Richards’ equation of van Genuchten-Mualem model which describes the flow transport in unsaturated heterogenous porous media. Under the framework of heterogeneous multiscale method (HMM, a fully discrete scheme combined with a regularized procedure is proposed. Including the numerical integration, the discretization is given by C0 piecewise finite element in space and an implicit scheme in time. Error estimates between the numerical solution and the solution of homogenized problem are derived under the assumption that the permeability is periodic. Numerical experiments with periodic and random permeability are carried out for the van Genuchten-Mualem model of Richards’ equation to show the efficiency and accuracy of the proposed method.

  18. Hierarchical Non-Emitting Markov Models

    CERN Document Server

    Ristad, E S; Ristad, Eric Sven; Thomas, Robert G.

    1998-01-01

    We describe a simple variant of the interpolated Markov model with non-emitting state transitions and prove that it is strictly more powerful than any Markov model. More importantly, the non-emitting model outperforms the classic interpolated model on the natural language texts under a wide range of experimental conditions, with only a modest increase in computational requirements. The non-emitting model is also much less prone to overfitting. Keywords: Markov model, interpolated Markov model, hidden Markov model, mixture modeling, non-emitting state transitions, state-conditional interpolation, statistical language model, discrete time series, Brown corpus, Wall Street Journal.

  19. Conceptual hierarchical modeling to describe wetland plant community organization

    Science.gov (United States)

    Little, A.M.; Guntenspergen, G.R.; Allen, T.F.H.

    2010-01-01

    Using multivariate analysis, we created a hierarchical modeling process that describes how differently-scaled environmental factors interact to affect wetland-scale plant community organization in a system of small, isolated wetlands on Mount Desert Island, Maine. We followed the procedure: 1) delineate wetland groups using cluster analysis, 2) identify differently scaled environmental gradients using non-metric multidimensional scaling, 3) order gradient hierarchical levels according to spatiotem-poral scale of fluctuation, and 4) assemble hierarchical model using group relationships with ordination axes and post-hoc tests of environmental differences. Using this process, we determined 1) large wetland size and poor surface water chemistry led to the development of shrub fen wetland vegetation, 2) Sphagnum and water chemistry differences affected fen vs. marsh / sedge meadows status within small wetlands, and 3) small-scale hydrologic differences explained transitions between forested vs. non-forested and marsh vs. sedge meadow vegetation. This hierarchical modeling process can help explain how upper level contextual processes constrain biotic community response to lower-level environmental changes. It creates models with more nuanced spatiotemporal complexity than classification and regression tree procedures. Using this process, wetland scientists will be able to generate more generalizable theories of plant community organization, and useful management models. ?? Society of Wetland Scientists 2009.

  20. Update Legal Documents Using Hierarchical Ranking Models and Word Clustering

    OpenAIRE

    Pham, Minh Quang Nhat; Nguyen, Minh Le; Shimazu, Akira

    2010-01-01

    Our research addresses the task of updating legal documents when newinformation emerges. In this paper, we employ a hierarchical ranking model tothe task of updating legal documents. Word clustering features are incorporatedto the ranking models to exploit semantic relations between words. Experimentalresults on legal data built from the United States Code show that the hierarchicalranking model with word clustering outperforms baseline methods using VectorSpace Model, and word cluster-based ...

  1. Multiscale modelling of the feto–placental vasculature

    Science.gov (United States)

    Clark, A. R.; Lin, M.; Tawhai, M.; Saghian, R.; James, J. L.

    2015-01-01

    The placenta provides all the nutrients required for the fetus through pregnancy. It develops dynamically, and, to avoid rejection of the fetus, there is no mixing of fetal and maternal blood; rather, the branched placental villi ‘bathe’ in blood supplied from the uterine arteries. Within the villi, the feto–placental vasculature also develops a complex branching structure in order to maximize exchange between the placental and maternal circulations. To understand the development of the placenta, we must translate functional information across spatial scales including the interaction between macro- and micro-scale haemodynamics and account for the effects of a dynamically and rapidly changing structure through the time course of pregnancy. Here, we present steps towards an anatomically based and multiscale approach to modelling the feto–placental circulation. We assess the effect of the location of cord insertion on feto–placental blood flow resistance and flow heterogeneity and show that, although cord insertion does not appear to directly influence feto–placental resistance, the heterogeneity of flow in the placenta is predicted to increase from a 19.4% coefficient of variation with central cord insertion to 23.3% when the cord is inserted 2 cm from the edge of the placenta. Model geometries with spheroidal and ellipsoidal shapes, but the same volume, showed no significant differences in flow resistance or heterogeneity, implying that normal asymmetry in shape does not affect placental efficiency. However, the size and number of small capillary vessels is predicted to have a large effect on feto–placental resistance and flow heterogeneity. Using this new model as an example, we highlight the importance of taking an integrated multi-disciplinary and multiscale approach to understand development of the placenta. PMID:25844150

  2. Multiscale modelling of the feto-placental vasculature.

    Science.gov (United States)

    Clark, A R; Lin, M; Tawhai, M; Saghian, R; James, J L

    2015-04-06

    The placenta provides all the nutrients required for the fetus through pregnancy. It develops dynamically, and, to avoid rejection of the fetus, there is no mixing of fetal and maternal blood; rather, the branched placental villi 'bathe' in blood supplied from the uterine arteries. Within the villi, the feto-placental vasculature also develops a complex branching structure in order to maximize exchange between the placental and maternal circulations. To understand the development of the placenta, we must translate functional information across spatial scales including the interaction between macro- and micro-scale haemodynamics and account for the effects of a dynamically and rapidly changing structure through the time course of pregnancy. Here, we present steps towards an anatomically based and multiscale approach to modelling the feto-placental circulation. We assess the effect of the location of cord insertion on feto-placental blood flow resistance and flow heterogeneity and show that, although cord insertion does not appear to directly influence feto-placental resistance, the heterogeneity of flow in the placenta is predicted to increase from a 19.4% coefficient of variation with central cord insertion to 23.3% when the cord is inserted 2 cm from the edge of the placenta. Model geometries with spheroidal and ellipsoidal shapes, but the same volume, showed no significant differences in flow resistance or heterogeneity, implying that normal asymmetry in shape does not affect placental efficiency. However, the size and number of small capillary vessels is predicted to have a large effect on feto-placental resistance and flow heterogeneity. Using this new model as an example, we highlight the importance of taking an integrated multi-disciplinary and multiscale approach to understand development of the placenta.

  3. Transferring Multi-Scale Approaches from 3d City Modeling to Ifc-Based Tunnel Modeling

    Science.gov (United States)

    Borrmann, A.; Kolbe, T. H.; Donaubauer, A.; Steuer, H.; Jubierre, J. R.

    2013-09-01

    A multi-scale representation of the built environment is required to provide information with the adequate level of detail (LoD) for different use cases and objectives. This applies not only to the visualization of city and building models, but in particular to their use in the context of planning and analysis tasks. While in the field of Geographic Information Systems, the handling of multi-scale representations is well established and understood, no formal approaches for incorporating multi-scale methods exist in the field of Building Information Modeling (BIM) so far. However, these concepts are much needed to better support highly dynamic planning processes that make use of very rough information about the facility under design in the early stages and provide increasingly detailed and fine-grained information in later stages. To meet these demands, this paper presents a comprehensive concept for incorporating multi-scale representations with infrastructural building information models, with a particular focus on the representation of shield tunnels. Based on a detailed analysis of the data modeling methods used in CityGML for capturing multiscale representations and the requirements present in the context of infrastructure planning projects, we discuss potential extensions to the BIM data model Industry Foundation Classes (IFC). Particular emphasis is put on providing means for preserving the consistency of the representation across the different Levels-of-Detail (LoD). To this end we make use of a procedural geometry description which makes it possible to define explicit dependencies between geometric entities on different LoDs. The modification of an object on a coarse level consequently results in an automated update of all dependent objects on the finer levels. Finally we discuss the transformation of the IFC-based multi-scale tunnel model into a CityGML compliant tunnel representation.

  4. Hierarchical modelling for the environmental sciences statistical methods and applications

    CERN Document Server

    Clark, James S

    2006-01-01

    New statistical tools are changing the way in which scientists analyze and interpret data and models. Hierarchical Bayes and Markov Chain Monte Carlo methods for analysis provide a consistent framework for inference and prediction where information is heterogeneous and uncertain, processes are complicated, and responses depend on scale. Nowhere are these methods more promising than in the environmental sciences.

  5. Multi-Scale Coupling in Ocean and Climate Modeling

    Energy Technology Data Exchange (ETDEWEB)

    Zhengyu Liu, Leslie Smith

    2009-08-14

    We have made significant progress on several projects aimed at understanding multi-scale dynamics in geophysical flows. Large-scale flows in the atmosphere and ocean are influenced by stable density stratification and rotation. The presence of stratification and rotation has important consequences through (i) the conservation of potential vorticity q = {omega} {center_dot} {del} {rho}, where {omega} is the total vorticity and {rho} is the density, and (ii) the existence of waves that affect the redistribution of energy from a given disturbance to the flow. Our research is centered on quantifying the effects of potential vorticity conservation and of wave interactions for the coupling of disparate time and space scales in the oceans and the atmosphere. Ultimately we expect the work to help improve predictive capabilities of atmosphere, ocean and climate modelers. The main findings of our research projects are described.

  6. Concurrent multiscale modelling of atomistic and hydrodynamic processes in liquids

    Science.gov (United States)

    Markesteijn, Anton; Karabasov, Sergey; Scukins, Arturs; Nerukh, Dmitry; Glotov, Vyacheslav; Goloviznin, Vasily

    2014-01-01

    Fluctuations of liquids at the scales where the hydrodynamic and atomistic descriptions overlap are considered. The importance of these fluctuations for atomistic motions is discussed and examples of their accurate modelling with a multi-space–time-scale fluctuating hydrodynamics scheme are provided. To resolve microscopic details of liquid systems, including biomolecular solutions, together with macroscopic fluctuations in space–time, a novel hybrid atomistic–fluctuating hydrodynamics approach is introduced. For a smooth transition between the atomistic and continuum representations, an analogy with two-phase hydrodynamics is used that leads to a strict preservation of macroscopic mass and momentum conservation laws. Examples of numerical implementation of the new hybrid approach for the multiscale simulation of liquid argon in equilibrium conditions are provided. PMID:24982246

  7. Multiscale approach to modeling intrinsic dissipation in solids

    Science.gov (United States)

    Kunal, K.; Aluru, N. R.

    2016-08-01

    In this paper, we develop a multiscale approach to model intrinsic dissipation under high frequency of vibrations in solids. For vibrations with a timescale comparable to the phonon relaxation time, the local phonon distribution deviates from the equilibrium distribution. We extend the quasiharmonic (QHM) method to describe the dynamics under such a condition. The local deviation from the equilibrium state is characterized using a nonequilibrium stress tensor. A constitutive relation for the time evolution of the stress component is obtained. We then parametrize the evolution equation using the QHM method and a stochastic sampling approach. The stress relaxation dynamics is obtained using mode Langevin dynamics. Methods to obtain the input variables for the Langevin dynamics are discussed. The proposed methodology is used to obtain the dissipation rate Edissip for different cases. Frequency and size effect on Edissip are studied. The results are compared with those obtained using nonequilibrium molecular dynamics (MD).

  8. Multiscale Modeling of Metallic Materials Containing Embedded Particles

    Science.gov (United States)

    Phillips, Dawn R.; Iesulauro, Erin; Glaessgen, Edward H.

    2004-01-01

    Multiscale modeling at small length scales (10(exp -9) to 10(exp -3) m) is discussed for aluminum matrices with embedded particles. A configuration containing one particle surrounded by about 50 grains and subjected to uniform tension and lateral constraint is considered. The analyses are performed to better understand the effects of material configuration on the initiation and progression of debonding of the particles from the surrounding aluminum matrix. Configurational parameters considered include particle aspect ratio and orientation within the surrounding matrix. Both configurational parameters are shown to have a significant effect on the behavior of the materials as a whole. For elliptical particles with the major axis perpendicular to the direction of loading, a particle with a 1:1 aspect ratio completely debonds from the surrounding matrix at higher loads than particles with higher aspect ratios. As the particle major axis is aligned with the direction of the applied load, increasing amounts of load are required to completely debond the particles.

  9. Multiscale modelling of hydrogen behaviour on beryllium (0001 surface

    Directory of Open Access Journals (Sweden)

    Ch. Stihl

    2016-12-01

    Full Text Available Beryllium is proposed to be a neutron multiplier and plasma facing material in future fusion devices. Therefore, it is crucial to acquire an understanding of the microscopic mechanisms of tritium accumulation and release as a result of transmutation processes that Be undergoes under neutron irradiation. A multiscale simulation of ad- and desorption of hydrogen isotopes on the beryllium (0001 surface is developed. It consists of ab initio calculations of certain H adsorption configurations, a suitable cluster expansion approximating the energies of arbitrary configurations, and a kinetic Monte Carlo method for dynamic simulations of adsorption and desorption. The processes implemented in the kinetic Monte Carlo simulation are deduced from further ab initio calculations comprising both, static relaxation as well as molecular dynamics runs. The simulation is used to reproduce experimental data and the results are compared and discussed. Based on the observed results, proposals for a refined model are made.

  10. On the construction of hierarchic models

    NARCIS (Netherlands)

    Out, D.-J.; Rikxoort, van R.P.; Bakker, R.R.

    1994-01-01

    One of the main problems in the field of model-based diagnosis of technical systems today is finding the most useful model or models of the system being diagnosed. Often, a model showing the physical components and the connections between them is all that is available. As systems grow larger and lar

  11. Multiscale and Multiphysics Modeling of Additive Manufacturing of Advanced Materials

    Science.gov (United States)

    Liou, Frank; Newkirk, Joseph; Fan, Zhiqiang; Sparks, Todd; Chen, Xueyang; Fletcher, Kenneth; Zhang, Jingwei; Zhang, Yunlu; Kumar, Kannan Suresh; Karnati, Sreekar

    2015-01-01

    The objective of this proposed project is to research and develop a prediction tool for advanced additive manufacturing (AAM) processes for advanced materials and develop experimental methods to provide fundamental properties and establish validation data. Aircraft structures and engines demand materials that are stronger, useable at much higher temperatures, provide less acoustic transmission, and enable more aeroelastic tailoring than those currently used. Significant improvements in properties can only be achieved by processing the materials under nonequilibrium conditions, such as AAM processes. AAM processes encompass a class of processes that use a focused heat source to create a melt pool on a substrate. Examples include Electron Beam Freeform Fabrication and Direct Metal Deposition. These types of additive processes enable fabrication of parts directly from CAD drawings. To achieve the desired material properties and geometries of the final structure, assessing the impact of process parameters and predicting optimized conditions with numerical modeling as an effective prediction tool is necessary. The targets for the processing are multiple and at different spatial scales, and the physical phenomena associated occur in multiphysics and multiscale. In this project, the research work has been developed to model AAM processes in a multiscale and multiphysics approach. A macroscale model was developed to investigate the residual stresses and distortion in AAM processes. A sequentially coupled, thermomechanical, finite element model was developed and validated experimentally. The results showed the temperature distribution, residual stress, and deformation within the formed deposits and substrates. A mesoscale model was developed to include heat transfer, phase change with mushy zone, incompressible free surface flow, solute redistribution, and surface tension. Because of excessive computing time needed, a parallel computing approach was also tested. In addition

  12. Modeling urban air pollution with optimized hierarchical fuzzy inference system.

    Science.gov (United States)

    Tashayo, Behnam; Alimohammadi, Abbas

    2016-10-01

    Environmental exposure assessments (EEA) and epidemiological studies require urban air pollution models with appropriate spatial and temporal resolutions. Uncertain available data and inflexible models can limit air pollution modeling techniques, particularly in under developing countries. This paper develops a hierarchical fuzzy inference system (HFIS) to model air pollution under different land use, transportation, and meteorological conditions. To improve performance, the system treats the issue as a large-scale and high-dimensional problem and develops the proposed model using a three-step approach. In the first step, a geospatial information system (GIS) and probabilistic methods are used to preprocess the data. In the second step, a hierarchical structure is generated based on the problem. In the third step, the accuracy and complexity of the model are simultaneously optimized with a multiple objective particle swarm optimization (MOPSO) algorithm. We examine the capabilities of the proposed model for predicting daily and annual mean PM2.5 and NO2 and compare the accuracy of the results with representative models from existing literature. The benefits provided by the model features, including probabilistic preprocessing, multi-objective optimization, and hierarchical structure, are precisely evaluated by comparing five different consecutive models in terms of accuracy and complexity criteria. Fivefold cross validation is used to assess the performance of the generated models. The respective average RMSEs and coefficients of determination (R (2)) for the test datasets using proposed model are as follows: daily PM2.5 = (8.13, 0.78), annual mean PM2.5 = (4.96, 0.80), daily NO2 = (5.63, 0.79), and annual mean NO2 = (2.89, 0.83). The obtained results demonstrate that the developed hierarchical fuzzy inference system can be utilized for modeling air pollution in EEA and epidemiological studies.

  13. ECoS, a framework for modelling hierarchical spatial systems.

    Science.gov (United States)

    Harris, John R W; Gorley, Ray N

    2003-10-01

    A general framework for modelling hierarchical spatial systems has been developed and implemented as the ECoS3 software package. The structure of this framework is described, and illustrated with representative examples. It allows the set-up and integration of sets of advection-diffusion equations representing multiple constituents interacting in a spatial context. Multiple spaces can be defined, with zero, one or two-dimensions and can be nested, and linked through constituent transfers. Model structure is generally object-oriented and hierarchical, reflecting the natural relations within its real-world analogue. Velocities, dispersions and inter-constituent transfers, together with additional functions, are defined as properties of constituents to which they apply. The resulting modular structure of ECoS models facilitates cut and paste model development, and template model components have been developed for the assembly of a range of estuarine water quality models. Published examples of applications to the geochemical dynamics of estuaries are listed.

  14. A New Method of Multi-Scale Geologic Modeling and Display

    Institute of Scientific and Technical Information of China (English)

    Yongliang Bai; Zhan Liu; Lanfa Liu; Roger Mason; Binghu Huang

    2014-01-01

    A new method of multi-scale modeling and display of geologic data is introduced to pro-vide information with appropriate detail levels for different types of research. The multi-scale display mode employs a model extending existing 2D methods into 3D space. Geologic models with different scales are organized by segmenting data into orthogonal blocks. A flow diagram illustrates an octree method for upscaling between blocks with different scales. Upscaling data from the smallest unit cells takes into account their average size and the Burgers vector when there are mismatches. A geocellular model of the Chengdao Reservoir of the Shengli Oilfield, China is taken as an illustrative case, showing that the methods proposed can construct a multi-scale geologic model correctly and display data from the multi-scale model effectively in 3D.

  15. Simulating cancer growth with multiscale agent-based modeling.

    Science.gov (United States)

    Wang, Zhihui; Butner, Joseph D; Kerketta, Romica; Cristini, Vittorio; Deisboeck, Thomas S

    2015-02-01

    There have been many techniques developed in recent years to in silico model a variety of cancer behaviors. Agent-based modeling is a specific discrete-based hybrid modeling approach that allows simulating the role of diversity in cell populations as well as within each individual cell; it has therefore become a powerful modeling method widely used by computational cancer researchers. Many aspects of tumor morphology including phenotype-changing mutations, the adaptation to microenvironment, the process of angiogenesis, the influence of extracellular matrix, reactions to chemotherapy or surgical intervention, the effects of oxygen and nutrient availability, and metastasis and invasion of healthy tissues have been incorporated and investigated in agent-based models. In this review, we introduce some of the most recent agent-based models that have provided insight into the understanding of cancer growth and invasion, spanning multiple biological scales in time and space, and we further describe several experimentally testable hypotheses generated by those models. We also discuss some of the current challenges of multiscale agent-based cancer models.

  16. A MULTISCALE, CELL-BASED FRAMEWORK FOR MODELING CANCER DEVELOPMENT

    Energy Technology Data Exchange (ETDEWEB)

    JIANG, YI [Los Alamos National Laboratory

    2007-01-16

    Cancer remains to be one of the leading causes of death due to diseases. We use a systems approach that combines mathematical modeling, numerical simulation, in vivo and in vitro experiments, to develop a predictive model that medical researchers can use to study and treat cancerous tumors. The multiscale, cell-based model includes intracellular regulations, cellular level dynamics and intercellular interactions, and extracellular level chemical dynamics. The intracellular level protein regulations and signaling pathways are described by Boolean networks. The cellular level growth and division dynamics, cellular adhesion and interaction with the extracellular matrix is described by a lattice Monte Carlo model (the Cellular Potts Model). The extracellular dynamics of the signaling molecules and metabolites are described by a system of reaction-diffusion equations. All three levels of the model are integrated through a hybrid parallel scheme into a high-performance simulation tool. The simulation results reproduce experimental data in both avasular tumors and tumor angiogenesis. By combining the model with experimental data to construct biologically accurate simulations of tumors and their vascular systems, this model will enable medical researchers to gain a deeper understanding of the cellular and molecular interactions associated with cancer progression and treatment.

  17. Ontology-based analysis of multi-scale modeling of geographical features

    Institute of Scientific and Technical Information of China (English)

    WANG; Yanhui; LI; Xiaojuan; GONG; Huili

    2006-01-01

    As multi-scale databases based on scale series of map data are built, conceptual models are needed to define proper multi-scale representation formulas and to extract model entities and the relationships among them. However, the results of multi-scale conceptual abstraction schema may differ, according to which cognition, abstraction and application views are utilized, which presents an obvious obstacle to the reuse and sharing of spatial data. To facilitate the design of unified, common and objective abstract schema views for multi-scale spatial databases, this paper proposes an ontology-based analysis method for the multi-scale modeling of geographical features. It includes a three-layer ontology model, which serves as the framework for common multi-scale abstraction schema; an explanation of formulary abstractions accompanied by definitions of entities and their relationships at the same scale, as well as different scales,which are meant to provide strong feasibility, expansibility and speciality functions; and a case in point involving multi-scale representations of road features, to verify the method's feasibility.

  18. Inference in HIV dynamics models via hierarchical likelihood

    OpenAIRE

    2010-01-01

    HIV dynamical models are often based on non-linear systems of ordinary differential equations (ODE), which do not have analytical solution. Introducing random effects in such models leads to very challenging non-linear mixed-effects models. To avoid the numerical computation of multiple integrals involved in the likelihood, we propose a hierarchical likelihood (h-likelihood) approach, treated in the spirit of a penalized likelihood. We give the asymptotic distribution of the maximum h-likelih...

  19. Tuneable resolution as a systems biology approach for multi-scale, multi-compartment computational models.

    Science.gov (United States)

    Kirschner, Denise E; Hunt, C Anthony; Marino, Simeone; Fallahi-Sichani, Mohammad; Linderman, Jennifer J

    2014-01-01

    The use of multi-scale mathematical and computational models to study complex biological processes is becoming increasingly productive. Multi-scale models span a range of spatial and/or temporal scales and can encompass multi-compartment (e.g., multi-organ) models. Modeling advances are enabling virtual experiments to explore and answer questions that are problematic to address in the wet-lab. Wet-lab experimental technologies now allow scientists to observe, measure, record, and analyze experiments focusing on different system aspects at a variety of biological scales. We need the technical ability to mirror that same flexibility in virtual experiments using multi-scale models. Here we present a new approach, tuneable resolution, which can begin providing that flexibility. Tuneable resolution involves fine- or coarse-graining existing multi-scale models at the user's discretion, allowing adjustment of the level of resolution specific to a question, an experiment, or a scale of interest. Tuneable resolution expands options for revising and validating mechanistic multi-scale models, can extend the longevity of multi-scale models, and may increase computational efficiency. The tuneable resolution approach can be applied to many model types, including differential equation, agent-based, and hybrid models. We demonstrate our tuneable resolution ideas with examples relevant to infectious disease modeling, illustrating key principles at work.

  20. Multiscale modeling of graphene- and nanotube-based reinforced polymer nanocomposites

    Energy Technology Data Exchange (ETDEWEB)

    Montazeri, A. [Computational Physical Sciences Research Laboratory, School of Nano-Science, Institute for Research in Fundamental Sciences (IPM), Tehran (Iran, Islamic Republic of); Rafii-Tabar, H., E-mail: rafii-tabar@nano.ipm.ac.ir [Computational Physical Sciences Research Laboratory, School of Nano-Science, Institute for Research in Fundamental Sciences (IPM), Tehran (Iran, Islamic Republic of); Department of Medical Physics and Biomedical Engineering, and Research Centre for Medical Nanotechnology and Tissue Engineering, Shahid Beheshti University of Medical Sciences, Evin, Tehran (Iran, Islamic Republic of)

    2011-10-31

    A combination of molecular dynamics, molecular structural mechanics, and finite element method is employed to compute the elastic constants of a polymeric nanocomposite embedded with graphene sheets, and carbon nanotubes. The model is first applied to study the effect of inclusion of graphene sheets on the Young modulus of the composite. To explore the significance of the nanofiller geometry, the elastic constants of nanotube-based and graphene-based polymer composites are computed under identical conditions. The reinforcement role of these nanofillers is also investigated in transverse directions. Moreover, the dependence of the nanocomposite's axial Young modulus on the presence of ripples on the surface of the embedded graphene sheets, due to thermal fluctuations, is examined via MD simulations. Finally, we have also studied the effect of sliding motion of graphene layers on the elastic constants of the nanocomposite. -- Highlights: → A hierarchical MD/FEM multiscale model of nanocomposites is developed. → At low nanofiller content, graphene layers perform significantly better than CNTs. → Ripples in the graphene layers reduce the Young modulus of nanocomposites. → The elastic moduli is considerably affected by the shear of graphene layers.

  1. A variational multiscale constitutive model for nanocrystalline materials

    KAUST Repository

    Gurses, Ercan

    2011-03-01

    This paper presents a variational multi-scale constitutive model in the finite deformation regime capable of capturing the mechanical behavior of nanocrystalline (nc) fcc metals. The nc-material is modeled as a two-phase material consisting of a grain interior phase and a grain boundary effected zone (GBAZ). A rate-independent isotropic porous plasticity model is employed to describe the GBAZ, whereas a crystal-plasticity model which accounts for the transition from partial dislocation to full dislocation mediated plasticity is employed for the grain interior. The constitutive models of both phases are formulated in a small strain framework and extended to finite deformation by use of logarithmic and exponential mappings. Assuming the rule of mixtures, the overall behavior of a given grain is obtained via volume averaging. The scale transition from a single grain to a polycrystal is achieved by Taylor-type homogenization where a log-normal grain size distribution is assumed. It is shown that the proposed model is able to capture the inverse HallPetch effect, i.e., loss of strength with grain size refinement. Finally, the predictive capability of the model is validated against experimental results on nanocrystalline copper and nickel. © 2010 Elsevier Ltd. All rights reserved.

  2. Cancer systems biology and modeling: microscopic scale and multiscale approaches.

    Science.gov (United States)

    Masoudi-Nejad, Ali; Bidkhori, Gholamreza; Hosseini Ashtiani, Saman; Najafi, Ali; Bozorgmehr, Joseph H; Wang, Edwin

    2015-02-01

    Cancer has become known as a complex and systematic disease on macroscopic, mesoscopic and microscopic scales. Systems biology employs state-of-the-art computational theories and high-throughput experimental data to model and simulate complex biological procedures such as cancer, which involves genetic and epigenetic, in addition to intracellular and extracellular complex interaction networks. In this paper, different systems biology modeling techniques such as systems of differential equations, stochastic methods, Boolean networks, Petri nets, cellular automata methods and agent-based systems are concisely discussed. We have compared the mentioned formalisms and tried to address the span of applicability they can bear on emerging cancer modeling and simulation approaches. Different scales of cancer modeling, namely, microscopic, mesoscopic and macroscopic scales are explained followed by an illustration of angiogenesis in microscopic scale of the cancer modeling. Then, the modeling of cancer cell proliferation and survival are examined on a microscopic scale and the modeling of multiscale tumor growth is explained along with its advantages.

  3. A Goddard Multi-Scale Modeling System with Unified Physics

    Science.gov (United States)

    Tao, Wei-Kuo

    2010-01-01

    A multi-scale modeling system with unified physics has been developed at NASA Goddard Space Flight Center (GSFC). The system consists of an MMF, the coupled NASA Goddard finite-volume GCM (fvGCM) and Goddard Cumulus Ensemble model (GCE, a CRM); the state-of-the-art Weather Research and Forecasting model (WRF) and the stand alone GCE. These models can share the same microphysical schemes, radiation (including explicitly calculated cloud optical properties), and surface models that have been developed, improved and tested for different environments. In this talk, I will present: (1) A brief review on GCE model and its applications on the impact of the aerosol on deep precipitation processes, (2) The Goddard MMF and the major difference between two existing MMFs (CSU MMF and Goddard MMF), and preliminary results (the comparison with traditional GCMs), and (3) A discussion on the Goddard WRF version (its developments and applications). We are also performing the inline tracer calculation to comprehend the physical processes (i.e., boundary layer and each quadrant in the boundary layer) related to the development and structure of hurricanes and mesoscale convective systems. In addition, high - resolution (spatial. 2km, and temporal, I minute) visualization showing the model results will be presented.

  4. Systematic multiscale models for deep convection on mesoscales

    Energy Technology Data Exchange (ETDEWEB)

    Klein, Rupert [Freie Universitaet Berlin and Potsdam Institute for Climate Impact Research, FB Mathematik and Informatik, Berlin (Germany); Majda, Andrew J. [New York University, Courant Institute of Mathematical Sciences, New York, NY (United States)

    2006-11-15

    This paper builds on recent developments of a unified asymptotic approach to meteorological modeling [ZAMM, 80: 765-777, 2000, SIAM Proc. App. Math. 116, 227-289, 2004], which was used successfully in the development of Systematic multiscale models for the tropics in Majda and Klein [J. Atmosph. Sci. 60: 393-408, 2003] and Majda and Biello [PNAS, 101: 4736-4741, 2004]. Biello and Majda [J. Atmosph. Sci. 62: 1694-1720, 2005]. Here we account for typical bulk microphysics parameterizations of moist processes within this framework. The key steps are careful nondimensionalization of the bulk microphysics equations and the choice of appropriate distinguished limits for the various nondimensional small parameters that appear. We are then in a position to study scale interactions in the atmosphere involving moist physics. We demonstrate this by developing two systematic multiscale models that are motivated by our interest in mesoscale organized convection. The emphasis here is on multiple length scales but common time scales. The first of these models describes the short-time evolution of slender, deep convective hot towers with horizontal scale {proportional_to}1 km interacting with the linearized momentum balance on length and time scales of (10 km/3 min). We expect this model to describe how convective inhibition may be overcome near the surface, how the onset of deep convection triggers convective-scale gravity waves, and that it will also yield new insight into how such local convective events may conspire to create larger-scale strong storms. The second model addresses the next larger range of length and time scales (10 km, 100 km, and 20 min) and exhibits mathematical features that are strongly reminiscent of mesoscale organized convection. In both cases, the asymptotic analysis reveals how the stiffness of condensation/evaporation processes induces highly nonlinear dynamics. Besides providing new theoretical insights, the derived models may also serve as a

  5. Multi-scale modeling of the CD8 immune response

    Energy Technology Data Exchange (ETDEWEB)

    Barbarroux, Loic, E-mail: loic.barbarroux@doctorant.ec-lyon.fr [Inria, Université de Lyon, UMR 5208, Institut Camille Jordan (France); Ecole Centrale de Lyon, 36 avenue Guy de Collongue, 69134 Ecully (France); Michel, Philippe, E-mail: philippe.michel@ec-lyon.fr [Inria, Université de Lyon, UMR 5208, Institut Camille Jordan (France); Ecole Centrale de Lyon, 36 avenue Guy de Collongue, 69134 Ecully (France); Adimy, Mostafa, E-mail: mostafa.adimy@inria.fr [Inria, Université de Lyon, UMR 5208, Université Lyon 1, Institut Camille Jordan, 43 Bd. du 11 novembre 1918, F-69200 Villeurbanne Cedex (France); Crauste, Fabien, E-mail: crauste@math.univ-lyon1.fr [Inria, Université de Lyon, UMR 5208, Université Lyon 1, Institut Camille Jordan, 43 Bd. du 11 novembre 1918, F-69200 Villeurbanne Cedex (France)

    2016-06-08

    During the primary CD8 T-Cell immune response to an intracellular pathogen, CD8 T-Cells undergo exponential proliferation and continuous differentiation, acquiring cytotoxic capabilities to address the infection and memorize the corresponding antigen. After cleaning the organism, the only CD8 T-Cells left are antigen-specific memory cells whose role is to respond stronger and faster in case they are presented this very same antigen again. That is how vaccines work: a small quantity of a weakened pathogen is introduced in the organism to trigger the primary response, generating corresponding memory cells in the process, giving the organism a way to defend himself in case it encounters the same pathogen again. To investigate this process, we propose a non linear, multi-scale mathematical model of the CD8 T-Cells immune response due to vaccination using a maturity structured partial differential equation. At the intracellular scale, the level of expression of key proteins is modeled by a delay differential equation system, which gives the speeds of maturation for each cell. The population of cells is modeled by a maturity structured equation whose speeds are given by the intracellular model. We focus here on building the model, as well as its asymptotic study. Finally, we display numerical simulations showing the model can reproduce the biological dynamics of the cell population for both the primary response and the secondary responses.

  6. Multiphysics and multiscale modelling of ductile cast iron solidification

    Directory of Open Access Journals (Sweden)

    D. Gurgul

    2010-01-01

    Full Text Available The presented model of ductile cast iron solidification is a typical sample of multiphysics and multiscale engineering system. This model takes into consideration the different time and spatial scales of accounted phenomenon of microstructure formation: heat diffusion, components mass diffusion in the liquid and solid phases, thermodynamic of phase transformation under the condition of inhomogeneous chemical composition of growing and vanishing phases, phase interface kinetics and grains nucleation.The results of two-dimensional modelling of the microstructure formation in the ductile cast iron (so called - Ductile Iron - DI are pre-sented. The cellular automaton model (CA was used for the simulation. Six states of CA cells were adopted to three phases above men-tioned (liquid, austenite and graphite and to three two-phase interfaces. For the modelling of concentration and temperature fields the numerical solution was used. The parabolic nonlinear differential equa-tions with a source term were solved by using the finite difference method and explicit scheme. The overlapping lattices with the same spatial step were used for the concentration field modelling and for the CA. The time scale of the temperature field for this lattice is about 104 times shorter. Due to above reasons the another lattice was used with a multiple spatial step and the same time step.

  7. A multiscale model for red blood cell mechanics.

    Science.gov (United States)

    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.

  8. Multiscale Model of Colorectal Cancer Using the Cellular Potts Framework.

    Science.gov (United States)

    Osborne, James M

    2015-01-01

    Colorectal cancer (CRC) is one of the major causes of death in the developed world and forms a canonical example of tumorigenesis. CRC arises from a string of mutations of individual cells in the colorectal crypt, making it particularly suited for multiscale multicellular modeling, where mutations of individual cells can be clearly represented and their effects readily tracked. In this paper, we present a multicellular model of the onset of colorectal cancer, utilizing the cellular Potts model (CPM). We use the model to investigate how, through the modification of their mechanical properties, mutant cells colonize the crypt. Moreover, we study the influence of mutations on the shape of cells in the crypt, suggesting possible cell- and tissue-level indicators for identifying early-stage cancerous crypts. Crucially, we discuss the effect that the motility parameters of the model (key factors in the behavior of the CPM) have on the distribution of cells within a homeostatic crypt, resulting in an optimal parameter regime that accurately reflects biological assumptions. In summary, the key results of this paper are 1) how to couple the CPM with processes occurring on other spatial scales, using the example of the crypt to motivate suitable motility parameters; 2) modeling mutant cells with the CPM; 3) and investigating how mutations influence the shape of cells in the crypt.

  9. Modeling diurnal hormone profiles by hierarchical state space models.

    Science.gov (United States)

    Liu, Ziyue; Guo, Wensheng

    2015-10-30

    Adrenocorticotropic hormone (ACTH) diurnal patterns contain both smooth circadian rhythms and pulsatile activities. How to evaluate and compare them between different groups is a challenging statistical task. In particular, we are interested in testing (1) whether the smooth ACTH circadian rhythms in chronic fatigue syndrome and fibromyalgia patients differ from those in healthy controls and (2) whether the patterns of pulsatile activities are different. In this paper, a hierarchical state space model is proposed to extract these signals from noisy observations. The smooth circadian rhythms shared by a group of subjects are modeled by periodic smoothing splines. The subject level pulsatile activities are modeled by autoregressive processes. A functional random effect is adopted at the pair level to account for the matched pair design. Parameters are estimated by maximizing the marginal likelihood. Signals are extracted as posterior means. Computationally efficient Kalman filter algorithms are adopted for implementation. Application of the proposed model reveals that the smooth circadian rhythms are similar in the two groups but the pulsatile activities in patients are weaker than those in the healthy controls. Copyright © 2015 John Wiley & Sons, Ltd.

  10. Learning curve estimation in medical devices and procedures: hierarchical modeling.

    Science.gov (United States)

    Govindarajulu, Usha S; Stillo, Marco; Goldfarb, David; Matheny, Michael E; Resnic, Frederic S

    2017-07-30

    In the use of medical device procedures, learning effects have been shown to be a critical component of medical device safety surveillance. To support their estimation of these effects, we evaluated multiple methods for modeling these rates within a complex simulated dataset representing patients treated by physicians clustered within institutions. We employed unique modeling for the learning curves to incorporate the learning hierarchy between institution and physicians and then modeled them within established methods that work with hierarchical data such as generalized estimating equations (GEE) and generalized linear mixed effect models. We found that both methods performed well, but that the GEE may have some advantages over the generalized linear mixed effect models for ease of modeling and a substantially lower rate of model convergence failures. We then focused more on using GEE and performed a separate simulation to vary the shape of the learning curve as well as employed various smoothing methods to the plots. We concluded that while both hierarchical methods can be used with our mathematical modeling of the learning curve, the GEE tended to perform better across multiple simulated scenarios in order to accurately model the learning effect as a function of physician and hospital hierarchical data in the use of a novel medical device. We found that the choice of shape used to produce the 'learning-free' dataset would be dataset specific, while the choice of smoothing method was negligibly different from one another. This was an important application to understand how best to fit this unique learning curve function for hierarchical physician and hospital data. Copyright © 2017 John Wiley & Sons, Ltd. Copyright © 2017 John Wiley & Sons, Ltd.

  11. Hierarchical Item Response Models for Cognitive Diagnosis

    Science.gov (United States)

    Hansen, Mark Patrick

    2013-01-01

    Cognitive diagnosis models (see, e.g., Rupp, Templin, & Henson, 2010) have received increasing attention within educational and psychological measurement. The popularity of these models may be largely due to their perceived ability to provide useful information concerning both examinees (classifying them according to their attribute profiles)…

  12. Hierarchical model-based interferometric synthetic aperture radar image registration

    Science.gov (United States)

    Wang, Yang; Huang, Haifeng; Dong, Zhen; Wu, Manqing

    2014-01-01

    With the rapid development of spaceborne interferometric synthetic aperture radar technology, classical image registration methods are incompetent for high-efficiency and high-accuracy masses of real data processing. Based on this fact, we propose a new method. This method consists of two steps: coarse registration that is realized by cross-correlation algorithm and fine registration that is realized by hierarchical model-based algorithm. Hierarchical model-based algorithm is a high-efficiency optimization algorithm. The key features of this algorithm are a global model that constrains the overall structure of the motion estimated, a local model that is used in the estimation process, and a coarse-to-fine refinement strategy. Experimental results from different kinds of simulated and real data have confirmed that the proposed method is very fast and has high accuracy. Comparing with a conventional cross-correlation method, the proposed method provides markedly improved performance.

  13. Concept Association and Hierarchical Hamming Clustering Model in Text Classification

    Institute of Scientific and Technical Information of China (English)

    Su Gui-yang; Li Jian-hua; Ma Ying-hua; Li Sheng-hong; Yin Zhong-hang

    2004-01-01

    We propose two models in this paper. The concept of association model is put forward to obtain the co-occurrence relationships among keywords in the documents and the hierarchical Hamming clustering model is used to reduce the dimensionality of the category feature vector space which can solve the problem of the extremely high dimensionality of the documents' feature space. The results of experiment indicate that it can obtain the co-occurrence relations among keywords in the documents which promote the recall of classification system effectively. The hierarchical Hamming clustering model can reduce the dimensionality of the category feature vector efficiently, the size of the vector space is only about 10% of the primary dimensionality.

  14. Dissecting magnetar variability with Bayesian hierarchical models

    CERN Document Server

    Huppenkothen, D; Hogg, D W; Murray, I; Frean, M; Elenbaas, C; Watts, A L; Levin, Y; van der Horst, A J; Kouveliotou, C

    2015-01-01

    Neutron stars are a prime laboratory for testing physical processes under conditions of strong gravity, high density, and extreme magnetic fields. Among the zoo of neutron star phenomena, magnetars stand out for their bursting behaviour, ranging from extremely bright, rare giant flares to numerous, less energetic recurrent bursts. The exact trigger and emission mechanisms for these bursts are not known; favoured models involve either a crust fracture and subsequent energy release into the magnetosphere, or explosive reconnection of magnetic field lines. In the absence of a predictive model, understanding the physical processes responsible for magnetar burst variability is difficult. Here, we develop an empirical model that decomposes magnetar bursts into a superposition of small spike-like features with a simple functional form, where the number of model components is itself part of the inference problem. The cascades of spikes that we model might be formed by avalanches of reconnection, or crust rupture afte...

  15. Final technical report for DOE Computational Nanoscience Project: Integrated Multiscale Modeling of Molecular Computing Devices

    Energy Technology Data Exchange (ETDEWEB)

    Cummings, P. T.

    2010-02-08

    This document reports the outcomes of the Computational Nanoscience Project, "Integrated Multiscale Modeling of Molecular Computing Devices". It includes a list of participants and publications arising from the research supported.

  16. Multiscale modeling of the trihexyltetradecylphosphonium chloride ionic liquid.

    Science.gov (United States)

    Wang, Yong-Lei; Sarman, Sten; Li, Bin; Laaksonen, Aatto

    2015-09-14

    A multiscale modeling protocol was sketched for the trihexyltetradecylphosphonium chloride ([P6,6,6,14]Cl) ionic liquid (IL). The optimized molecular geometries of an isolated [P6,6,6,14] cation and a tightly bound [P6,6,6,14]Cl ion pair structure were obtained from quantum chemistry ab initio calculations. A cost-effective united-atom model was proposed for the [P6,6,6,14] cation based on the corresponding atomistic model. Atomistic and coarse-grained molecular dynamics simulations were performed over a wide temperature range to validate the proposed united-atom [P6,6,6,14] model against the available experimental data. Through a systemic analysis of volumetric quantities, microscopic structures, and transport properties of the bulk [P6,6,6,14]Cl IL under varied thermodynamic conditions, it was identified that the proposed united-atom [P6,6,6,14] cationic model could essentially capture the local intermolecular structures and the nonlocal experimental thermodynamics, including liquid density, volume expansivity and isothermal compressibility, and transport properties, such as zero-shear viscosity, of the bulk [P6,6,6,14]Cl IL within a wide temperature range.

  17. Hierarchical Bulk Synchronous Parallel Model and Performance Optimization

    Institute of Scientific and Technical Information of China (English)

    HUANG Linpeng; SUNYongqiang; YUAN Wei

    1999-01-01

    Based on the framework of BSP, aHierarchical Bulk Synchronous Parallel (HBSP) performance model isintroduced in this paper to capture the performance optimizationproblem for various stages in parallel program development and toaccurately predict the performance of a parallel program byconsidering factors causing variance at local computation and globalcommunication. The related methodology has been applied to several realapplications and the results show that HBSP is a suitable model foroptimizing parallel programs.

  18. Fractal Derivative Model for Air Permeability in Hierarchic Porous Media

    Directory of Open Access Journals (Sweden)

    Jie Fan

    2012-01-01

    Full Text Available Air permeability in hierarchic porous media does not obey Fick's equation or its modification because fractal objects have well-defined geometric properties, which are discrete and discontinuous. We propose a theoretical model dealing with, for the first time, a seemingly complex air permeability process using fractal derivative method. The fractal derivative model has been successfully applied to explain the novel air permeability phenomenon of cocoon. The theoretical analysis was in agreement with experimental results.

  19. Relational grounding facilitates development of scientifically useful multiscale models

    Directory of Open Access Journals (Sweden)

    Lam Tai

    2011-09-01

    Full Text Available Abstract We review grounding issues that influence the scientific usefulness of any biomedical multiscale model (MSM. Groundings are the collection of units, dimensions, and/or objects to which a variable or model constituent refers. To date, models that primarily use continuous mathematics rely heavily on absolute grounding, whereas those that primarily use discrete software paradigms (e.g., object-oriented, agent-based, actor typically employ relational grounding. We review grounding issues and identify strategies to address them. We maintain that grounding issues should be addressed at the start of any MSM project and should be reevaluated throughout the model development process. We make the following points. Grounding decisions influence model flexibility, adaptability, and thus reusability. Grounding choices should be influenced by measures, uncertainty, system information, and the nature of available validation data. Absolute grounding complicates the process of combining models to form larger models unless all are grounded absolutely. Relational grounding facilitates referent knowledge embodiment within computational mechanisms but requires separate model-to-referent mappings. Absolute grounding can simplify integration by forcing common units and, hence, a common integration target, but context change may require model reengineering. Relational grounding enables synthesis of large, composite (multi-module models that can be robust to context changes. Because biological components have varying degrees of autonomy, corresponding components in MSMs need to do the same. Relational grounding facilitates achieving such autonomy. Biomimetic analogues designed to facilitate translational research and development must have long lifecycles. Exploring mechanisms of normal-to-disease transition requires model components that are grounded relationally. Multi-paradigm modeling requires both hyperspatial and relational grounding.

  20. Multi-scale salient feature extraction on mesh models

    KAUST Repository

    Yang, Yongliang

    2012-01-01

    We present a new method of extracting multi-scale salient features on meshes. It is based on robust estimation of curvature on multiple scales. The coincidence between salient feature and the scale of interest can be established straightforwardly, where detailed feature appears on small scale and feature with more global shape information shows up on large scale. We demonstrate this multi-scale description of features accords with human perception and can be further used for several applications as feature classification and viewpoint selection. Experiments exhibit that our method as a multi-scale analysis tool is very helpful for studying 3D shapes. © 2012 Springer-Verlag.

  1. A hierarchical model for spatial capture-recapture data

    Science.gov (United States)

    Royle, J. Andrew; Young, K.V.

    2008-01-01

    Estimating density is a fundamental objective of many animal population studies. Application of methods for estimating population size from ostensibly closed populations is widespread, but ineffective for estimating absolute density because most populations are subject to short-term movements or so-called temporary emigration. This phenomenon invalidates the resulting estimates because the effective sample area is unknown. A number of methods involving the adjustment of estimates based on heuristic considerations are in widespread use. In this paper, a hierarchical model of spatially indexed capture recapture data is proposed for sampling based on area searches of spatial sample units subject to uniform sampling intensity. The hierarchical model contains explicit models for the distribution of individuals and their movements, in addition to an observation model that is conditional on the location of individuals during sampling. Bayesian analysis of the hierarchical model is achieved by the use of data augmentation, which allows for a straightforward implementation in the freely available software WinBUGS. We present results of a simulation study that was carried out to evaluate the operating characteristics of the Bayesian estimator under variable densities and movement patterns of individuals. An application of the model is presented for survey data on the flat-tailed horned lizard (Phrynosoma mcallii) in Arizona, USA.

  2. Multiscale modeling of nerve agent hydrolysis mechanisms: a tale of two Nobel Prizes

    Science.gov (United States)

    Field, Martin J.; Wymore, Troy W.

    2014-10-01

    The 2013 Nobel Prize in Chemistry was awarded for the development of multiscale models for complex chemical systems, whereas the 2013 Peace Prize was given to the Organisation for the Prohibition of Chemical Weapons for their efforts to eliminate chemical warfare agents. This review relates the two by introducing the field of multiscale modeling and highlighting its application to the study of the biological mechanisms by which selected chemical weapon agents exert their effects at an atomic level.

  3. Multiscale Modeling Methods for Analysis of Failure Modes in Foldcore Sandwich Panels

    Science.gov (United States)

    Sturm, R.; Schatrow, P.; Klett, Y.

    2015-12-01

    The paper presents an homogenised core model suitable for use in the analysis of fuselage sandwich panels with folded composite cores under combined loading conditions. Within a multiscale numerical design process a failure criterion was derived for describing the macroscopic behaviour of folded cores under combined loading using a detailed foldcore micromodel. The multiscale modelling method was validated by simulation of combined compression/bending failure of foldcore sandwich panels.

  4. A Multiscale Mechanical Model for Plant Tissue Stiffness

    Directory of Open Access Journals (Sweden)

    Damiano Pasini

    2013-06-01

    Full Text Available Plant petioles and stems are hierarchical cellular structures, displaying structuralfeatures defined at multiple length scales. The current work focuses on the multi-scalemodelling of plant tissue, considering two orders of structural hierarchy, cell wall and tissue.The stiffness of plant tissue is largely governed by the geometry of the tissue cells, thecomposition of the cell wall and the structural properties of its constituents. The cell wallis analogous to a fiber reinforced composite, where the cellulose microfibril (CMF is theload bearing component. For multilayered cell wall, the microfibril angle (MFA in themiddle layer of the secondary cell wall (S2 layer largely affects the longitudinal stiffnessfor values up to 40o. The MFA in turn influences the overall wall stiffness. In this work,the effective stiffness of a model system based on collenchyma cell wall of a dicotyledonousplant, the Rheum rhabarbarum, is computed considering generic MFA and volume fractions.At the cellular level, a 2-D Finite Edge Centroidal Voronoi tessellation (FECVT has beendeveloped and implemented to generate the non-periodic microstructure of the plant tissue.The effective elastic properties of the cellular tissue are obtained through finite elementanalysis (FEA of the Voronoi model coupled with the cell wall properties. The stiffness ofthe hierarchically modeled tissue is critically important in determining the overall structuralproperties of plant petioles and stems.

  5. Integrating cellular metabolism into a multiscale whole-body model.

    Directory of Open Access Journals (Sweden)

    Markus Krauss

    Full Text Available Cellular metabolism continuously processes an enormous range of external compounds into endogenous metabolites and is as such a key element in human physiology. The multifaceted physiological role of the metabolic network fulfilling the catalytic conversions can only be fully understood from a whole-body perspective where the causal interplay of the metabolic states of individual cells, the surrounding tissue and the whole organism are simultaneously considered. We here present an approach relying on dynamic flux balance analysis that allows the integration of metabolic networks at the cellular scale into standardized physiologically-based pharmacokinetic models at the whole-body level. To evaluate our approach we integrated a genome-scale network reconstruction of a human hepatocyte into the liver tissue of a physiologically-based pharmacokinetic model of a human adult. The resulting multiscale model was used to investigate hyperuricemia therapy, ammonia detoxification and paracetamol-induced toxication at a systems level. The specific models simultaneously integrate multiple layers of biological organization and offer mechanistic insights into pathology and medication. The approach presented may in future support a mechanistic understanding in diagnostics and drug development.

  6. Improving NASA's Multiscale Modeling Framework for Tropical Cyclone Climate Study

    Science.gov (United States)

    Shen, Bo-Wen; Nelson, Bron; Cheung, Samson; Tao, Wei-Kuo

    2013-01-01

    One of the current challenges in tropical cyclone (TC) research is how to improve our understanding of TC interannual variability and the impact of climate change on TCs. Recent advances in global modeling, visualization, and supercomputing technologies at NASA show potential for such studies. In this article, the authors discuss recent scalability improvement to the multiscale modeling framework (MMF) that makes it feasible to perform long-term TC-resolving simulations. The MMF consists of the finite-volume general circulation model (fvGCM), supplemented by a copy of the Goddard cumulus ensemble model (GCE) at each of the fvGCM grid points, giving 13,104 GCE copies. The original fvGCM implementation has a 1D data decomposition; the revised MMF implementation retains the 1D decomposition for most of the code, but uses a 2D decomposition for the massive copies of GCEs. Because the vast majority of computation time in the MMF is spent computing the GCEs, this approach can achieve excellent speedup without incurring the cost of modifying the entire code. Intelligent process mapping allows differing numbers of processes to be assigned to each domain for load balancing. The revised parallel implementation shows highly promising scalability, obtaining a nearly 80-fold speedup by increasing the number of cores from 30 to 3,335.

  7. Multiscale model for pedestrian and infection dynamics during air travel

    Science.gov (United States)

    Namilae, Sirish; Derjany, Pierrot; Mubayi, Anuj; Scotch, Mathew; Srinivasan, Ashok

    2017-05-01

    In this paper we develop a multiscale model combining social-force-based pedestrian movement with a population level stochastic infection transmission dynamics framework. The model is then applied to study the infection transmission within airplanes and the transmission of the Ebola virus through casual contacts. Drastic limitations on air-travel during epidemics, such as during the 2014 Ebola outbreak in West Africa, carry considerable economic and human costs. We use the computational model to evaluate the effects of passenger movement within airplanes and air-travel policies on the geospatial spread of infectious diseases. We find that boarding policy by an airline is more critical for infection propagation compared to deplaning policy. Enplaning in two sections resulted in fewer infections than the currently followed strategy with multiple zones. In addition, we found that small commercial airplanes are better than larger ones at reducing the number of new infections in a flight. Aggregated results indicate that passenger movement strategies and airplane size predicted through these network models can have significant impact on an event like the 2014 Ebola epidemic. The methodology developed here is generic and can be readily modified to incorporate the impact from the outbreak of other directly transmitted infectious diseases.

  8. From multiscale modeling to meso-science a chemical engineering perspective

    CERN Document Server

    Li, Jinghai; Wang, Wei; Yang, Ning; Liu, Xinhua; Wang, Limin; He, Xianfeng; Wang, Xiaowei; Wang, Junwu; Kwauk, Mooson

    2013-01-01

    Multiscale modeling is becoming essential for accurate, rapid simulation in science and engineering. This book presents the results of three decades of research on multiscale modeling in process engineering from principles to application, and its generalization for different fields. This book considers the universality of meso-scale phenomena for the first time, and provides insight into the emerging discipline that unifies them, meso-science, as well as new perspectives for virtual process engineering. Multiscale modeling is applied in areas including: multiphase flow and fluid dynamics chemical, biochemical and process engineering mineral processing and metallurgical engineering energy and resources materials science and engineering Jinghai Li is Vice-President of the Chinese Academy of Sciences (CAS), a professor at the Institute of Process Engineering, CAS, and leader of the EMMS (Energy-minimization multiscale) Group. Wei Ge, Wei Wang, Ning Yang and Junwu Wang are professors at the EMMS Group, part of th...

  9. A hierarchical model for ordinal matrix factorization

    DEFF Research Database (Denmark)

    Paquet, Ulrich; Thomson, Blaise; Winther, Ole

    2012-01-01

    their ratings for other movies. The Netflix data set is used for evaluation, which consists of around 100 million ratings. Using root mean-squared error (RMSE) as an evaluation metric, results show that the suggested model outperforms alternative factorization techniques. Results also show how Gibbs sampling...

  10. Hierarchical, model-based risk management of critical infrastructures

    Energy Technology Data Exchange (ETDEWEB)

    Baiardi, F. [Polo G.Marconi La Spezia, Universita di Pisa, Pisa (Italy); Dipartimento di Informatica, Universita di Pisa, L.go B.Pontecorvo 3 56127, Pisa (Italy)], E-mail: f.baiardi@unipi.it; Telmon, C.; Sgandurra, D. [Dipartimento di Informatica, Universita di Pisa, L.go B.Pontecorvo 3 56127, Pisa (Italy)

    2009-09-15

    Risk management is a process that includes several steps, from vulnerability analysis to the formulation of a risk mitigation plan that selects countermeasures to be adopted. With reference to an information infrastructure, we present a risk management strategy that considers a sequence of hierarchical models, each describing dependencies among infrastructure components. A dependency exists anytime a security-related attribute of a component depends upon the attributes of other components. We discuss how this notion supports the formal definition of risk mitigation plan and the evaluation of the infrastructure robustness. A hierarchical relation exists among models that are analyzed because each model increases the level of details of some components in a previous one. Since components and dependencies are modeled through a hypergraph, to increase the model detail level, some hypergraph nodes are replaced by more and more detailed hypergraphs. We show how critical information for the assessment can be automatically deduced from the hypergraph and define conditions that determine cases where a hierarchical decomposition simplifies the assessment. In these cases, the assessment has to analyze the hypergraph that replaces the component rather than applying again all the analyses to a more detailed, and hence larger, hypergraph. We also show how the proposed framework supports the definition of a risk mitigation plan and discuss some indicators of the overall infrastructure robustness. Lastly, the development of tools to support the assessment is discussed.

  11. Guided extracellular matrix formation from fibroblast cells cultured on bio-inspired configurable multiscale substrata

    Directory of Open Access Journals (Sweden)

    Won-Gyu Bae

    2015-12-01

    Full Text Available Engineering complex extracellular matrix (ECM is an important challenge for cell and tissue engineering applications as well as for understanding fundamental cell biology. We developed the methodology for fabrication of precisely controllable multiscale hierarchical structures using capillary force lithography in combination with original wrinkling technique for the generation of well-defined native ECM-like platforms by culturing fibroblast cells on the multiscale substrata [1]. This paper provides information on detailed characteristics of polyethylene glycol-diacrylate multiscale substrata. In addition, a possible model for guided extracellular matrix formation from fibroblast cells cultured on bio-inspired configurable multiscale substrata is proposed.

  12. Introduction to Hierarchical Bayesian Modeling for Ecological Data

    CERN Document Server

    Parent, Eric

    2012-01-01

    Making statistical modeling and inference more accessible to ecologists and related scientists, Introduction to Hierarchical Bayesian Modeling for Ecological Data gives readers a flexible and effective framework to learn about complex ecological processes from various sources of data. It also helps readers get started on building their own statistical models. The text begins with simple models that progressively become more complex and realistic through explanatory covariates and intermediate hidden states variables. When fitting the models to data, the authors gradually present the concepts a

  13. A Hierarchical Probability Model of Colon Cancer

    CERN Document Server

    Kelly, Michael

    2010-01-01

    We consider a model of fixed size $N = 2^l$ in which there are $l$ generations of daughter cells and a stem cell. In each generation $i$ there are $2^{i-1}$ daughter cells. At each integral time unit the cells split so that the stem cell splits into a stem cell and generation 1 daughter cell and the generation $i$ daughter cells become two cells of generation $i+1$. The last generation is removed from the population. The stem cell gets first and second mutations at rates $u_1$ and $u_2$ and the daughter cells get first and second mutations at rates $v_1$ and $v_2$. We find the distribution for the time it takes to get two mutations as $N$ goes to infinity and the mutation rates go to 0. We also find the distribution for the location of the mutations. Several outcomes are possible depending on how fast the rates go to 0. The model considered has been proposed by Komarova (2007) as a model for colon cancer.

  14. Patterns of mesenchymal condensation in a multiscale, discrete stochastic model.

    Directory of Open Access Journals (Sweden)

    Scott Christley

    2007-04-01

    Full Text Available Cells of the embryonic vertebrate limb in high-density culture undergo chondrogenic pattern formation, which results in the production of regularly spaced "islands" of cartilage similar to the cartilage primordia of the developing limb skeleton. The first step in this process, in vitro and in vivo, is the generation of "cell condensations," in which the precartilage cells become more tightly packed at the sites at which cartilage will form. In this paper we describe a discrete, stochastic model for the behavior of limb bud precartilage mesenchymal cells in vitro. The model uses a biologically motivated reaction-diffusion process and cell-matrix adhesion (haptotaxis as the bases of chondrogenic pattern formation, whereby the biochemically distinct condensing cells, as well as the size, number, and arrangement of the multicellular condensations, are generated in a self-organizing fashion. Improving on an earlier lattice-gas representation of the same process, it is multiscale (i.e., cell and molecular dynamics occur on distinct scales, and the cells are represented as spatially extended objects that can change their shape. The authors calibrate the model using experimental data and study sensitivity to changes in key parameters. The simulations have disclosed two distinct dynamic regimes for pattern self-organization involving transient or stationary inductive patterns of morphogens. The authors discuss these modes of pattern formation in relation to available experimental evidence for the in vitro system, as well as their implications for understanding limb skeletal patterning during embryonic development.

  15. Damage modeling of small-scale experiments on dental enamel with hierarchical microstructure.

    Science.gov (United States)

    Scheider, I; Xiao, T; Yilmaz, E; Schneider, G A; Huber, N; Bargmann, S

    2015-03-01

    Dental enamel is a highly anisotropic and heterogeneous material, which exhibits an optimal reliability with respect to the various loads occurring over years. In this work, enamel's microstructure of parallel aligned rods of mineral fibers is modeled and mechanical properties are evaluated in terms of strength and toughness with the help of a multiscale modeling method. The established model is validated by comparing it with the stress-strain curves identified by microcantilever beam experiments extracted from these rods. Moreover, in order to gain further insight in the damage-tolerant behavior of enamel, the size of crystallites below which the structure becomes insensitive to flaws is studied by a microstructural finite element model. The assumption regarding the fiber strength is verified by a numerical study leading to accordance of fiber size and flaw tolerance size, and the debonding strength is estimated by optimizing the failure behavior of the microstructure on the hierarchical level above the individual fibers. Based on these well-grounded properties, the material behavior is predicted well by homogenization of a representative unit cell including damage, taking imperfections (like microcracks in the present case) into account. Copyright © 2014 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

  16. Hierarchical Model Predictive Control for Resource Distribution

    DEFF Research Database (Denmark)

    Bendtsen, Jan Dimon; Trangbæk, K; Stoustrup, Jakob

    2010-01-01

    This paper deals with hierarchichal model predictive control (MPC) of distributed systems. A three level hierachical approach is proposed, consisting of a high level MPC controller, a second level of so-called aggregators, controlled by an online MPC-like algorithm, and a lower level of autonomous...... facilitates plug-and-play addition of subsystems without redesign of any controllers. The method is supported by a number of simulations featuring a three-level smart-grid power control system for a small isolated power grid....

  17. Continuum damage modeling and simulation of hierarchical dental enamel

    Science.gov (United States)

    Ma, Songyun; Scheider, Ingo; Bargmann, Swantje

    2016-05-01

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

  18. Toward unification of the multiscale modeling of the atmosphere

    Directory of Open Access Journals (Sweden)

    A. Arakawa

    2011-01-01

    Full Text Available This paper suggests two possible routes to achieve the unification of model physics in coarse- and fine-resolution atmospheric models. As far as representation of deep moist convection is concerned, only two kinds of model physics are used at present: highly parameterized as in the conventional general circulation models (GCMs and explicitly simulated as in the cloud-resolving models (CRMs. Ideally, these two kinds of model physics should be unified so that a continuous transition of model physics from one kind to the other takes place as the resolution changes. With such unification, the GCM can converge to a global CRM (GCRM as the grid size is refined. ROUTE I for unification continues to follow the parameterization approach, but uses a unified parameterization that is applicable to any horizontal resolutions between those typically used by GCMs and CRMs. It is shown that a key to construct such a unified parameterization is to eliminate the assumption of small fractional area covered by convective clouds, which is commonly used in the conventional cumulus parameterizations either explicitly or implicitly. A preliminary design of the unified parameterization is presented, which demonstrates that such an assumption can be eliminated through a relatively minor modification of the existing mass-flux based parameterizations. Partial evaluations of the unified parameterization are also presented. ROUTE II for unification follows the "multi-scale modeling framework (MMF" approach, which takes advantage of explicit representation of deep moist convection and associated cloud-scale processes by CRMs. The Quasi-3-D (Q3-D MMF is an attempt to broaden the applicability of MMF without necessarily using a fully three-dimensional CRM. This is accomplished using a network of cloud-resolving grids with gaps. An outline of the Q3-D algorithm and highlights of preliminary results are reviewed.

  19. Multi-scale Modeling of Plasticity in Tantalum.

    Energy Technology Data Exchange (ETDEWEB)

    Lim, Hojun [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Battaile, Corbett Chandler. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Carroll, Jay [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Buchheit, Thomas E. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Boyce, Brad [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Weinberger, Christopher [Drexel Univ., Philadelphia, PA (United States)

    2015-12-01

    In this report, we present a multi-scale computational model to simulate plastic deformation of tantalum and validating experiments. In atomistic/ dislocation level, dislocation kink- pair theory is used to formulate temperature and strain rate dependent constitutive equations. The kink-pair theory is calibrated to available data from single crystal experiments to produce accurate and convenient constitutive laws. The model is then implemented into a BCC crystal plasticity finite element method (CP-FEM) model to predict temperature and strain rate dependent yield stresses of single and polycrystalline tantalum and compared with existing experimental data from the literature. Furthermore, classical continuum constitutive models describing temperature and strain rate dependent flow behaviors are fit to the yield stresses obtained from the CP-FEM polycrystal predictions. The model is then used to conduct hydro- dynamic simulations of Taylor cylinder impact test and compared with experiments. In order to validate the proposed tantalum CP-FEM model with experiments, we introduce a method for quantitative comparison of CP-FEM models with various experimental techniques. To mitigate the effects of unknown subsurface microstructure, tantalum tensile specimens with a pseudo-two-dimensional grain structure and grain sizes on the order of millimeters are used. A technique combining an electron back scatter diffraction (EBSD) and high resolution digital image correlation (HR-DIC) is used to measure the texture and sub-grain strain fields upon uniaxial tensile loading at various applied strains. Deformed specimens are also analyzed with optical profilometry measurements to obtain out-of- plane strain fields. These high resolution measurements are directly compared with large-scale CP-FEM predictions. This computational method directly links fundamental dislocation physics to plastic deformations in the grain-scale and to the engineering-scale applications. Furthermore, direct

  20. Multiscale mathematical modeling of the hypothalamo-pituitary-gonadal axis.

    Science.gov (United States)

    Clément, Frédérique

    2016-07-01

    Although the fields of systems and integrative biology are in full expansion, few teams are involved worldwide into the study of reproductive function from the mathematical modeling viewpoint. This may be due to the fact that the reproductive function is not compulsory for individual organism survival, even if it is for species survival. Alternatively, the complexity of reproductive physiology may be discouraging. Indeed, the hypothalamo-pituitary-gonadal (HPG) axis involves not only several organs and tissues but also intricate time (from the neuronal millisecond timescale to circannual rhythmicity) and space (from molecules to organs) scales. Yet, mathematical modeling, and especially multiscale modeling, can renew our approaches of the molecular, cellular, and physiological processes underlying the control of reproductive functions. In turn, the remarkable dynamic features exhibited by the HPG axis raise intriguing and challenging questions to modelers and applied mathematicians. In this article, we draw a panoramic review of some mathematical models designed in the framework of the female HPG, with a special focus on the gonadal and central control of follicular development. On the gonadal side, the modeling of follicular development calls to the generic formalism of structured cell populations, that allows one to make mechanistic links between the control of cell fate (proliferation, differentiation, or apoptosis) and that of the follicle fate (ovulation or degeneration) or to investigate how the functional interactions between the oocyte and its surrounding cells shape the follicle morphogenesis. On the central, mainly hypothalamic side, models based on dynamical systems with multiple timescales allow one to represent within a single framework both the pulsatile and surge patterns of the neurohormone GnRH. Beyond their interest in basic research investigations, mathematical models can also be at the source of useful tools to study the encoding and decoding of

  1. Vein Texture Extraction Using the Multiscale Second-Order Differential Model

    Directory of Open Access Journals (Sweden)

    Xiong Xinyan

    2013-07-01

    Full Text Available In order to analyze the back of hand vein pattern rapidly and effectively, a novel approach based on multi-scale second-order differential model is proposed to extract the vein texture from vein samples directly, which is made up of two section: one is the foundation of local second-order differential model of vein texture(VLSDM, the other is texture extraction based on the multi-scale VLSDM. This paper analyzes the vein extraction using the multi-scale VLSDM and handles the filter response using the method of multi-scale analyzed noise filtered. This new algorithm has achieved good results for the vein texture, which is fuzzy, uneven distributed and cross-adhesion. Additionally this method keeps the original form of local shape and achieves orientation and scale information of the vein texture. The experiment result getting from this new method has also compared with another method and shown its outstanding performance.  

  2. Hierarchical mixture of experts and diagnostic modeling approach to reduce hydrologic model structural uncertainty: STRUCTURAL UNCERTAINTY DIAGNOSTICS

    Energy Technology Data Exchange (ETDEWEB)

    Moges, Edom [Civil and Environmental Engineering Department, Washington State University, Richland Washington USA; Demissie, Yonas [Civil and Environmental Engineering Department, Washington State University, Richland Washington USA; Li, Hong-Yi [Hydrology Group, Pacific Northwest National Laboratory, Richland Washington USA

    2016-04-01

    In most water resources applications, a single model structure might be inadequate to capture the dynamic multi-scale interactions among different hydrological processes. Calibrating single models for dynamic catchments, where multiple dominant processes exist, can result in displacement of errors from structure to parameters, which in turn leads to over-correction and biased predictions. An alternative to a single model structure is to develop local expert structures that are effective in representing the dominant components of the hydrologic process and adaptively integrate them based on an indicator variable. In this study, the Hierarchical Mixture of Experts (HME) framework is applied to integrate expert model structures representing the different components of the hydrologic process. Various signature diagnostic analyses are used to assess the presence of multiple dominant processes and the adequacy of a single model, as well as to identify the structures of the expert models. The approaches are applied for two distinct catchments, the Guadalupe River (Texas) and the French Broad River (North Carolina) from the Model Parameter Estimation Experiment (MOPEX), using different structures of the HBV model. The results show that the HME approach has a better performance over the single model for the Guadalupe catchment, where multiple dominant processes are witnessed through diagnostic measures. Whereas, the diagnostics and aggregated performance measures prove that French Broad has a homogeneous catchment response, making the single model adequate to capture the response.

  3. Bayesian Hierarchical Models to Augment the Mediterranean Forecast System

    Science.gov (United States)

    2016-06-07

    year. Our goal is to develop an ensemble ocean forecast methodology, using Bayesian Hierarchical Modelling (BHM) tools . The ocean ensemble forecast...from above); i.e. we assume Ut ~ Z Λt1/2. WORK COMPLETED The prototype MFS-Wind-BHM was designed and implemented based on stochastic...coding refinements we implemented on the prototype surface wind BHM. A DWF event in February 2005, in the Gulf of Lions, was identified for reforecast

  4. Emergence of a 'visual number sense' in hierarchical generative models.

    Science.gov (United States)

    Stoianov, Ivilin; Zorzi, Marco

    2012-01-08

    Numerosity estimation is phylogenetically ancient and foundational to human mathematical learning, but its computational bases remain controversial. Here we show that visual numerosity emerges as a statistical property of images in 'deep networks' that learn a hierarchical generative model of the sensory input. Emergent numerosity detectors had response profiles resembling those of monkey parietal neurons and supported numerosity estimation with the same behavioral signature shown by humans and animals.

  5. Hierarchical animal movement models for population-level inference

    Science.gov (United States)

    Hooten, Mevin B.; Buderman, Frances E.; Brost, Brian M.; Hanks, Ephraim M.; Ivans, Jacob S.

    2016-01-01

    New methods for modeling animal movement based on telemetry data are developed regularly. With advances in telemetry capabilities, animal movement models are becoming increasingly sophisticated. Despite a need for population-level inference, animal movement models are still predominantly developed for individual-level inference. Most efforts to upscale the inference to the population level are either post hoc or complicated enough that only the developer can implement the model. Hierarchical Bayesian models provide an ideal platform for the development of population-level animal movement models but can be challenging to fit due to computational limitations or extensive tuning required. We propose a two-stage procedure for fitting hierarchical animal movement models to telemetry data. The two-stage approach is statistically rigorous and allows one to fit individual-level movement models separately, then resample them using a secondary MCMC algorithm. The primary advantages of the two-stage approach are that the first stage is easily parallelizable and the second stage is completely unsupervised, allowing for an automated fitting procedure in many cases. We demonstrate the two-stage procedure with two applications of animal movement models. The first application involves a spatial point process approach to modeling telemetry data, and the second involves a more complicated continuous-time discrete-space animal movement model. We fit these models to simulated data and real telemetry data arising from a population of monitored Canada lynx in Colorado, USA.

  6. Multiscale Parameter Regionalization for consistent global water resources modelling

    Science.gov (United States)

    Wanders, Niko; Wood, Eric; Pan, Ming; Samaniego, Luis; Thober, Stephan; Kumar, Rohini; Sutanudjaja, Edwin; van Beek, Rens; Bierkens, Marc F. P.

    2017-04-01

    Due to an increasing demand for high- and hyper-resolution water resources information, it has become increasingly important to ensure consistency in model simulations across scales. This consistency can be ensured by scale independent parameterization of the land surface processes, even after calibration of the water resource model. Here, we use the Multiscale Parameter Regionalization technique (MPR, Samaniego et al. 2010, WRR) to allow for a novel, spatially consistent, scale independent parameterization of the global water resource model PCR-GLOBWB. The implementation of MPR in PCR-GLOBWB allows for calibration at coarse resolutions and subsequent parameter transfer to the hyper-resolution. In this study, the model was calibrated at 50 km resolution over Europe and validation carried out at resolutions of 50 km, 10 km and 1 km. MPR allows for a direct transfer of the calibrated transfer function parameters across scales and we find that we can maintain consistent land-atmosphere fluxes across scales. Here we focus on the 2003 European drought and show that the new parameterization allows for high-resolution calibrated simulations of water resources during the drought. For example, we find a reduction from 29% to 9.4% in the percentile difference in the annual evaporative flux across scales when compared against default simulations. Soil moisture errors are reduced from 25% to 6.9%, clearly indicating the benefits of the MPR implementation. This new parameterization allows us to show more spatial detail in water resources simulations that are consistent across scales and also allow validation of discharge for smaller catchments, even with calibrations at a coarse 50 km resolution. The implementation of MPR allows for novel high-resolution calibrated simulations of a global water resources model, providing calibrated high-resolution model simulations with transferred parameter sets from coarse resolutions. The applied methodology can be transferred to other

  7. Coordinated Resource Management Models in Hierarchical Systems

    Directory of Open Access Journals (Sweden)

    Gabsi Mounir

    2013-03-01

    Full Text Available In response to the trend of efficient global economy, constructing a global logistic model has garnered much attention from the industry .Location selection is an important issue for those international companies that are interested in building a global logistics management system. Infrastructure in Developing Countries are based on the use of both classical and modern control technology, for which the most important components are professional levels of structure knowledge, dynamics and management processes, threats and interference and external and internal attacks. The problem of control flows of energy and materials resources in local and regional structures in normal and marginal, emergency operation provoked information attacks or threats on failure flows are further relevant especially when considering the low level of professional ,psychological and cognitive training of operational personnel manager. Logistics Strategies include the business goals requirements, allowable decisions tactics, and vision for designing and operating a logistics system .In this paper described the selection module coordinating flow management strategies based on the use of resources and logistics systems concepts.

  8. Multiscale Modeling of Au-Island Ripening on Au(100

    Directory of Open Access Journals (Sweden)

    Karin Kleiner

    2011-01-01

    Full Text Available We describe a multiscale modeling hierarchy for the particular case of Au-island ripening on Au(100. Starting at the microscopic scale, density functional theory was used to investigate a limited number of self-diffusion processes on perfect and imperfect Au(100 surfaces. The obtained structural and energetic information served as basis for optimizing a reactive forcefield (here ReaxFF, which afterwards was used to address the mesoscopic scale. Reactive force field simulations were performed to investigate more diffusion possibilities at a lower computational cost but with similar accuracy. Finally, we reached the macroscale by means of kinetic Monte Carlo (kMC simulations. The reaction rates for the reaction process database used in the kMC simulations were generated using the reactive force field. Using this strategy, we simulated nucleation, aggregation, and fluctuation processes for monoatomic high islands on Au(100 and modeled their equilibrium shape structures. Finally, by calculating the step line tension at different temperatures, we were able to make a direct comparison with available experimental data.

  9. Multiscale Modeling of Wear Degradation in Cylinder Liners

    KAUST Repository

    Moraes, Alvaro

    2014-03-20

    Every mechanical system is naturally subjected to some kind of wear process that, at some point, will cause failure in the system if no monitoring or treatment process is applied. Since failures often lead to high economical costs, it is essential both to predict and to avoid them. To achieve this, a monitoring system of the wear level should be implemented to decrease the risk of failure. In this work, we take a first step into the development of a multiscale indirect inference methodology for state-dependent Markovian pure jump processes. This allows us to model the evolution of the wear level and to identify when the system reaches some critical level that triggers a maintenance response. Since the likelihood function of a discretely observed pure jump process does not have an expression that is simple enough for standard nonsampling optimization methods, we approximate this likelihood by expressions from upscaled models of the data. We use the Master Equation (ME) to assess the goodness-of-fit and to compute the distribution of the hitting time to the critical level.

  10. Multiscale Finite-Element Modeling of Sandwich Honeycomb Composite Structures

    Directory of Open Access Journals (Sweden)

    Yu. I. Dimitrienko

    2014-01-01

    Full Text Available The paper presents a developed multi-scale model of sandwich honeycomb structures. The model allows us both to calculate effective elastic-strength characteristics of honeycomb and forced covering of sandwich, and to find a 3D stress-strain state of structures using the threedimensional elastic theory for non- homogeneous media. On the basis of finite element analysis it is shown, that under four-point bending the maximal value of bending and shear stresses in the sandwich honeycomb structures are realized in the zone of applied force and plate support. Here the local stress maxima approximately 2-3 times exceed the “engineering” theoretical plate values of bending and shear stresses in the middle of panel. It is established that at tests for fourpoint bending there is a failure of the honeycomb sandwich panels because of the local adhesion failure rather than because of the covering exfoliation off the honeycomb core in the middle of panel.

  11. Multiscale modeling and simulation of microtubule–motor-protein assemblies

    Science.gov (United States)

    Gao, Tong; Blackwell, Robert; Glaser, Matthew A.; Betterton, M. D.; Shelley, Michael J.

    2016-01-01

    Microtubules and motor proteins self-organize into biologically important assemblies including the mitotic spindle and the centrosomal microtubule array. Outside of cells, microtubule-motor mixtures can form novel active liquid-crystalline materials driven out of equilibrium by adenosine triphosphate–consuming motor proteins. Microscopic motor activity causes polarity-dependent interactions between motor proteins and microtubules, but how these interactions yield larger-scale dynamical behavior such as complex flows and defect dynamics is not well understood. We develop a multiscale theory for microtubule-motor systems in which Brownian dynamics simulations of polar microtubules driven by motors are used to study microscopic organization and stresses created by motor-mediated microtubule interactions. We identify polarity-sorting and crosslink tether relaxation as two polar-specific sources of active destabilizing stress. We then develop a continuum Doi-Onsager model that captures polarity sorting and the hydrodynamic flows generated by these polar-specific active stresses. In simulations of active nematic flows on immersed surfaces, the active stresses drive turbulent flow dynamics and continuous generation and annihilation of disclination defects. The dynamics follow from two instabilities, and accounting for the immersed nature of the experiment yields unambiguous characteristic length and time scales. When turning off the hydrodynamics in the Doi-Onsager model, we capture formation of polar lanes as observed in the Brownian dynamics simulation. PMID:26764729

  12. Theory and Modeling for the Magnetospheric Multiscale Mission

    Science.gov (United States)

    Hesse, M.; Aunai, N.; Birn, J.; Cassak, P.; Denton, R. E.; Drake, J. F.; Gombosi, T.; Hoshino, M.; Matthaeus, W.; Sibeck, D.; Zenitani, S.

    2016-03-01

    The Magnetospheric Multiscale (MMS) mission will provide measurement capabilities, which will exceed those of earlier and even contemporary missions by orders of magnitude. MMS will, for the first time, be able to measure directly and with sufficient resolution key features of the magnetic reconnection process, down to the critical electron scales, which need to be resolved to understand how reconnection works. Owing to the complexity and extremely high spatial resolution required, no prior measurements exist, which could be employed to guide the definition of measurement requirements, and consequently set essential parameters for mission planning and execution. Insight into expected details of the reconnection process could hence only been obtained from theory and modern kinetic modeling. This situation was recognized early on by MMS leadership, which supported the formation of a fully integrated Theory and Modeling Team (TMT). The TMT participated in all aspects of mission planning, from the proposal stage to individual aspects of instrument performance characteristics. It provided and continues to provide to the mission the latest insights regarding the kinetic physics of magnetic reconnection, as well as associated particle acceleration and turbulence, assuring that, to the best of modern knowledge, the mission is prepared to resolve the inner workings of the magnetic reconnection process. The present paper provides a summary of key recent results or reconnection research by TMT members.

  13. Hierarchical models and the analysis of bird survey information

    Science.gov (United States)

    Sauer, J.R.; Link, W.A.

    2003-01-01

    Management of birds often requires analysis of collections of estimates. We describe a hierarchical modeling approach to the analysis of these data, in which parameters associated with the individual species estimates are treated as random variables, and probability statements are made about the species parameters conditioned on the data. A Markov-Chain Monte Carlo (MCMC) procedure is used to fit the hierarchical model. This approach is computer intensive, and is based upon simulation. MCMC allows for estimation both of parameters and of derived statistics. To illustrate the application of this method, we use the case in which we are interested in attributes of a collection of estimates of population change. Using data for 28 species of grassland-breeding birds from the North American Breeding Bird Survey, we estimate the number of species with increasing populations, provide precision-adjusted rankings of species trends, and describe a measure of population stability as the probability that the trend for a species is within a certain interval. Hierarchical models can be applied to a variety of bird survey applications, and we are investigating their use in estimation of population change from survey data.

  14. A new approach for modeling generalization gradients: A case for Hierarchical Models

    Directory of Open Access Journals (Sweden)

    Koen eVanbrabant

    2015-05-01

    Full Text Available A case is made for the use of hierarchical models in the analysis of generalization gradients. Hierarchical models overcome several restrictions that are imposed by repeated measures analysis-of-variance (rANOVA, the default statistical method in current generalization research. More specifically, hierarchical models allow to include continuous independent variables and overcomes problematic assumptions such as sphericity. We focus on how generalization research can benefit from this added flexibility. In a simulation study we demonstrate the dominance of hierarchical models over rANOVA. In addition, we show the lack of efficiency of the Mauchly's sphericity test in sample sizes typical for generalization research, and confirm how violations of sphericity increase the probability of type I errors. A worked example of a hierarchical model is provided, with a specific emphasis on the interpretation of parameters relevant for generalization research.

  15. A new approach for modeling generalization gradients: a case for hierarchical models.

    Science.gov (United States)

    Vanbrabant, Koen; Boddez, Yannick; Verduyn, Philippe; Mestdagh, Merijn; Hermans, Dirk; Raes, Filip

    2015-01-01

    A case is made for the use of hierarchical models in the analysis of generalization gradients. Hierarchical models overcome several restrictions that are imposed by repeated measures analysis-of-variance (rANOVA), the default statistical method in current generalization research. More specifically, hierarchical models allow to include continuous independent variables and overcomes problematic assumptions such as sphericity. We focus on how generalization research can benefit from this added flexibility. In a simulation study we demonstrate the dominance of hierarchical models over rANOVA. In addition, we show the lack of efficiency of the Mauchly's sphericity test in sample sizes typical for generalization research, and confirm how violations of sphericity increase the probability of type I errors. A worked example of a hierarchical model is provided, with a specific emphasis on the interpretation of parameters relevant for generalization research.

  16. Reconstruction of late Holocene climate based on tree growth and mechanistic hierarchical models

    Science.gov (United States)

    Tipton, John; Hooten, Mevin B.; Pederson, Neil; Tingley, Martin; Bishop, Daniel

    2016-01-01

    Reconstruction of pre-instrumental, late Holocene climate is important for understanding how climate has changed in the past and how climate might change in the future. Statistical prediction of paleoclimate from tree ring widths is challenging because tree ring widths are a one-dimensional summary of annual growth that represents a multi-dimensional set of climatic and biotic influences. We develop a Bayesian hierarchical framework using a nonlinear, biologically motivated tree ring growth model to jointly reconstruct temperature and precipitation in the Hudson Valley, New York. Using a common growth function to describe the response of a tree to climate, we allow for species-specific parameterizations of the growth response. To enable predictive backcasts, we model the climate variables with a vector autoregressive process on an annual timescale coupled with a multivariate conditional autoregressive process that accounts for temporal correlation and cross-correlation between temperature and precipitation on a monthly scale. Our multi-scale temporal model allows for flexibility in the climate response through time at different temporal scales and predicts reasonable climate scenarios given tree ring width data.

  17. Toward unification of the multiscale modeling of the atmosphere

    Directory of Open Access Journals (Sweden)

    A. Arakawa

    2011-04-01

    Full Text Available As far as the representation of deep moist convection is concerned, only two kinds of model physics are used at present: highly parameterized as in the conventional general circulation models (GCMs and explicitly simulated as in the cloud-resolving models (CRMs. Ideally, these two kinds of model physics should be unified so that a continuous transition of model physics from one kind to the other takes place as the resolution changes. With such unification, the GCM can converge to a global CRM (GCRM as the grid size is refined. This paper suggests two possible routes to achieve the unification. ROUTE I continues to follow the parameterization approach, but uses a unified parameterization that is applicable to any horizontal resolutions between those typically used by GCMs and CRMs. It is shown that a key to construct such a unified parameterization is to eliminate the assumption of small fractional area covered by convective clouds, which is commonly used in the conventional cumulus parameterizations either explicitly or implicitly. A preliminary design of the unified parameterization is presented, which demonstrates that such an assumption can be eliminated through a relatively minor modification of the existing mass-flux based parameterizations. Partial evaluations of the unified parameterization are also presented. ROUTE II follows the "multi-scale modeling framework (MMF" approach, which takes advantage of explicit representation of deep moist convection and associated cloud-scale processes by CRMs. The Quasi-3-D (Q3-D MMF is an attempt to broaden the applicability of MMF without necessarily using a fully three-dimensional CRM. This is accomplished using a network of cloud-resolving grids with large gaps. An outline of the Q3-D algorithm and highlights of preliminary results are reviewed.

  18. Multi-scale Modelling of the Ocean Beneath Ice Shelves

    Science.gov (United States)

    Candy, A. S.; Kimura, S.; Holland, P.; Kramer, S. C.; Piggott, M. D.; Jenkins, A.; Pain, C. C.

    2011-12-01

    Quantitative prediction of future sea-level is currently limited because we lack an understanding of how the mass balance of the Earth's great ice sheets respond to and influence the climate. Understanding the behaviour of the ocean beneath an ice shelf and its interaction with the sheet above presents a great scientific challenge. A solid ice cover, in many places kilometres thick, bars access to the water column, so that observational data can only be obtained by drilling holes through, or launching autonomous vehicles beneath, the ice. In the absence of a comprehensive observational database, numerical modelling can be a key tool to advancing our understanding of the sub-ice-shelf regime. While we have a reasonable understanding of the overall ocean circulation and basic sensitivities, there remain critical processes that are difficult or impossible to represent in current operational models. Resolving these features adequately within a domain that includes the entire ice shelf and continental shelf to the north can be difficult with a structured horizontal resolution. It is currently impossible to adequately represent the key grounding line region, where the water column thickness reduces to zero, with a structured vertical grid. In addition, fronts and pycnoclines, the ice front geometry, shelf basal irregularities and modelling surface pressure all prove difficult in current approaches. The Fluidity-ICOM model (Piggott et al. 2008, doi:10.1002/fld.1663) simulates non-hydrostatic dynamics on meshes that can be unstructured in all three dimensions and uses anisotropic adaptive resolution which optimises the mesh and calculation in response to evolving solution dynamics. These features give it the flexibility required to tackle the challenges outlined above and the opportunity to develop a model that can improve understanding of the physical processes occurring under ice shelves. The approaches taken to develop a multi-scale model of ice shelf ocean cavity

  19. A Multiscale Nested Modeling Framework to Simulate the Interaction of Surface Gravity Waves with Nonlinear Internal Gravity Waves

    Science.gov (United States)

    2015-09-30

    1 A multiscale nested modeling framework to simulate the interaction of surface gravity waves with nonlinear internal gravity waves...Minnesota LONG-TERM GOALS Our long-term goal is to develop a multiscale nested modeling framework that simulates, with the finest resolution...frameworks such as the proposed HYCOM-LZSNFS-SUNTANS-LES nested model are crucial for understanding multiscale processes that are unresolved, and hence

  20. Facing the challenges of multiscale modelling of bacterial and fungal pathogen-host interactions.

    Science.gov (United States)

    Schleicher, Jana; Conrad, Theresia; Gustafsson, Mika; Cedersund, Gunnar; Guthke, Reinhard; Linde, Jörg

    2017-03-01

    Recent and rapidly evolving progress on high-throughput measurement techniques and computational performance has led to the emergence of new disciplines, such as systems medicine and translational systems biology. At the core of these disciplines lies the desire to produce multiscale models: mathematical models that integrate multiple scales of biological organization, ranging from molecular, cellular and tissue models to organ, whole-organism and population scale models. Using such models, hypotheses can systematically be tested. In this review, we present state-of-the-art multiscale modelling of bacterial and fungal infections, considering both the pathogen and host as well as their interaction. Multiscale modelling of the interactions of bacteria, especially Mycobacterium tuberculosis, with the human host is quite advanced. In contrast, models for fungal infections are still in their infancy, in particular regarding infections with the most important human pathogenic fungi, Candida albicans and Aspergillus fumigatus. We reflect on the current availability of computational approaches for multiscale modelling of host-pathogen interactions and point out current challenges. Finally, we provide an outlook for future requirements of multiscale modelling. © The Author 2016. Published by Oxford University Press.

  1. Facing the challenges of multiscale modelling of bacterial and fungal pathogen–host interactions

    Science.gov (United States)

    Schleicher, Jana; Conrad, Theresia; Gustafsson, Mika; Cedersund, Gunnar; Guthke, Reinhard

    2017-01-01

    Abstract Recent and rapidly evolving progress on high-throughput measurement techniques and computational performance has led to the emergence of new disciplines, such as systems medicine and translational systems biology. At the core of these disciplines lies the desire to produce multiscale models: mathematical models that integrate multiple scales of biological organization, ranging from molecular, cellular and tissue models to organ, whole-organism and population scale models. Using such models, hypotheses can systematically be tested. In this review, we present state-of-the-art multiscale modelling of bacterial and fungal infections, considering both the pathogen and host as well as their interaction. Multiscale modelling of the interactions of bacteria, especially Mycobacterium tuberculosis, with the human host is quite advanced. In contrast, models for fungal infections are still in their infancy, in particular regarding infections with the most important human pathogenic fungi, Candida albicans and Aspergillus fumigatus. We reflect on the current availability of computational approaches for multiscale modelling of host–pathogen interactions and point out current challenges. Finally, we provide an outlook for future requirements of multiscale modelling. PMID:26857943

  2. Hierarchical Models for Batteries: Overview with Some Case Studies

    Energy Technology Data Exchange (ETDEWEB)

    Pannala, Sreekanth [ORNL; Mukherjee, Partha P [ORNL; Allu, Srikanth [ORNL; Nanda, Jagjit [ORNL; Martha, Surendra K [ORNL; Dudney, Nancy J [ORNL; Turner, John A [ORNL

    2012-01-01

    Batteries are complex multiscale systems and a hierarchy of models has been employed to study different aspects of batteries at different resolutions. For the electrochemistry and charge transport, the models span from electric circuits, single-particle, pseudo 2D, detailed 3D, and microstructure resolved at the continuum scales and various techniques such as molecular dynamics and density functional theory to resolve the atomistic structure. Similar analogies exist for the thermal, mechanical, and electrical aspects of the batteries. We have been recently working on the development of a unified formulation for the continuum scales across the electrode-electrolyte-electrode system - using a rigorous volume averaging approach typical of multiphase formulation. This formulation accounts for any spatio-temporal variation of the different properties such as electrode/void volume fractions and anisotropic conductivities. In this talk the following will be presented: The background and the hierarchy of models that need to be integrated into a battery modeling framework to carry out predictive simulations, Our recent work on the unified 3D formulation addressing the missing links in the multiscale description of the batteries, Our work on microstructure resolved simulations for diffusion processes, Upscaling of quantities of interest to construct closures for the 3D continuum description, Sample results for a standard Carbon/Spinel cell will be presented and compared to experimental data, Finally, the infrastructure we are building to bring together components with different physics operating at different resolution will be presented. The presentation will also include details about how this generalized approach can be applied to other electrochemical storage systems such as supercapacitors, Li-Air batteries, and Lithium batteries with 3D architectures.

  3. Hierarchical Heteroclinics in Dynamical Model of Cognitive Processes: Chunking

    Science.gov (United States)

    Afraimovich, Valentin S.; Young, Todd R.; Rabinovich, Mikhail I.

    Combining the results of brain imaging and nonlinear dynamics provides a new hierarchical vision of brain network functionality that is helpful in understanding the relationship of the network to different mental tasks. Using these ideas it is possible to build adequate models for the description and prediction of different cognitive activities in which the number of variables is usually small enough for analysis. The dynamical images of different mental processes depend on their temporal organization and, as a rule, cannot be just simple attractors since cognition is characterized by transient dynamics. The mathematical image for a robust transient is a stable heteroclinic channel consisting of a chain of saddles connected by unstable separatrices. We focus here on hierarchical chunking dynamics that can represent several cognitive activities. Chunking is the dynamical phenomenon that means dividing a long information chain into shorter items. Chunking is known to be important in many processes of perception, learning, memory and cognition. We prove that in the phase space of the model that describes chunking there exists a new mathematical object — heteroclinic sequence of heteroclinic cycles — using the technique of slow-fast approximations. This new object serves as a skeleton of motions reflecting sequential features of hierarchical chunking dynamics and is an adequate image of the chunking processing.

  4. Transformations for temperature flux in multiscale models of the tropics

    Energy Technology Data Exchange (ETDEWEB)

    Biello, Joseph A.; Majda, Andrew J. [New York University, Courant Institute of Mathematical Sciences, New York, NY (United States)

    2006-11-15

    How much of the observed planetary-scale heating in the tropics is due to eddy flux convergence? A mathematical framework to address this important practical issue is developed here. We describe a pair of velocity transformations that remove components of the upscale temperature flux in the multiscale intraseasonal, planetary, equatorial synoptic-scale dynamics (IPESD) framework derived by Majda and Klein [J. Atmos. Sci. 60: 393-408, (2003)]. Using examples from the models of the Madden-Julian Oscillation of Biello and Majda [Proc. Natl. Acad. Sci. 101: 4736-4741, (2004); J. Atmos. Sci. 62: 1694-1721, (2005); Dyn. Oceans Atmos., in press] we demonstrate that the transformation for the meridional temperature flux convergence is possible with any restrictions on the heating profile, we show under which conditions the transformation for the vertical temperature flux convergence exists and, further, that the meridional transformation leads to a reinterpretation of lower troposphere Ekman dissipation as active heating plus zonal momentum drag. The meridional temperature flux transformation and induced meridional circulation is a new, tropical wave example of the transformed Eulerian mean theory in the case of strong vertical stratification of potential temperature. The asymptotic ordering of the flows means that the removal of the meridional temperature flux convergence has implications for how planetary-scale heating rates are inferred from velocity convergence measurements. (orig.)

  5. The multi-scale aerosol-climate model PNNL-MMF: model description and evaluation

    Directory of Open Access Journals (Sweden)

    M. Wang

    2011-03-01

    Full Text Available Anthropogenic aerosol effects on climate produce one of the largest uncertainties in estimates of radiative forcing of past and future climate change. Much of this uncertainty arises from the multi-scale nature of the interactions between aerosols, clouds and large-scale dynamics, which are difficult to represent in conventional general circulation models (GCMs. In this study, we develop a multi-scale aerosol-climate model that treats aerosols and clouds across different scales, and evaluate the model performance, with a focus on aerosol treatment. This new model is an extension of a multi-scale modeling framework (MMF model that embeds a cloud-resolving model (CRM within each grid column of a GCM. In this extension, the effects of clouds on aerosols are treated by using an explicit-cloud parameterized-pollutant (ECPP approach that links aerosol and chemical processes on the large-scale grid with statistics of cloud properties and processes resolved by the CRM. A two-moment cloud microphysics scheme replaces the simple bulk microphysics scheme in the CRM, and a modal aerosol treatment is included in the GCM. With these extensions, this multi-scale aerosol-climate model allows the explicit simulation of aerosol and chemical processes in both stratiform and convective clouds on a global scale.

    Simulated aerosol budgets in this new model are in the ranges of other model studies. Simulated gas and aerosol concentrations are in reasonable agreement with observations (within a factor of 2 in most cases, although the model underestimates black carbon concentrations at the surface by a factor of 2–4. Simulated aerosol size distributions are in reasonable agreement with observations in the marine boundary layer and in the free troposphere, while the model underestimates the accumulation mode number concentrations near the surface, and overestimates the accumulation mode number concentrations in the middle and upper free troposphere by a factor

  6. The multi-scale aerosol-climate model PNNL-MMF: model description and evaluation

    Science.gov (United States)

    Wang, M.; Ghan, S.; Easter, R.; Ovchinnikov, M.; Liu, X.; Kassianov, E.; Qian, Y.; Gustafson, W. I., Jr.; Larson, V. E.; Schanen, D. P.; Khairoutdinov, M.; Morrison, H.

    2011-03-01

    Anthropogenic aerosol effects on climate produce one of the largest uncertainties in estimates of radiative forcing of past and future climate change. Much of this uncertainty arises from the multi-scale nature of the interactions between aerosols, clouds and large-scale dynamics, which are difficult to represent in conventional general circulation models (GCMs). In this study, we develop a multi-scale aerosol-climate model that treats aerosols and clouds across different scales, and evaluate the model performance, with a focus on aerosol treatment. This new model is an extension of a multi-scale modeling framework (MMF) model that embeds a cloud-resolving model (CRM) within each grid column of a GCM. In this extension, the effects of clouds on aerosols are treated by using an explicit-cloud parameterized-pollutant (ECPP) approach that links aerosol and chemical processes on the large-scale grid with statistics of cloud properties and processes resolved by the CRM. A two-moment cloud microphysics scheme replaces the simple bulk microphysics scheme in the CRM, and a modal aerosol treatment is included in the GCM. With these extensions, this multi-scale aerosol-climate model allows the explicit simulation of aerosol and chemical processes in both stratiform and convective clouds on a global scale. Simulated aerosol budgets in this new model are in the ranges of other model studies. Simulated gas and aerosol concentrations are in reasonable agreement with observations (within a factor of 2 in most cases), although the model underestimates black carbon concentrations at the surface by a factor of 2-4. Simulated aerosol size distributions are in reasonable agreement with observations in the marine boundary layer and in the free troposphere, while the model underestimates the accumulation mode number concentrations near the surface, and overestimates the accumulation mode number concentrations in the middle and upper free troposphere by a factor of about 2. The

  7. Hierarchical modeling of cluster size in wildlife surveys

    Science.gov (United States)

    Royle, J. Andrew

    2008-01-01

    Clusters or groups of individuals are the fundamental unit of observation in many wildlife sampling problems, including aerial surveys of waterfowl, marine mammals, and ungulates. Explicit accounting of cluster size in models for estimating abundance is necessary because detection of individuals within clusters is not independent and detectability of clusters is likely to increase with cluster size. This induces a cluster size bias in which the average cluster size in the sample is larger than in the population at large. Thus, failure to account for the relationship between delectability and cluster size will tend to yield a positive bias in estimates of abundance or density. I describe a hierarchical modeling framework for accounting for cluster-size bias in animal sampling. The hierarchical model consists of models for the observation process conditional on the cluster size distribution and the cluster size distribution conditional on the total number of clusters. Optionally, a spatial model can be specified that describes variation in the total number of clusters per sample unit. Parameter estimation, model selection, and criticism may be carried out using conventional likelihood-based methods. An extension of the model is described for the situation where measurable covariates at the level of the sample unit are available. Several candidate models within the proposed class are evaluated for aerial survey data on mallard ducks (Anas platyrhynchos).

  8. Modeling and Simulations in Photoelectrochemical Water Oxidation: From Single Level to Multiscale Modeling.

    Science.gov (United States)

    Zhang, Xueqing; Bieberle-Hütter, Anja

    2016-06-08

    This review summarizes recent developments, challenges, and strategies in the field of modeling and simulations of photoelectrochemical (PEC) water oxidation. We focus on water splitting by metal-oxide semiconductors and discuss topics such as theoretical calculations of light absorption, band gap/band edge, charge transport, and electrochemical reactions at the electrode-electrolyte interface. In particular, we review the mechanisms of the oxygen evolution reaction, strategies to lower overpotential, and computational methods applied to PEC systems with particular focus on multiscale modeling. The current challenges in modeling PEC interfaces and their processes are summarized. At the end, we propose a new multiscale modeling approach to simulate the PEC interface under conditions most similar to those of experiments. This approach will contribute to identifying the limitations at PEC interfaces. Its generic nature allows its application to a number of electrochemical systems.

  9. Report of the proceedings of the Colloquium and Workshop on Multiscale Coupled Modeling

    Science.gov (United States)

    Koch, Steven E. (Editor)

    1993-01-01

    The Colloquium and Workshop on Multiscale Coupled Modeling was held for the purpose of addressing modeling issues of importance to planning for the Cooperative Multiscale Experiment (CME). The colloquium presentations attempted to assess the current ability of numerical models to accurately simulate the development and evolution of mesoscale cloud and precipitation systems and their cycling of water substance, energy, and trace species. The primary purpose of the workshop was to make specific recommendations for the improvement of mesoscale models prior to the CME, their coupling with cloud, cumulus ensemble, hydrology, air chemistry models, and the observational requirements to initialize and verify these models.

  10. A hierarchical community occurrence model for North Carolina stream fish

    Science.gov (United States)

    Midway, S.R.; Wagner, Tyler; Tracy, B.H.

    2016-01-01

    The southeastern USA is home to one of the richest—and most imperiled and threatened—freshwater fish assemblages in North America. For many of these rare and threatened species, conservation efforts are often limited by a lack of data. Drawing on a unique and extensive data set spanning over 20 years, we modeled occurrence probabilities of 126 stream fish species sampled throughout North Carolina, many of which occur more broadly in the southeastern USA. Specifically, we developed species-specific occurrence probabilities from hierarchical Bayesian multispecies models that were based on common land use and land cover covariates. We also used index of biotic integrity tolerance classifications as a second level in the model hierarchy; we identify this level as informative for our work, but it is flexible for future model applications. Based on the partial-pooling property of the models, we were able to generate occurrence probabilities for many imperiled and data-poor species in addition to highlighting a considerable amount of occurrence heterogeneity that supports species-specific investigations whenever possible. Our results provide critical species-level information on many threatened and imperiled species as well as information that may assist with re-evaluation of existing management strategies, such as the use of surrogate species. Finally, we highlight the use of a relatively simple hierarchical model that can easily be generalized for similar situations in which conventional models fail to provide reliable estimates for data-poor groups.

  11. The multi-scale aerosol-climate model PNNL-MMF: model description and evaluation

    Directory of Open Access Journals (Sweden)

    M. Wang

    2010-10-01

    Full Text Available Anthropogenic aerosol effects on climate produce one of the largest uncertainties in estimates of radiative forcing of past and future climate change. Much of this uncertainty arises from the multi-scale nature of the interactions between aerosols, clouds and large-scale dynamics, which are difficult to represent in conventional global climate models (GCMs. In this study, we develop a multi-scale aerosol climate model that treats aerosols and clouds across different scales, and evaluate the model performance, with a focus on aerosol treatment. This new model is an extension of a multi-scale modeling framework (MMF model that embeds a cloud-resolving model (CRM within each grid column of a GCM. In this extension, the effects of clouds on aerosols are treated by using an explicit-cloud parameterized-pollutant (ECPP approach that links aerosol and chemical processes on the large-scale grid with statistics of cloud properties and processes resolved by the CRM. A two-moment cloud microphysics scheme replaces the simple bulk microphysics scheme in the CRM, and a modal aerosol treatment is included in the GCM. With these extensions, this multi-scale aerosol-climate model allows the explicit simulation of aerosol and chemical processes in both stratiform and convective clouds on a global scale.

    Simulated aerosol budgets in this new model are in the ranges of other model studies. Simulated gas and aerosol concentrations are in reasonable agreement with observations, although the model underestimates black carbon concentrations at the surface. Simulated aerosol size distributions are in reasonable agreement with observations in the marine boundary layer and in the free troposphere, while the model underestimates the accumulation mode number concentrations near the surface, and overestimates the accumulation number concentrations in the free troposphere. Simulated cloud condensation nuclei (CCN concentrations are within the observational

  12. Parallelization and High-Performance Computing Enables Automated Statistical Inference of Multi-scale Models.

    Science.gov (United States)

    Jagiella, Nick; Rickert, Dennis; Theis, Fabian J; Hasenauer, Jan

    2017-02-22

    Mechanistic understanding of multi-scale biological processes, such as cell proliferation in a changing biological tissue, is readily facilitated by computational models. While tools exist to construct and simulate multi-scale models, the statistical inference of the unknown model parameters remains an open problem. Here, we present and benchmark a parallel approximate Bayesian computation sequential Monte Carlo (pABC SMC) algorithm, tailored for high-performance computing clusters. pABC SMC is fully automated and returns reliable parameter estimates and confidence intervals. By running the pABC SMC algorithm for ∼10(6) hr, we parameterize multi-scale models that accurately describe quantitative growth curves and histological data obtained in vivo from individual tumor spheroid growth in media droplets. The models capture the hybrid deterministic-stochastic behaviors of 10(5)-10(6) of cells growing in a 3D dynamically changing nutrient environment. The pABC SMC algorithm reliably converges to a consistent set of parameters. Our study demonstrates a proof of principle for robust, data-driven modeling of multi-scale biological systems and the feasibility of multi-scale model parameterization through statistical inference.

  13. Hierarchical Bayesian spatial models for multispecies conservation planning and monitoring.

    Science.gov (United States)

    Carroll, Carlos; Johnson, Devin S; Dunk, Jeffrey R; Zielinski, William J

    2010-12-01

    Biologists who develop and apply habitat models are often familiar with the statistical challenges posed by their data's spatial structure but are unsure of whether the use of complex spatial models will increase the utility of model results in planning. We compared the relative performance of nonspatial and hierarchical Bayesian spatial models for three vertebrate and invertebrate taxa of conservation concern (Church's sideband snails [Monadenia churchi], red tree voles [Arborimus longicaudus], and Pacific fishers [Martes pennanti pacifica]) that provide examples of a range of distributional extents and dispersal abilities. We used presence-absence data derived from regional monitoring programs to develop models with both landscape and site-level environmental covariates. We used Markov chain Monte Carlo algorithms and a conditional autoregressive or intrinsic conditional autoregressive model framework to fit spatial models. The fit of Bayesian spatial models was between 35 and 55% better than the fit of nonspatial analogue models. Bayesian spatial models outperformed analogous models developed with maximum entropy (Maxent) methods. Although the best spatial and nonspatial models included similar environmental variables, spatial models provided estimates of residual spatial effects that suggested how ecological processes might structure distribution patterns. Spatial models built from presence-absence data improved fit most for localized endemic species with ranges constrained by poorly known biogeographic factors and for widely distributed species suspected to be strongly affected by unmeasured environmental variables or population processes. By treating spatial effects as a variable of interest rather than a nuisance, hierarchical Bayesian spatial models, especially when they are based on a common broad-scale spatial lattice (here the national Forest Inventory and Analysis grid of 24 km(2) hexagons), can increase the relevance of habitat models to multispecies

  14. Application of Bayesian Hierarchical Prior Modeling to Sparse Channel Estimation

    DEFF Research Database (Denmark)

    Pedersen, Niels Lovmand; Manchón, Carles Navarro; Shutin, Dmitriy

    2012-01-01

    . The estimators result as an application of the variational message-passing algorithm on the factor graph representing the signal model extended with the hierarchical prior models. Numerical results demonstrate the superior performance of our channel estimators as compared to traditional and state......Existing methods for sparse channel estimation typically provide an estimate computed as the solution maximizing an objective function defined as the sum of the log-likelihood function and a penalization term proportional to the l1-norm of the parameter of interest. However, other penalization......-of-the-art sparse methods....

  15. Bayesian hierarchical modeling for detecting safety signals in clinical trials.

    Science.gov (United States)

    Xia, H Amy; Ma, Haijun; Carlin, Bradley P

    2011-09-01

    Detection of safety signals from clinical trial adverse event data is critical in drug development, but carries a challenging statistical multiplicity problem. Bayesian hierarchical mixture modeling is appealing for its ability to borrow strength across subgroups in the data, as well as moderate extreme findings most likely due merely to chance. We implement such a model for subject incidence (Berry and Berry, 2004 ) using a binomial likelihood, and extend it to subject-year adjusted incidence rate estimation under a Poisson likelihood. We use simulation to choose a signal detection threshold, and illustrate some effective graphics for displaying the flagged signals.

  16. An Extended Hierarchical Trusted Model for Wireless Sensor Networks

    Institute of Scientific and Technical Information of China (English)

    DU Ruiying; XU Mingdi; ZHANG Huanguo

    2006-01-01

    Cryptography and authentication are traditional approach for providing network security. However, they are not sufficient for solving the problems which malicious nodes compromise whole wireless sensor network leading to invalid data transmission and wasting resource by using vicious behaviors. This paper puts forward an extended hierarchical trusted architecture for wireless sensor network, and establishes trusted congregations by three-tier framework. The method combines statistics, economics with encrypt mechanism for developing two trusted models which evaluate cluster head nodes and common sensor nodes respectively. The models form logical trusted-link from command node to common sensor nodes and guarantees the network can run in secure and reliable circumstance.

  17. Ensemble renormalization group for the random-field hierarchical model.

    Science.gov (United States)

    Decelle, Aurélien; Parisi, Giorgio; Rocchi, Jacopo

    2014-03-01

    The renormalization group (RG) methods are still far from being completely understood in quenched disordered systems. In order to gain insight into the nature of the phase transition of these systems, it is common to investigate simple models. In this work we study a real-space RG transformation on the Dyson hierarchical lattice with a random field, which leads to a reconstruction of the RG flow and to an evaluation of the critical exponents of the model at T=0. We show that this method gives very accurate estimations of the critical exponents by comparing our results with those obtained by some of us using an independent method.

  18. Interface configuration stability and interfacial energy for the β″ phase in Al–Mg–Si as examined with a first principles based hierarchical multi-scale scheme

    Energy Technology Data Exchange (ETDEWEB)

    Ehlers, F.J.H., E-mail: flemming.ehlers@ntnu.no [Dept. of Physics, Norwegian University of Science and Technology (NTNU), 7491 Trondheim (Norway); Dumoulin, S. [SINTEF, Materials and Chemistry, 7465 Trondheim (Norway)

    2014-04-05

    Highlights: • Simultaneous determination of precipitate–host lattice interfacial and strain energy. • β″/Al structural interface configuration stability for full coherent interface. • Interfacial energy increase due to subsystem misfit strain effects. • Proposed interfacial energy dependence on chosen precipitate dimensions. -- Abstract: We examine interface configuration stabilities and determine interfacial energies over the full precipitate cross-section for the needle-shaped main hardening phase β″ in the Al–Mg–Si alloy system. Our supercell based studies are performed within the framework of density functional theory, hence providing first principles accuracy for the electronic structure. In addition, each cell is distorted according to information from a hierarchical multi-scale model scheme, implying that also the local ionic structure is mimicked throughout. Making use of the larger structural freedom available compared to an isolated supercell based approach, we propose a modified expression for deriving the interfacial energy. When examined for an average sized β″-Mg{sub 5}Al{sub 2}Si{sub 4} precipitate, this expression provides non-negligible changes to the interfacial energies, exceeding 20% for one interface. We further argue that a full hybrid scheme would likely influence the energies non-negligibly, with a dependence on the precipitate dimensions appearing plausible. Additional modification of the interfacial energy expression for implementation in such a scheme is discussed. Our calculations suggest stability of the structural interface configuration, compatible with a stoichiometric precipitate for the chosen bulk phase composition, over the entire interface.

  19. Facial animation on an anatomy-based hierarchical face model

    Science.gov (United States)

    Zhang, Yu; Prakash, Edmond C.; Sung, Eric

    2003-04-01

    In this paper we propose a new hierarchical 3D facial model based on anatomical knowledge that provides high fidelity for realistic facial expression animation. Like real human face, the facial model has a hierarchical biomechanical structure, incorporating a physically-based approximation to facial skin tissue, a set of anatomically-motivated facial muscle actuators and underlying skull structure. The deformable skin model has multi-layer structure to approximate different types of soft tissue. It takes into account the nonlinear stress-strain relationship of the skin and the fact that soft tissue is almost incompressible. Different types of muscle models have been developed to simulate distribution of the muscle force on the skin due to muscle contraction. By the presence of the skull model, our facial model takes advantage of both more accurate facial deformation and the consideration of facial anatomy during the interactive definition of facial muscles. Under the muscular force, the deformation of the facial skin is evaluated using numerical integration of the governing dynamic equations. The dynamic facial animation algorithm runs at interactive rate with flexible and realistic facial expressions to be generated.

  20. A Bisimulation-based Hierarchical Framework for Software Development Models

    Directory of Open Access Journals (Sweden)

    Ping Liang

    2013-08-01

    Full Text Available Software development models have been ripen since the emergence of software engineering, like waterfall model, V-model, spiral model, etc. To ensure the successful implementation of those models, various metrics for software products and development process have been developed along, like CMMI, software metrics, and process re-engineering, etc. The quality of software products and processes can be ensured in consistence as much as possible and the abstract integrity of a software product can be achieved. However, in reality, the maintenance of software products is still high and even higher along with software evolution due to the inconsistence occurred by changes and inherent errors of software products. It is better to build up a robust software product that can sustain changes as many as possible. Therefore, this paper proposes a process algebra based hierarchical framework to extract an abstract equivalent of deliverable at the end of phases of a software product from its software development models. The process algebra equivalent of the deliverable is developed hierarchically with the development of the software product, applying bi-simulation to test run the deliverable of phases to guarantee the consistence and integrity of the software development and product in a trivially mathematical way. And an algorithm is also given to carry out the assessment of the phase deliverable in process algebra.  

  1. C-HiLasso: A Collaborative Hierarchical Sparse Modeling Framework

    CERN Document Server

    Sprechmann, Pablo; Sapiro, Guillermo; Eldar, Yonina

    2010-01-01

    Sparse modeling is a powerful framework for data analysis and processing. Traditionally, encoding in this framework is performed by solving an L1-regularized linear regression problem, commonly referred to as Lasso or Basis Pursuit. In this work we combine the sparsity-inducing property of the Lasso model at the individual feature level, with the block-sparsity property of the Group Lasso model, where sparse groups of features are jointly encoded, obtaining a sparsity pattern hierarchically structured. This results in the Hierarchical Lasso (HiLasso), which shows important practical modeling advantages. We then extend this approach to the collaborative case, where a set of simultaneously coded signals share the same sparsity pattern at the higher (group) level, but not necessarily at the lower (inside the group) level, obtaining the collaborative HiLasso model (C-HiLasso). Such signals then share the same active groups, or classes, but not necessarily the same active set. This model is very well suited for ap...

  2. o-HETM: An Online Hierarchical Entity Topic Model for News Streams

    Science.gov (United States)

    2015-05-22

    Cao et al. (Eds.): PAKDD 2015, Part I, LNAI 9077, pp. 696–707, 2015. DOI: 10.1007/978-3-319-18038-0 54 o-HETM: An Online Hierarchical Entity Topic... 2004 ) o-HETM: An Online Hierarchical Entity Topic Model for News Streams 707 6. Mimno, D., Li, W., McCallum, A.: Mixtures of hierarchical topics with

  3. Multiscale modeling of the dynamics of multicellular systems

    Science.gov (United States)

    Kosztin, Ioan

    2011-03-01

    Describing the biomechanical properties of cellular systems, regarded as complex highly viscoelastic materials, is a difficult problem of great conceptual and practical value. Here we present a novel approach, referred to as the Cellular Particle Dynamics (CPD) method, for: (i) quantitatively relating biomechanical properties at the cell level to those at the multicellular and tissue level, and (ii) describing and predicting the time evolution of multicellular systems that undergo biomechanical relaxations. In CPD cells are modeled as an ensemble of cellular particles (CPs) that interact via short range contact interactions, characterized by an attractive (adhesive interaction) and a repulsive (excluded volume interaction) component. The time evolution of the spatial conformation of the multicellular system is determined by following the trajectories of all CPs through integration of their equations of motion. Cell and multicellular level biomechanical properties (e.g., viscosity, surface tension and shear modulus) are determined through the combined use of experiments and theory of continuum viscoelastic media. The same biomechanical properties are also ``measured'' computationally by employing the CPD method, the results being expressed in terms of CPD parameters. Once these parameters have been calibrated experimentally, the formalism provides a systematic framework to predict the time evolution of complex multicellular systems during shape-changing biomechanical transformations. By design, the CPD method is rather flexible and most suitable for multiscale modeling of multicellular system. The spatial level of detail of the system can be easily tuned by changing the number of CPs in a cell. Thus, CPD can be used equally well to describe both cell level processes (e.g., the adhesion of two cells) and tissue level processes (e.g., the formation of 3D constructs of millions of cells through bioprinting). Work supported by NSF [FIBR-0526854 and PHY-0957914

  4. Multiscale modeling and surgical planning for single ventricle heart patients

    Science.gov (United States)

    Marsden, Alison

    2011-11-01

    Single ventricle heart patients are among the most challenging for pediatric cardiologists to treat, and typically undergo a palliative course of three open-heart surgeries starting immediately after birth. We will present recent tools for modeling blood flow in single ventricle heart patients using a multiscale approach that couples a 3D Navier-Stokes domain to a 0D closed loop lumped parameter network comprised of circuit elements. This coupling allows us to capture the effect of changes in local geometry, such as shunt sizes, on global circulatory dynamics, such as cardiac output. A semi-implicit numerical method is formulated to solve the coupled system in which flow and pressure information is passed between the two domains at the inlets and outlets of the model. A finite element method with outflow stabilization is applied in the 3D Navier-Stokes domain, and the LPN system of ordinary differential equations is solved numerically using a Runge-Kutta method. These tools are coupled via automated scripts to a derivative-free optimization method. Optimization is used to systematically explore surgical designs using clinically relevant cost functions for two stages of single ventricle repair. First, we will present results from optimization of the first stage Blalock Taussig Shunt. Second, we will present results from optimization of a new Y-graft design for the third stage of single ventricle repair called the Fontan surgery. The Y-graft is shown, in simulations, to successfully improve hepatic flow distribution, a known clinical problem. Preliminary clinical experience with the Y-graft will be discussed.

  5. A hierarchical nest survival model integrating incomplete temporally varying covariates

    Science.gov (United States)

    Converse, Sarah J.; Royle, J. Andrew; Adler, Peter H.; Urbanek, Richard P.; Barzan, Jeb A.

    2013-01-01

    Nest success is a critical determinant of the dynamics of avian populations, and nest survival modeling has played a key role in advancing avian ecology and management. Beginning with the development of daily nest survival models, and proceeding through subsequent extensions, the capacity for modeling the effects of hypothesized factors on nest survival has expanded greatly. We extend nest survival models further by introducing an approach to deal with incompletely observed, temporally varying covariates using a hierarchical model. Hierarchical modeling offers a way to separate process and observational components of demographic models to obtain estimates of the parameters of primary interest, and to evaluate structural effects of ecological and management interest. We built a hierarchical model for daily nest survival to analyze nest data from reintroduced whooping cranes (Grus americana) in the Eastern Migratory Population. This reintroduction effort has been beset by poor reproduction, apparently due primarily to nest abandonment by breeding birds. We used the model to assess support for the hypothesis that nest abandonment is caused by harassment from biting insects. We obtained indices of blood-feeding insect populations based on the spatially interpolated counts of insects captured in carbon dioxide traps. However, insect trapping was not conducted daily, and so we had incomplete information on a temporally variable covariate of interest. We therefore supplemented our nest survival model with a parallel model for estimating the values of the missing insect covariates. We used Bayesian model selection to identify the best predictors of daily nest survival. Our results suggest that the black fly Simulium annulus may be negatively affecting nest survival of reintroduced whooping cranes, with decreasing nest survival as abundance of S. annulus increases. The modeling framework we have developed will be applied in the future to a larger data set to evaluate the

  6. A nonlinear manifold-based reduced order model for multiscale analysis of heterogeneous hyperelastic materials

    Science.gov (United States)

    Bhattacharjee, Satyaki; Matouš, Karel

    2016-05-01

    A new manifold-based reduced order model for nonlinear problems in multiscale modeling of heterogeneous hyperelastic materials is presented. The model relies on a global geometric framework for nonlinear dimensionality reduction (Isomap), and the macroscopic loading parameters are linked to the reduced space using a Neural Network. The proposed model provides both homogenization and localization of the multiscale solution in the context of computational homogenization. To construct the manifold, we perform a number of large three-dimensional simulations of a statistically representative unit cell using a parallel finite strain finite element solver. The manifold-based reduced order model is verified using common principles from the machine-learning community. Both homogenization and localization of the multiscale solution are demonstrated on a large three-dimensional example and the local microscopic fields as well as the homogenized macroscopic potential are obtained with acceptable engineering accuracy.

  7. Multiscale Multiphysics and Multidomain Models I: Basic Theory.

    Science.gov (United States)

    Wei, Guo-Wei

    2013-12-01

    This work extends our earlier two-domain formulation of a differential geometry based multiscale paradigm into a multidomain theory, which endows us the ability to simultaneously accommodate multiphysical descriptions of aqueous chemical, physical and biological systems, such as fuel cells, solar cells, nanofluidics, ion channels, viruses, RNA polymerases, molecular motors and large macromolecular complexes. The essential idea is to make use of the differential geometry theory of surfaces as a natural means to geometrically separate the macroscopic domain of solvent from the microscopic domain of solute, and dynamically couple continuum and discrete descriptions. Our main strategy is to construct energy functionals to put on an equal footing of multiphysics, including polar (i.e., electrostatic) solvation, nonpolar solvation, chemical potential, quantum mechanics, fluid mechanics, molecular mechanics, coarse grained dynamics and elastic dynamics. The variational principle is applied to the energy functionals to derive desirable governing equations, such as multidomain Laplace-Beltrami (LB) equations for macromolecular morphologies, multidomain Poisson-Boltzmann (PB) equation or Poisson equation for electrostatic potential, generalized Nernst-Planck (NP) equations for the dynamics of charged solvent species, generalized Navier-Stokes (NS) equation for fluid dynamics, generalized Newton's equations for molecular dynamics (MD) or coarse-grained dynamics and equation of motion for elastic dynamics. Unlike the classical PB equation, our PB equation is an integral-differential equation due to solvent-solute interactions. To illustrate the proposed formalism, we have explicitly constructed three models, a multidomain solvation model, a multidomain charge transport model and a multidomain chemo-electro-fluid-MD-elastic model. Each solute domain is equipped with distinct surface tension, pressure, dielectric function, and charge density distribution. In addition to long

  8. About wave field modeling in hierarchic medium with fractal inclusions

    Science.gov (United States)

    Hachay, Olga; Khachay, Andrey

    2014-05-01

    The processes of oil gaseous deposits outworking are linked with moving of polyphase multicomponent media, which are characterized by no equilibrium and nonlinear rheological features. The real behavior of layered systems is defined as complicated rheology moving liquids and structural morphology of porous media. It is eargently needed to account those factors for substantial description of the filtration processes. Additionally we must account also the synergetic effects. That allows suggesting new methods of control and managing of complicated natural systems, which can research these effects. Thus our research is directed to the layered system, from which we have to outwork oil and which is a complicated hierarchic dynamical system with fractal inclusions. In that paper we suggest the algorithm of modeling of 2-d seismic field distribution in the heterogeneous medium with hierarchic inclusions. Also we can compare the integral 2-D for seismic field in a frame of local hierarchic heterogeneity with a porous inclusion and pure elastic inclusion for the case when the parameter Lame is equal to zero for the inclusions and the layered structure. For that case we can regard the problem for the latitude and longitudinal waves independently. Here we shall analyze the first case. The received results can be used for choosing criterions of joined seismic methods for high complicated media research.If the boundaries of the inclusion of the k rank are fractals, the surface and contour integrals in the integral equations must be changed to repeated fractional integrals of Riman-Liuvill type .Using the developed earlier 3-d method of induction electromagnetic frequency geometric monitoring we showed the opportunity of defining of physical and structural features of hierarchic oil layer structure and estimating of water saturating by crack inclusions. For visualization we had elaborated some algorithms and programs for constructing cross sections for two hierarchic structural

  9. Radiation induced genome instability: multiscale modelling and data analysis

    Science.gov (United States)

    Andreev, Sergey; Eidelman, Yuri

    2012-07-01

    Genome instability (GI) is thought to be an important step in cancer induction and progression. Radiation induced GI is usually defined as genome alterations in the progeny of irradiated cells. The aim of this report is to demonstrate an opportunity for integrative analysis of radiation induced GI on the basis of multiscale modelling. Integrative, systems level modelling is necessary to assess different pathways resulting in GI in which a variety of genetic and epigenetic processes are involved. The multilevel modelling includes the Monte Carlo based simulation of several key processes involved in GI: DNA double strand breaks (DSBs) generation in cells initially irradiated as well as in descendants of irradiated cells, damage transmission through mitosis. Taking the cell-cycle-dependent generation of DNA/chromosome breakage into account ensures an advantage in estimating the contribution of different DNA damage response pathways to GI, as to nonhomologous vs homologous recombination repair mechanisms, the role of DSBs at telomeres or interstitial chromosomal sites, etc. The preliminary estimates show that both telomeric and non-telomeric DSB interactions are involved in delayed effects of radiation although differentially for different cell types. The computational experiments provide the data on the wide spectrum of GI endpoints (dicentrics, micronuclei, nonclonal translocations, chromatid exchanges, chromosome fragments) similar to those obtained experimentally for various cell lines under various experimental conditions. The modelling based analysis of experimental data demonstrates that radiation induced GI may be viewed as processes of delayed DSB induction/interaction/transmission being a key for quantification of GI. On the other hand, this conclusion is not sufficient to understand GI as a whole because factors of DNA non-damaging origin can also induce GI. Additionally, new data on induced pluripotent stem cells reveal that GI is acquired in normal mature

  10. Multiscale Modeling of Hydrogen Embrittlement for Multiphase Material

    KAUST Repository

    Al-Jabr, Khalid A.

    2014-05-01

    ABSTRACT Hydrogen Embrittlement (HE) is a very common failure mechanism induced crack propagation in materials that are utilized in oil and gas industry structural components and equipment. Considering the prediction of HE behavior, which is suggested in this study, is one technique of monitoring HE of equipment in service. Therefore, multi-scale constitutive models that account for the failure in polycrystalline Body Centered Cubic (BCC) materials due to hydrogen embrittlement are developed. The polycrystalline material is modeled as two-phase materials consisting of a grain interior (GI) phase and a grain boundary (GB) phase. In the rst part of this work, the hydrogen concentration in the GI (Cgi) and the GB (Cgb) as well as the hydrogen distribution in each phase, were calculated and modeled by using kinetic regime-A and C, respectively. In the second part of this work, this dissertation captures the adverse e ects of hydrogen concentration, in each phase, in micro/meso and macro-scale models on the mechanical behavior of steel; e.g. tensile strength and critical porosity. The models predict the damage mechanisms and the reduction in the ultimate strength pro le of a notched, round bar under tension for di erent hydrogen concentrations as observed in the experimental data available in the literature for steels. Moreover, the study outcomes are supported by the experimental data of the Fractography and HE indices investigation. In addition to the aforementioned continuum model, this work employs the Molecular Dynamics (MD) simulations to provide information regarding 4 5 bond formulation and breaking. The MD analyses are conducted for both single grain and polycrystalline BCC iron with di erent amounts of hydrogen and di erent size of nano-voids. The simulations show that the hydrogen atoms could form the transmission in materials con guration from BCC to FCC (Face Centered Cubic) and HCP (Hexagonal Close Packed). They also suggest the preferred sites of hydrogen

  11. Intercomparison of Multiscale Modeling Approaches in Simulating Subsurface Flow and Transport

    Science.gov (United States)

    Yang, X.; Mehmani, Y.; Barajas-Solano, D. A.; Song, H. S.; Balhoff, M.; Tartakovsky, A. M.; Scheibe, T. D.

    2016-12-01

    Hybrid multiscale simulations that couple models across scales are critical to advance predictions of the larger system behavior using understanding of fundamental processes. In the current study, three hybrid multiscale methods are intercompared: multiscale loose-coupling method, multiscale finite volume (MsFV) method and multiscale mortar method. The loose-coupling method enables a parallel workflow structure based on the Swift scripting environment that manages the complex process of executing coupled micro- and macro-scale models without being intrusive to the at-scale simulators. The MsFV method applies microscale and macroscale models over overlapping subdomains of the modeling domain and enforces continuity of concentration and transport fluxes between models via restriction and prolongation operators. The mortar method is a non-overlapping domain decomposition approach capable of coupling all permutations of pore- and continuum-scale models with each other. In doing so, Lagrange multipliers are used at interfaces shared between the subdomains so as to establish continuity of species/fluid mass flux. Subdomain computations can be performed either concurrently or non-concurrently depending on the algorithm used. All the above methods have been proven to be accurate and efficient in studying flow and transport in porous media. However, there has not been any field-scale applications and benchmarking among various hybrid multiscale approaches. To address this challenge, we apply all three hybrid multiscale methods to simulate water flow and transport in a conceptualized 2D modeling domain of the hyporheic zone, where strong interactions between groundwater and surface water exist across multiple scales. In all three multiscale methods, fine-scale simulations are applied to a thin layer of riverbed alluvial sediments while the macroscopic simulations are used for the larger subsurface aquifer domain. Different numerical coupling methods are then applied between

  12. Cooperative Research Alliance Multiscale Modeling of Electronic Materials (MSME)

    Science.gov (United States)

    2010-11-19

    transport characterization in nano-scale structures DC-40GHz environmental cryogenic I/V probe station Spectral dissection of bacteria and thin-films...Sensors and actuators for microrobots Graphene Flexible Displays Family of UGS Compact Radar Carbon Nanotubes Environmental Sensing Reformed...simulations • Develop innovative experimentation & validation techniques • Define multiscale material metrics • Perform processing & synthesis Multi

  13. Modular-based multiscale modeling on viscoelasticity of polymer nanocomposites

    Science.gov (United States)

    Li, Ying; Liu, Zeliang; Jia, Zheng; Liu, Wing Kam; Aldousari, Saad M.; Hedia, Hassan S.; Asiri, Saeed A.

    2016-10-01

    Polymer nanocomposites have been envisioned as advanced materials for improving the mechanical performance of neat polymers used in aerospace, petrochemical, environment and energy industries. With the filler size approaching the nanoscale, composite materials tend to demonstrate remarkable thermomechanical properties, even with addition of a small amount of fillers. These observations confront the classical composite theories and are usually attributed to the high surface-area-to-volume-ratio of the fillers, which can introduce strong nanoscale interfacial effect and relevant long-range perturbation on polymer chain dynamics. Despite decades of research aimed at understanding interfacial effect and improving the mechanical performance of composite materials, it is not currently possible to accurately predict the mechanical properties of polymer nanocomposites directly from their molecular constituents. To overcome this challenge, different theoretical, experimental and computational schemes will be used to uncover the key physical mechanisms at the relevant spatial and temporal scales for predicting and tuning constitutive behaviors in silico, thereby establishing a bottom-up virtual design principle to achieve unprecedented mechanical performance of nanocomposites. A modular-based multiscale modeling approach for viscoelasticity of polymer nanocomposites has been proposed and discussed in this study, including four modules: (A) neat polymer toolbox; (B) interphase toolbox; (C) microstructural toolbox and (D) homogenization toolbox. Integrating these modules together, macroscopic viscoelasticity of polymer nanocomposites could be directly predicted from their molecular constituents. This will maximize the computational ability to design novel polymer composites with advanced performance. More importantly, elucidating the viscoelasticity of polymer nanocomposites through fundamental studies is a critical step to generate an integrated computational material

  14. Modular-based multiscale modeling on viscoelasticity of polymer nanocomposites

    Science.gov (United States)

    Li, Ying; Liu, Zeliang; Jia, Zheng; Liu, Wing Kam; Aldousari, Saad M.; Hedia, Hassan S.; Asiri, Saeed A.

    2017-02-01

    Polymer nanocomposites have been envisioned as advanced materials for improving the mechanical performance of neat polymers used in aerospace, petrochemical, environment and energy industries. With the filler size approaching the nanoscale, composite materials tend to demonstrate remarkable thermomechanical properties, even with addition of a small amount of fillers. These observations confront the classical composite theories and are usually attributed to the high surface-area-to-volume-ratio of the fillers, which can introduce strong nanoscale interfacial effect and relevant long-range perturbation on polymer chain dynamics. Despite decades of research aimed at understanding interfacial effect and improving the mechanical performance of composite materials, it is not currently possible to accurately predict the mechanical properties of polymer nanocomposites directly from their molecular constituents. To overcome this challenge, different theoretical, experimental and computational schemes will be used to uncover the key physical mechanisms at the relevant spatial and temporal scales for predicting and tuning constitutive behaviors in silico, thereby establishing a bottom-up virtual design principle to achieve unprecedented mechanical performance of nanocomposites. A modular-based multiscale modeling approach for viscoelasticity of polymer nanocomposites has been proposed and discussed in this study, including four modules: (A) neat polymer toolbox; (B) interphase toolbox; (C) microstructural toolbox and (D) homogenization toolbox. Integrating these modules together, macroscopic viscoelasticity of polymer nanocomposites could be directly predicted from their molecular constituents. This will maximize the computational ability to design novel polymer composites with advanced performance. More importantly, elucidating the viscoelasticity of polymer nanocomposites through fundamental studies is a critical step to generate an integrated computational material

  15. Multiscale Modeling of Chemistry in Water: Are We There Yet?

    Science.gov (United States)

    Bulo, Rosa E; Michel, Carine; Fleurat-Lessard, Paul; Sautet, Philippe

    2013-12-10

    This paper critically evaluates the state of the art in combined quantum mechanical/molecular mechanical (QM/MM) approaches to the computational description of chemistry in water and supplies guidelines for the setup of customized multiscale simulations of aqueous processes. We differentiate between structural and dynamic performance, since some tasks, e.g., the reproduction of NMR or UV-vis spectra, require only structural accuracy, while others, i.e., reaction mechanisms, require accurate dynamic data as well. As a model system for aqueous solutions in general, the approaches were tested on a QM water cluster in an environment of MM water molecules. The key difficulty is the description of the possible diffusion of QM molecules into the MM region and vice versa. The flexible inner region ensemble separator (FIRES) approach constrains QM solvent molecules within an active (QM) region. Sorted adaptive partitioning (SAP), difference-based adaptive solvation (DAS), and buffered-force (BF) are all adaptive approaches that use a buffer zone in which solvent molecules gradually adapt from QM to MM (or vice versa). The costs of SAP and DAS are relatively high, while BF is fast but sacrifices conservation of both energy and momentum. Simulations in the limit of an infinitely small buffer zone, where DAS and SAP become equivalent, are discussed as well and referred to as ABRUPT. The best structural accuracy is obtained with DAS, BF, and ABRUPT, all three of similar quality. FIRES performs very well for dynamic properties localized deep within the QM region. By means of elimination DAS emerges as the best overall compromise between structural and dynamic performance. Eliminating the buffer zone (ABRUPT) improves efficiency and still leads to surprisingly good results. While none of the many new flavors are perfect, all together this new field already allows accurate description of a wide range of structural and dynamic properties of aqueous solutions.

  16. Linguistic steganography on Twitter: hierarchical language modeling with manual interaction

    Science.gov (United States)

    Wilson, Alex; Blunsom, Phil; Ker, Andrew D.

    2014-02-01

    This work proposes a natural language stegosystem for Twitter, modifying tweets as they are written to hide 4 bits of payload per tweet, which is a greater payload than previous systems have achieved. The system, CoverTweet, includes novel components, as well as some already developed in the literature. We believe that the task of transforming covers during embedding is equivalent to unilingual machine translation (paraphrasing), and we use this equivalence to de ne a distortion measure based on statistical machine translation methods. The system incorporates this measure of distortion to rank possible tweet paraphrases, using a hierarchical language model; we use human interaction as a second distortion measure to pick the best. The hierarchical language model is designed to model the speci c language of the covers, which in this setting is the language of the Twitter user who is embedding. This is a change from previous work, where general-purpose language models have been used. We evaluate our system by testing the output against human judges, and show that humans are unable to distinguish stego tweets from cover tweets any better than random guessing.

  17. Finite Population Correction for Two-Level Hierarchical Linear Models.

    Science.gov (United States)

    Lai, Mark H C; Kwok, Oi-Man; Hsiao, Yu-Yu; Cao, Qian

    2017-03-16

    The research literature has paid little attention to the issue of finite population at a higher level in hierarchical linear modeling. In this article, we propose a method to obtain finite-population-adjusted standard errors of Level-1 and Level-2 fixed effects in 2-level hierarchical linear models. When the finite population at Level-2 is incorrectly assumed as being infinite, the standard errors of the fixed effects are overestimated, resulting in lower statistical power and wider confidence intervals. The impact of ignoring finite population correction is illustrated by using both a real data example and a simulation study with a random intercept model and a random slope model. Simulation results indicated that the bias in the unadjusted fixed-effect standard errors was substantial when the Level-2 sample size exceeded 10% of the Level-2 population size; the bias increased with a larger intraclass correlation, a larger number of clusters, and a larger average cluster size. We also found that the proposed adjustment produced unbiased standard errors, particularly when the number of clusters was at least 30 and the average cluster size was at least 10. We encourage researchers to consider the characteristics of the target population for their studies and adjust for finite population when appropriate. (PsycINFO Database Record (c) 2017 APA, all rights reserved).

  18. A Hierarchical Model for Continuous Gesture Recognition Using Kinect

    DEFF Research Database (Denmark)

    Jensen, Søren Kejser; Moesgaard, Christoffer; Nielsen, Christoffer Samuel

    2013-01-01

    Human gesture recognition is an area, which has been studied thoroughly in recent years,and close to100% recognition rates in restricted environments have been achieved, often either with single separated gestures in the input stream, or with computationally intensive systems. The results...... are unfortunately not as striking, when it comes to a continuous stream of gestures. In this paper we introduce a hierarchical system for gesture recognition for use in a gaming setting, with a continuous stream of data. Layer 1 is based on Nearest Neighbor Search and layer 2 uses Hidden Markov Models. The system...

  19. Dynamical Properties of Potassium Ion Channels with a Hierarchical Model

    Institute of Scientific and Technical Information of China (English)

    ZHAN Yong; AN Hai-Long; YU Hui; ZHANG Su-Hua; HAN Ying-Rong

    2006-01-01

    @@ It is well known that potassium ion channels have higher permeability than K ions, and the permeable rate of a single K ion channel is about 108 ions per second. We develop a hierarchical model of potassium ion channel permeation involving ab initio quantum calculations and Brownian dynamics simulations, which can consistently explain a range of channel dynamics. The results show that the average velocity of K ions, the mean permeable time of K ions and the permeable rate of single channel are about 0.92nm/ns, 4.35ns and 2.30×108 ions/s,respectively.

  20. Hierarchical Stochastic Simulation Algorithm for SBML Models of Genetic Circuits

    Directory of Open Access Journals (Sweden)

    Leandro eWatanabe

    2014-11-01

    Full Text Available This paper describes a hierarchical stochastic simulation algorithm which has been implemented within iBioSim, a tool used to model, analyze, and visualize genetic circuits. Many biological analysis tools flatten out hierarchy before simulation, but there are many disadvantages associated with this approach. First, the memory required to represent the model can quickly expand in the process. Second, the flattening process is computationally expensive. Finally, when modeling a dynamic cellular population within iBioSim, inlining the hierarchy of the model is inefficient since models must grow dynamically over time. This paper discusses a new approach to handle hierarchy on the fly to make the tool faster and more memory-efficient. This approach yields significant performance improvements as compared to the former flat analysis method.

  1. A Hierarchical Model Architecture for Enterprise Integration in Chemical Industries

    Institute of Scientific and Technical Information of China (English)

    华贲; 周章玉; 成思危

    2001-01-01

    Towards integration of supply chain, manufacturing/production and investment decision making, this paper presents a hierarchical model architecture which contains six sub-models covering the areas of manufacturing control, production operation, design and revamp, production management, supply chain and investment decision making. Six types of flow, material, energy, information, humanware, partsware and capital are ciasified. These flows connect enterprise components/subsystems to formulate system topology and logical structure. Enterprise components/subsystems are abstracted to generic elementary and composite classes. Finally, the model architecture is applied to a management system of an integrated suply chain, and suggestion are made on the usage of the model architecture and further development of the model as well as imvlementation issues.

  2. Hierarchical Model for the Evolution of Cloud Complexes

    CERN Document Server

    Sánchez, N; Sanchez, Nestor; Parravano, Antonio

    1999-01-01

    The structure of cloud complexes appears to be well described by a "tree structure" representation when the image is partitioned into "clouds". In this representation, the parent-child relationships are assigned according to containment. Based on this picture, a hierarchical model for the evolution of Cloud Complexes, including star formation, is constructed, that follows the mass evolution of each sub-structure by computing its mass exchange (evaporation or condensation) with its parent and children, which depends on the radiation density at the interphase. For the set of parameters used as a reference model, the system produces IMFs with a maximum at too high mass (~2 M_sun) and the characteristic times for evolution seem too long. We show that these properties can be improved by adjusting model parameters. However, the emphasis here is to illustrate some general properties of this nonlinear model for the star formation process. Notwithstanding the simplifications involved, the model reveals an essential fe...

  3. A multiscale modeling study for the natural convection mass transfer in a subsurface aquifer

    CERN Document Server

    Alam, Jahrul M

    2013-01-01

    Quantitative and realistic computer simulations of mass transfer associated with CO2 disposal in subsurface aquifers is a challenging endeavor. This article has proposed a novel and efficient multiscale modeling framework, and has examined its potential to study the pen- etrative mass transfer in a CO2 plume that migrates in an aquifer. Nu- merical simulations indicate that the migration of the injected CO2 enhances the vorticity generation, and the dissolution of CO2 has a strong effect on the natural convection mass transfer. The vorticity decays with the increase of the porosity. The time scale of the vertical migration of a CO2 plume is strongly dependent on the rate of CO2 dissolution. Comparisons confirm the near optimal performance of the proposed multiscale model. These primary results with an idealized computational model of the CO2 migration in an aquifer brings the potential of the proposed multiscale model to the field of heat and mass transfer in the geoscience.

  4. Microphysics in the Multi-Scale Modeling Systems with Unified Physics

    Science.gov (United States)

    Tao, Wei-Kuo; Chern, J.; Lamg, S.; Matsui, T.; Shen, B.; Zeng, X.; Shi, R.

    2011-01-01

    In recent years, exponentially increasing computer power has extended Cloud Resolving Model (CRM) integrations from hours to months, the number of computational grid points from less than a thousand to close to ten million. Three-dimensional models are now more prevalent. Much attention is devoted to precipitating cloud systems where the crucial 1-km scales are resolved in horizontal domains as large as 10,000 km in two-dimensions, and 1,000 x 1,000 km2 in three-dimensions. Cloud resolving models now provide statistical information useful for developing more realistic physically based parameterizations for climate models and numerical weather prediction models. It is also expected that NWP and mesoscale model can be run in grid size similar to cloud resolving model through nesting technique. Recently, a multi-scale modeling system with unified physics was developed at NASA Goddard. It consists of (l) a cloud-resolving model (Goddard Cumulus Ensemble model, GCE model), (2) a regional scale model (a NASA unified weather research and forecast, WRF), (3) a coupled CRM and global model (Goddard Multi-scale Modeling Framework, MMF), and (4) a land modeling system. The same microphysical processes, long and short wave radiative transfer and land processes and the explicit cloud-radiation, and cloud-surface interactive processes are applied in this multi-scale modeling system. This modeling system has been coupled with a multi-satellite simulator to use NASA high-resolution satellite data to identify the strengths and weaknesses of cloud and precipitation processes simulated by the model. In this talk, the microphysics developments of the multi-scale modeling system will be presented. In particular, the results from using multi-scale modeling system to study the heavy precipitation processes will be presented.

  5. Multiscale Modeling of Grain-Boundary Fracture: Cohesive Zone Models Parameterized From Atomistic Simulations

    Science.gov (United States)

    Glaessgen, Edward H.; Saether, Erik; Phillips, Dawn R.; Yamakov, Vesselin

    2006-01-01

    A multiscale modeling strategy is developed to study grain boundary fracture in polycrystalline aluminum. Atomistic simulation is used to model fundamental nanoscale deformation and fracture mechanisms and to develop a constitutive relationship for separation along a grain boundary interface. The nanoscale constitutive relationship is then parameterized within a cohesive zone model to represent variations in grain boundary properties. These variations arise from the presence of vacancies, intersticies, and other defects in addition to deviations in grain boundary angle from the baseline configuration considered in the molecular dynamics simulation. The parameterized cohesive zone models are then used to model grain boundaries within finite element analyses of aluminum polycrystals.

  6. Evaluation of the Community Multiscale Air Quality model version 5.1

    Science.gov (United States)

    The Community Multiscale Air Quality model is a state-of-the-science air quality model that simulates the emission, transport and fate of numerous air pollutants, including ozone and particulate matter. The Atmospheric Modeling and Analysis Division (AMAD) of the U.S. Environment...

  7. Multi-scale modelling of submarine landslide-generated tsunamis

    Science.gov (United States)

    Hill, J.; Piggott, M. D.; Collins, G. S.; Smith, R. C.; Allison, P. A.

    2013-12-01

    Submarine landslides can be far larger than terrestrial landslides and many generate destructive tsunamis. The Storegga Slide, offshore Norway, covers an area larger than Scotland and contains 3,000 km3 of material (enough to cover Scotland to a depth of 80 m). This huge slide occurred at 8.2 ka and extends for 800 km down slope. It produced a tsunami with >20 m run-up around the Norwegian Sea, including the Shetlands, and run-ups were typically 3-4 m along the mainland coast of Scotland. The tsunami propagated as far as East Greenland. Northern Europe faces few, if any, other natural hazards that could cause damage on the scale of a repeat Storegga Slide tsunami. Modelling such vast natural disasters is not straightforward. In order to achieve accurate run-up, high resolution is required near the coastlines, but entire oceans must be modelled to account for the vast distances travelled by the wave. Here, we use the open-source, three-dimensional CFD model, Fluidity, to simulate the Storegga landslide-generated tsunami. Fluidity's unstructured meshing allows resolution to vary by orders of magnitude within a single numerical simulation. We present results from multi-scale simulations that capture fine-scale coastal details and at the same time cover a domain spanning the Arctic ocean to capture run-ups on the East Greenland coast. We also compare the effects of modern vs palaeo-bathymetry, which has been neglected in previous numerical modelling studies. Future work will include assessing other potential landslide sites and how landslide dynamics affect the resulting tsunami wave to be used in hazard assessment for Northern Europe. Close-up of the computational mesh around the UK coast, western Norway and as far east as Iceland. The shift in resolution from 750m at the coast to over 20km in open water is clearly visible. Note the high resolution area to the top left which is the Storegga Landslide region.

  8. The Feasibility of Multiscale Modeling of Tunnel Fires Using FDS 6

    DEFF Research Database (Denmark)

    Vermesi, Izabella; Colella, Francesco; Rein, Guillermo

    2014-01-01

    6. However, the simplifications that are made in this work require further investigation in order to take full advantage of the potential of this computational method. INTRODUCTION Multiscale modeling for tunnel flows and fires has previously been studied using RANS general purpose CFD software......-dimensional quantity. The present study aimed to analyze whether or not the multiscale modeling approach for tunnel fires could be successfully applied in Fire Dynamics Simulator 6 (FDS6), an open source, fire-specific CFD software [4] that is easily accessible to modeling specialists. METHOD The implementation...

  9. Fractal derivative multi-scale model of fluid particle transverse accelerations in fully developed turbulence

    Institute of Scientific and Technical Information of China (English)

    SUN HongGuang; CHEN Wen

    2009-01-01

    The Tsallis distribution and the stretched exponential distribution were successfully used to fit the experimental data of turbulence particle acceleration published in Nature (2001), which manifested a clear departure from the normal distribution. These studies, however, fall short of a clear physical mechanism behind the statistical phenomenological description. In this study, we propose a multi-scale diffusion model which considers both normal diffusion in molecular-scale and anomalous diffu-sion in vortex-scale, and the latter is described by a novel fractal derivative modeling approach. This multi-scale model gives rise to a new probability density function which fits experimental data very well.

  10. A multi-scale model for describing cancer-therapeutic transport in the human lung

    OpenAIRE

    Erbertseder, Karin Maria

    2012-01-01

    This thesis proposes a multi-scale model for describing cancer-therapeutic transport in the human lung. The developed multi-scale model represents flow, transport and reaction processes: in the pulmonary macrocirculation on the organ scale, in the capillary bed around an alveolus, in the surrounding pulmonary tissue and in the tumor on the tissue scale, and in the tumor cell population and in the single cancer cells on the cells scale. The model concept is specialized for an alveolar cell car...

  11. Modeling and simulation of high dimensional stochastic multiscale PDE systems at the exascale

    Energy Technology Data Exchange (ETDEWEB)

    Zabaras, Nicolas J. [Cornell Univ., Ithaca, NY (United States)

    2016-11-08

    Predictive Modeling of multiscale and Multiphysics systems requires accurate data driven characterization of the input uncertainties, and understanding of how they propagate across scales and alter the final solution. This project develops a rigorous mathematical framework and scalable uncertainty quantification algorithms to efficiently construct realistic low dimensional input models, and surrogate low complexity systems for the analysis, design, and control of physical systems represented by multiscale stochastic PDEs. The work can be applied to many areas including physical and biological processes, from climate modeling to systems biology.

  12. Unified Modeling Language description of the object-oriented multi-scale adaptive finite element method for Step-and-Flash Imprint Lithography Simulations

    Science.gov (United States)

    Paszyński, Maciej; Gurgul, Piotr; Sieniek, Marcin; Pardo, David

    2010-06-01

    In the first part of the paper we present the multi-scale simulation of the Step-and-Flash Imprint Lithography (SFIL), a modern patterning process. The simulation utilizes the hp adaptive Finite Element Method (hp-FEM) coupled with Molecular Statics (MS) model. Thus, we consider the multi-scale problem, with molecular statics applied in the areas of the mesh where the highest accuracy is required, and the continuous linear elasticity with thermal expansion coefficient applied in the remaining part of the domain. The degrees of freedom from macro-scale element's nodes located on the macro-scale side of the interface have been identified with particles from nano-scale elements located on the nano-scale side of the interface. In the second part of the paper we present Unified Modeling Language (UML) description of the resulting multi-scale application (hp-FEM coupled with MS). We investigated classical, procedural codes from the point of view of the object-oriented (O-O) programming paradigm. The discovered hierarchical structure of classes and algorithms makes the UML project as independent on the spatial dimension of the problem as possible. The O-O UML project was defined at an abstract level, independent on the programming language used.

  13. Spatial Bayesian hierarchical modelling of extreme sea states

    Science.gov (United States)

    Clancy, Colm; O'Sullivan, John; Sweeney, Conor; Dias, Frédéric; Parnell, Andrew C.

    2016-11-01

    A Bayesian hierarchical framework is used to model extreme sea states, incorporating a latent spatial process to more effectively capture the spatial variation of the extremes. The model is applied to a 34-year hindcast of significant wave height off the west coast of Ireland. The generalised Pareto distribution is fitted to declustered peaks over a threshold given by the 99.8th percentile of the data. Return levels of significant wave height are computed and compared against those from a model based on the commonly-used maximum likelihood inference method. The Bayesian spatial model produces smoother maps of return levels. Furthermore, this approach greatly reduces the uncertainty in the estimates, thus providing information on extremes which is more useful for practical applications.

  14. Inference in HIV dynamics models via hierarchical likelihood

    CERN Document Server

    Commenges, D; Putter, H; Thiebaut, R

    2010-01-01

    HIV dynamical models are often based on non-linear systems of ordinary differential equations (ODE), which do not have analytical solution. Introducing random effects in such models leads to very challenging non-linear mixed-effects models. To avoid the numerical computation of multiple integrals involved in the likelihood, we propose a hierarchical likelihood (h-likelihood) approach, treated in the spirit of a penalized likelihood. We give the asymptotic distribution of the maximum h-likelihood estimators (MHLE) for fixed effects, a result that may be relevant in a more general setting. The MHLE are slightly biased but the bias can be made negligible by using a parametric bootstrap procedure. We propose an efficient algorithm for maximizing the h-likelihood. A simulation study, based on a classical HIV dynamical model, confirms the good properties of the MHLE. We apply it to the analysis of a clinical trial.

  15. [A medical image semantic modeling based on hierarchical Bayesian networks].

    Science.gov (United States)

    Lin, Chunyi; Ma, Lihong; Yin, Junxun; Chen, Jianyu

    2009-04-01

    A semantic modeling approach for medical image semantic retrieval based on hierarchical Bayesian networks was proposed, in allusion to characters of medical images. It used GMM (Gaussian mixture models) to map low-level image features into object semantics with probabilities, then it captured high-level semantics through fusing these object semantics using a Bayesian network, so that it built a multi-layer medical image semantic model, aiming to enable automatic image annotation and semantic retrieval by using various keywords at different semantic levels. As for the validity of this method, we have built a multi-level semantic model from a small set of astrocytoma MRI (magnetic resonance imaging) samples, in order to extract semantics of astrocytoma in malignant degree. Experiment results show that this is a superior approach.

  16. Item Response Theory Using Hierarchical Generalized Linear Models

    Directory of Open Access Journals (Sweden)

    Hamdollah Ravand

    2015-03-01

    Full Text Available Multilevel models (MLMs are flexible in that they can be employed to obtain item and person parameters, test for differential item functioning (DIF and capture both local item and person dependence. Papers on the MLM analysis of item response data have focused mostly on theoretical issues where applications have been add-ons to simulation studies with a methodological focus. Although the methodological direction was necessary as a first step to show how MLMs can be utilized and extended to model item response data, the emphasis needs to be shifted towards providing evidence on how applications of MLMs in educational testing can provide the benefits that have been promised. The present study uses foreign language reading comprehension data to illustrate application of hierarchical generalized models to estimate person and item parameters, differential item functioning (DIF, and local person dependence in a three-level model.

  17. A Maximum Entropy Estimator for the Aggregate Hierarchical Logit Model

    Directory of Open Access Journals (Sweden)

    Pedro Donoso

    2011-08-01

    Full Text Available A new approach for estimating the aggregate hierarchical logit model is presented. Though usually derived from random utility theory assuming correlated stochastic errors, the model can also be derived as a solution to a maximum entropy problem. Under the latter approach, the Lagrange multipliers of the optimization problem can be understood as parameter estimators of the model. Based on theoretical analysis and Monte Carlo simulations of a transportation demand model, it is demonstrated that the maximum entropy estimators have statistical properties that are superior to classical maximum likelihood estimators, particularly for small or medium-size samples. The simulations also generated reduced bias in the estimates of the subjective value of time and consumer surplus.

  18. Multiscale Modeling of Damage Processes in fcc Aluminum: From Atoms to Grains

    Science.gov (United States)

    Glaessgen, E. H.; Saether, E.; Yamakov, V.

    2008-01-01

    Molecular dynamics (MD) methods are opening new opportunities for simulating the fundamental processes of material behavior at the atomistic level. However, current analysis is limited to small domains and increasing the size of the MD domain quickly presents intractable computational demands. A preferred approach to surmount this computational limitation has been to combine continuum mechanics-based modeling procedures, such as the finite element method (FEM), with MD analyses thereby reducing the region of atomic scale refinement. Such multiscale modeling strategies can be divided into two broad classifications: concurrent multiscale methods that directly incorporate an atomistic domain within a continuum domain and sequential multiscale methods that extract an averaged response from the atomistic simulation for later use as a constitutive model in a continuum analysis.

  19. A hierarchical model of the evolution of human brain specializations.

    Science.gov (United States)

    Barrett, H Clark

    2012-06-26

    The study of information-processing adaptations in the brain is controversial, in part because of disputes about the form such adaptations might take. Many psychologists assume that adaptations come in two kinds, specialized and general-purpose. Specialized mechanisms are typically thought of as innate, domain-specific, and isolated from other brain systems, whereas generalized mechanisms are developmentally plastic, domain-general, and interactive. However, if brain mechanisms evolve through processes of descent with modification, they are likely to be heterogeneous, rather than coming in just two kinds. They are likely to be hierarchically organized, with some design features widely shared across brain systems and others specific to particular processes. Also, they are likely to be largely developmentally plastic and interactive with other brain systems, rather than canalized and isolated. This article presents a hierarchical model of brain specialization, reviewing evidence for the model from evolutionary developmental biology, genetics, brain mapping, and comparative studies. Implications for the search for uniquely human traits are discussed, along with ways in which conventional views of modularity in psychology may need to be revised.

  20. Study of hierarchical federation architecture using multi-resolution modeling

    Institute of Scientific and Technical Information of China (English)

    HAO Yan-ling; SHEN Dong-hui; QIAN Hua-ming; DENG Ming-hui

    2004-01-01

    This paper aims at finding a solution to the problem aroused in complex system simulation, where a specific functional federation is coupled with other simulation systems. In other words, the communication information within the system may be received by other federates that participated in this united simulation. For the purpose of ensuring simulation system unitary character, a hierarchical federation architecture (HFA) is taken. Also considering the real situation, where federates in a complicated simulation system can be made simpler to an extent, a multi-resolution modeling (MRM) method is imported to implement the design of hierarchical federation. By utilizing the multiple resolution entity (MRE) modeling approach, MRE for federates are designed out. When different level training simulation is required, the appropriate MRE at corresponding layers can be called. The design method realizes the reuse feature of the simulation system and reduces simulation complexity and improves the validity of system Simulation Cost (SC). Taking submarine voyage training simulator (SVTS) for instance, a HFA for submarine is constructed inthis paper, which approves the feasibility of studied approach.

  1. A stochastic model for detecting overlapping and hierarchical community structure.

    Directory of Open Access Journals (Sweden)

    Xiaochun Cao

    Full Text Available Community detection is a fundamental problem in the analysis of complex networks. Recently, many researchers have concentrated on the detection of overlapping communities, where a vertex may belong to more than one community. However, most current methods require the number (or the size of the communities as a priori information, which is usually unavailable in real-world networks. Thus, a practical algorithm should not only find the overlapping community structure, but also automatically determine the number of communities. Furthermore, it is preferable if this method is able to reveal the hierarchical structure of networks as well. In this work, we firstly propose a generative model that employs a nonnegative matrix factorization (NMF formulization with a l(2,1 norm regularization term, balanced by a resolution parameter. The NMF has the nature that provides overlapping community structure by assigning soft membership variables to each vertex; the l(2,1 regularization term is a technique of group sparsity which can automatically determine the number of communities by penalizing too many nonempty communities; and hence the resolution parameter enables us to explore the hierarchical structure of networks. Thereafter, we derive the multiplicative update rule to learn the model parameters, and offer the proof of its correctness. Finally, we test our approach on a variety of synthetic and real-world networks, and compare it with some state-of-the-art algorithms. The results validate the superior performance of our new method.

  2. The Hierarchical Dirichlet Process Hidden Semi-Markov Model

    CERN Document Server

    Johnson, Matthew J

    2012-01-01

    There is much interest in the Hierarchical Dirichlet Process Hidden Markov Model (HDP-HMM) as a natural Bayesian nonparametric extension of the traditional HMM. However, in many settings the HDP-HMM's strict Markovian constraints are undesirable, particularly if we wish to learn or encode non-geometric state durations. We can extend the HDP-HMM to capture such structure by drawing upon explicit-duration semi- Markovianity, which has been developed in the parametric setting to allow construction of highly interpretable models that admit natural prior information on state durations. In this paper we introduce the explicitduration HDP-HSMM and develop posterior sampling algorithms for efficient inference in both the direct-assignment and weak-limit approximation settings. We demonstrate the utility of the model and our inference methods on synthetic data as well as experiments on a speaker diarization problem and an example of learning the patterns in Morse code.

  3. Learning Hierarchical User Interest Models from Web Pages

    Institute of Scientific and Technical Information of China (English)

    2006-01-01

    We propose an algorithm for learning hierarchical user interest models according to the Web pages users have browsed. In this algorithm, the interests of a user are represented into a tree which is called a user interest tree, the content and the structure of which can change simultaneously to adapt to the changes in a user's interests. This expression represents a user's specific and general interests as a continuum. In some sense, specific interests correspond to short-term interests, while general interests correspond to long-term interests. So this representation more really reflects the users' interests. The algorithm can automatically model a user's multiple interest domains, dynamically generate the interest models and prune a user interest tree when the number of the nodes in it exceeds given value. Finally, we show the experiment results in a Chinese Web Site.

  4. Multi-mode clustering model for hierarchical wireless sensor networks

    Science.gov (United States)

    Hu, Xiangdong; Li, Yongfu; Xu, Huifen

    2017-03-01

    The topology management, i.e., clusters maintenance, of wireless sensor networks (WSNs) is still a challenge due to its numerous nodes, diverse application scenarios and limited resources as well as complex dynamics. To address this issue, a multi-mode clustering model (M2 CM) is proposed to maintain the clusters for hierarchical WSNs in this study. In particular, unlike the traditional time-trigger model based on the whole-network and periodic style, the M2 CM is proposed based on the local and event-trigger operations. In addition, an adaptive local maintenance algorithm is designed for the broken clusters in the WSNs using the spatial-temporal demand changes accordingly. Numerical experiments are performed using the NS2 network simulation platform. Results validate the effectiveness of the proposed model with respect to the network maintenance costs, node energy consumption and transmitted data as well as the network lifetime.

  5. Multiscale multiphysics and multidomain models--flexibility and rigidity.

    Science.gov (United States)

    Xia, Kelin; Opron, Kristopher; Wei, Guo-Wei

    2013-11-21

    The emerging complexity of large macromolecules has led to challenges in their full scale theoretical description and computer simulation. Multiscale multiphysics and multidomain models have been introduced to reduce the number of degrees of freedom while maintaining modeling accuracy and achieving computational efficiency. A total energy functional is constructed to put energies for polar and nonpolar solvation, chemical potential, fluid flow, molecular mechanics, and elastic dynamics on an equal footing. The variational principle is utilized to derive coupled governing equations for the above mentioned multiphysical descriptions. Among these governing equations is the Poisson-Boltzmann equation which describes continuum electrostatics with atomic charges. The present work introduces the theory of continuum elasticity with atomic rigidity (CEWAR). The essence of CEWAR is to formulate the shear modulus as a continuous function of atomic rigidity. As a result, the dynamics complexity of a macromolecular system is separated from its static complexity so that the more time-consuming dynamics is handled with continuum elasticity theory, while the less time-consuming static analysis is pursued with atomic approaches. We propose a simple method, flexibility-rigidity index (FRI), to analyze macromolecular flexibility and rigidity in atomic detail. The construction of FRI relies on the fundamental assumption that protein functions, such as flexibility, rigidity, and energy, are entirely determined by the structure of the protein and its environment, although the structure is in turn determined by all the interactions. As such, the FRI measures the topological connectivity of protein atoms or residues and characterizes the geometric compactness of the protein structure. As a consequence, the FRI does not resort to the interaction Hamiltonian and bypasses matrix diagonalization, which underpins most other flexibility analysis methods. FRI's computational complexity is of O

  6. Towards Personalized Cardiology: Multi-Scale Modeling of the Failing Heart

    Science.gov (United States)

    Amr, Ali; Neumann, Dominik; Georgescu, Bogdan; Seegerer, Philipp; Kamen, Ali; Haas, Jan; Frese, Karen S.; Irawati, Maria; Wirsz, Emil; King, Vanessa; Buss, Sebastian; Mereles, Derliz; Zitron, Edgar; Keller, Andreas; Katus, Hugo A.; Comaniciu, Dorin; Meder, Benjamin

    2015-01-01

    Background Despite modern pharmacotherapy and advanced implantable cardiac devices, overall prognosis and quality of life of HF patients remain poor. This is in part due to insufficient patient stratification and lack of individualized therapy planning, resulting in less effective treatments and a significant number of non-responders. Methods and Results State-of-the-art clinical phenotyping was acquired, including magnetic resonance imaging (MRI) and biomarker assessment. An individualized, multi-scale model of heart function covering cardiac anatomy, electrophysiology, biomechanics and hemodynamics was estimated using a robust framework. The model was computed on n=46 HF patients, showing for the first time that advanced multi-scale models can be fitted consistently on large cohorts. Novel multi-scale parameters derived from the model of all cases were analyzed and compared against clinical parameters, cardiac imaging, lab tests and survival scores to evaluate the explicative power of the model and its potential for better patient stratification. Model validation was pursued by comparing clinical parameters that were not used in the fitting process against model parameters. Conclusion This paper illustrates how advanced multi-scale models can complement cardiovascular imaging and how they could be applied in patient care. Based on obtained results, it becomes conceivable that, after thorough validation, such heart failure models could be applied for patient management and therapy planning in the future, as we illustrate in one patient of our cohort who received CRT-D implantation. PMID:26230546

  7. A Multiscale Approach for Modeling Oxygen Production by Adsorption

    Directory of Open Access Journals (Sweden)

    Pavone D.

    2013-10-01

    are then the adsorbed oxygen concentration Cc2 (t, x, rp, re. The crystallites are so small that they are assumed to have a uniform temperature. This leads to a third transient model that is 3D for the crystallite and is linked to the 2D transient model for the pellets which is itself linked to the 1D transient models for the bulk. From the larger to the lower scales, the links between the three models are the following: the bulk concentration and temperature give the boundary conditions surrounding the pellets. The pellet concentration gives the boundary conditions for the crystallites. We chose to solve this multiscale approach that requires the coupling of models of different dimensions in Comsol Multiphysics. The simulator was built to gain knowledge from laboratory experiments in order to estimate whether oxygen separation from air is realistic or not.

  8. Multiscale Modeling of Structurally-Graded Materials Using Discrete Dislocation Plasticity Models and Continuum Crystal Plasticity Models

    Science.gov (United States)

    Saether, Erik; Hochhalter, Jacob D.; Glaessgen, Edward H.

    2012-01-01

    A multiscale modeling methodology that combines the predictive capability of discrete dislocation plasticity and the computational efficiency of continuum crystal plasticity is developed. Single crystal configurations of different grain sizes modeled with periodic boundary conditions are analyzed using discrete dislocation plasticity (DD) to obtain grain size-dependent stress-strain predictions. These relationships are mapped into crystal plasticity parameters to develop a multiscale DD/CP model for continuum level simulations. A polycrystal model of a structurally-graded microstructure is developed, analyzed and used as a benchmark for comparison between the multiscale DD/CP model and the DD predictions. The multiscale DD/CP model follows the DD predictions closely up to an initial peak stress and then follows a strain hardening path that is parallel but somewhat offset from the DD predictions. The difference is believed to be from a combination of the strain rate in the DD simulation and the inability of the DD/CP model to represent non-monotonic material response.

  9. A multiphysics and multiscale software environment for modeling astrophysical systems

    CERN Document Server

    Zwart, Simon Portegies; Harfst, Stefan; Groen, Derek; Fujii, Michiko

    2008-01-01

    We present MUSE, a software framework for combining existing computational tools for different astrophysical domains into a single multiphysics, multiscale application. MUSE facilitates the coupling of existing codes written in different languages by providing inter-language tools and by specifying an interface between each module and the framework that represents a balance between generality and computational efficiency. This approach allows scientists to use combinations of codes to solve highly-coupled problems without the need to write new codes for other domains or significantly alter their existing codes. MUSE currently incorporates the domains of stellar dynamics, stellar evolution and stellar hydrodynamics for studying generalized stellar systems. We have now reached a ``Noah's Ark'' milestone, with (at least) two available numerical solvers for each domain. MUSE can treat multi-scale and multi-physics systems in which the time- and size-scales are well separated, like simulating the evolution of plan...

  10. Incremental Testing of the Community Multiscale Air Quality (CMAQ) Modeling System Version 4.7

    Science.gov (United States)

    This paper describes the scientific and structural updates to the latest release of the Community Multiscale Air Quality (CMAQ) modeling system version 4.7 (v4.7) and points the reader to additional resources for further details. The model updates were evaluated relative to obse...

  11. A Multi-Scale Energy Demand Model suggests sharing Market Risks with Intelligent Energy Cooperatives

    NARCIS (Netherlands)

    Methenitis, G.; Kaisers, M.; La Poutré, J.A.

    2015-01-01

    In this paper, we propose a multi-scale model of energy demand that is consistent with observations at a macro scale, in our use-case standard load profiles for (residential) electric loads. We employ the model to study incentives to assume the risk of volatile market prices for intelligent energy c

  12. Multi-Scale Gaussian Processes: a Novel Model for Chaotic Time Series Prediction

    Institute of Scientific and Technical Information of China (English)

    ZHOU Ya-Tong; ZHANG Tai-Yi; SUN Jian-Cheng

    2007-01-01

    @@ Based on the classical Gaussian process (GP) model, we propose a multi-scale Gaussian process (MGP) model to predict the existence of chaotic time series. The MGP employs a covariance function that is constructed by a scaling function with its different dilations and translations, ensuring that the optimal hyperparameter is easy to determine.

  13. Modeling evolutionary dynamics of epigenetic mutations in hierarchically organized tumors.

    Directory of Open Access Journals (Sweden)

    Andrea Sottoriva

    2011-05-01

    Full Text Available The cancer stem cell (CSC concept is a highly debated topic in cancer research. While experimental evidence in favor of the cancer stem cell theory is apparently abundant, the results are often criticized as being difficult to interpret. An important reason for this is that most experimental data that support this model rely on transplantation studies. In this study we use a novel cellular Potts model to elucidate the dynamics of established malignancies that are driven by a small subset of CSCs. Our results demonstrate that epigenetic mutations that occur during mitosis display highly altered dynamics in CSC-driven malignancies compared to a classical, non-hierarchical model of growth. In particular, the heterogeneity observed in CSC-driven tumors is considerably higher. We speculate that this feature could be used in combination with epigenetic (methylation sequencing studies of human malignancies to prove or refute the CSC hypothesis in established tumors without the need for transplantation. Moreover our tumor growth simulations indicate that CSC-driven tumors display evolutionary features that can be considered beneficial during tumor progression. Besides an increased heterogeneity they also exhibit properties that allow the escape of clones from local fitness peaks. This leads to more aggressive phenotypes in the long run and makes the neoplasm more adaptable to stringent selective forces such as cancer treatment. Indeed when therapy is applied the clone landscape of the regrown tumor is more aggressive with respect to the primary tumor, whereas the classical model demonstrated similar patterns before and after therapy. Understanding these often counter-intuitive fundamental properties of (non-hierarchically organized malignancies is a crucial step in validating the CSC concept as well as providing insight into the therapeutical consequences of this model.

  14. Advanced computational workflow for the multi-scale modeling of the bone metabolic processes.

    Science.gov (United States)

    Dao, Tien Tuan

    2017-06-01

    Multi-scale modeling of the musculoskeletal system plays an essential role in the deep understanding of complex mechanisms underlying the biological phenomena and processes such as bone metabolic processes. Current multi-scale models suffer from the isolation of sub-models at each anatomical scale. The objective of this present work was to develop a new fully integrated computational workflow for simulating bone metabolic processes at multi-scale levels. Organ-level model employs multi-body dynamics to estimate body boundary and loading conditions from body kinematics. Tissue-level model uses finite element method to estimate the tissue deformation and mechanical loading under body loading conditions. Finally, cell-level model includes bone remodeling mechanism through an agent-based simulation under tissue loading. A case study on the bone remodeling process located on the human jaw was performed and presented. The developed multi-scale model of the human jaw was validated using the literature-based data at each anatomical level. Simulation outcomes fall within the literature-based ranges of values for estimated muscle force, tissue loading and cell dynamics during bone remodeling process. This study opens perspectives for accurately simulating bone metabolic processes using a fully integrated computational workflow leading to a better understanding of the musculoskeletal system function from multiple length scales as well as to provide new informative data for clinical decision support and industrial applications.

  15. Research and application of hierarchical model for multiple fault diagnosis

    Institute of Scientific and Technical Information of China (English)

    An Ruoming; Jiang Xingwei; Song Zhengji

    2005-01-01

    Computational complexity of complex system multiple fault diagnosis is a puzzle at all times. Based on the well-known Mozetic's approach, a novel hierarchical model-based diagnosis methodology is put forward for improving efficiency of multi-fault recognition and localization. Structural abstraction and weighted fault propagation graphs are combined to build diagnosis model. The graphs have weighted arcs with fault propagation probabilities and propagation strength. For solving the problem of coupled faults, two diagnosis strategies are used: one is the Lagrangian relaxation and the primal heuristic algorithms; another is the method of propagation strength. Finally, an applied example shows the applicability of the approach and experimental results are given to show the superiority of the presented technique.

  16. Hierarchical population model with a carrying capacity distribution

    CERN Document Server

    Indekeu, J O

    2002-01-01

    A time- and space-discrete model for the growth of a rapidly saturating local biological population $N(x,t)$ is derived from a hierarchical random deposition process previously studied in statistical physics. Two biologically relevant parameters, the probabilities of birth, $B$, and of death, $D$, determine the carrying capacity $K$. Due to the randomness the population depends strongly on position, $x$, and there is a distribution of carrying capacities, $\\Pi (K)$. This distribution has self-similar character owing to the imposed hierarchy. The most probable carrying capacity and its probability are studied as a function of $B$ and $D$. The effective growth rate decreases with time, roughly as in a Verhulst process. The model is possibly applicable, for example, to bacteria forming a "towering pillar" biofilm. The bacteria divide on randomly distributed nutrient-rich regions and are exposed to random local bactericidal agent (antibiotic spray). A gradual overall temperature change away from optimal growth co...

  17. Hierarchical decision modeling essays in honor of Dundar F. Kocaoglu

    CERN Document Server

    2016-01-01

    This volume, developed in honor of Dr. Dundar F. Kocaoglu, aims to demonstrate the applications of the Hierarchical Decision Model (HDM) in different sectors and its capacity in decision analysis. It is comprised of essays from noted scholars, academics and researchers of engineering and technology management around the world. This book is organized into four parts: Technology Assessment, Strategic Planning, National Technology Planning and Decision Making Tools. Dr. Dundar F. Kocaoglu is one of the pioneers of multiple decision models using hierarchies, and creator of the HDM in decision analysis. HDM is a mission-oriented method for evaluation and/or selection among alternatives. A wide range of alternatives can be considered, including but not limited to, different technologies, projects, markets, jobs, products, cities to live in, houses to buy, apartments to rent, and schools to attend. Dr. Kocaoglu’s approach has been adopted for decision problems in many industrial sectors, including electronics rese...

  18. Bayesian hierarchical modelling of weak lensing - the golden goal

    CERN Document Server

    Heavens, Alan; Jaffe, Andrew; Hoffmann, Till; Kiessling, Alina; Wandelt, Benjamin

    2016-01-01

    To accomplish correct Bayesian inference from weak lensing shear data requires a complete statistical description of the data. The natural framework to do this is a Bayesian Hierarchical Model, which divides the chain of reasoning into component steps. Starting with a catalogue of shear estimates in tomographic bins, we build a model that allows us to sample simultaneously from the the underlying tomographic shear fields and the relevant power spectra (E-mode, B-mode, and E-B, for auto- and cross-power spectra). The procedure deals easily with masked data and intrinsic alignments. Using Gibbs sampling and messenger fields, we show with simulated data that the large (over 67000-)dimensional parameter space can be efficiently sampled and the full joint posterior probability density function for the parameters can feasibly be obtained. The method correctly recovers the underlying shear fields and all of the power spectra, including at levels well below the shot noise.

  19. Towards distributed multiscale computing for the VPH

    NARCIS (Netherlands)

    Hoekstra, A.G.; Coveney, P.

    2010-01-01

    Multiscale modeling is fundamental to the Virtual Physiological Human (VPH) initiative. Most detailed three-dimensional multiscale models lead to prohibitive computational demands. As a possible solution we present MAPPER, a computational science infrastructure for Distributed Multiscale Computing o

  20. Modeling Framework for Fracture in Multiscale Cement-Based Material Structures

    Science.gov (United States)

    Qian, Zhiwei; Schlangen, Erik; Ye, Guang; van Breugel, Klaas

    2017-01-01

    Multiscale modeling for cement-based materials, such as concrete, is a relatively young subject, but there are already a number of different approaches to study different aspects of these classical materials. In this paper, the parameter-passing multiscale modeling scheme is established and applied to address the multiscale modeling problem for the integrated system of cement paste, mortar, and concrete. The block-by-block technique is employed to solve the length scale overlap challenge between the mortar level (0.1–10 mm) and the concrete level (1–40 mm). The microstructures of cement paste are simulated by the HYMOSTRUC3D model, and the material structures of mortar and concrete are simulated by the Anm material model. Afterwards the 3D lattice fracture model is used to evaluate their mechanical performance by simulating a uniaxial tensile test. The simulated output properties at a lower scale are passed to the next higher scale to serve as input local properties. A three-level multiscale lattice fracture analysis is demonstrated, including cement paste at the micrometer scale, mortar at the millimeter scale, and concrete at centimeter scale. PMID:28772948

  1. Performance of hybrid programming models for multiscale cardiac simulations: preparing for petascale computation.

    Science.gov (United States)

    Pope, Bernard J; Fitch, Blake G; Pitman, Michael C; Rice, John J; Reumann, Matthias

    2011-10-01

    Future multiscale and multiphysics models that support research into human disease, translational medical science, and treatment can utilize the power of high-performance computing (HPC) systems. We anticipate that computationally efficient multiscale models will require the use of sophisticated hybrid programming models, mixing distributed message-passing processes [e.g., the message-passing interface (MPI)] with multithreading (e.g., OpenMP, Pthreads). The objective of this study is to compare the performance of such hybrid programming models when applied to the simulation of a realistic physiological multiscale model of the heart. Our results show that the hybrid models perform favorably when compared to an implementation using only the MPI and, furthermore, that OpenMP in combination with the MPI provides a satisfactory compromise between performance and code complexity. Having the ability to use threads within MPI processes enables the sophisticated use of all processor cores for both computation and communication phases. Considering that HPC systems in 2012 will have two orders of magnitude more cores than what was used in this study, we believe that faster than real-time multiscale cardiac simulations can be achieved on these systems.

  2. The application of multiscale modelling to the process of development and prevention of stenosis in a stented coronary artery

    NARCIS (Netherlands)

    Evans, D.J.W.; Lawford, P.V.; Gunn, J.; Walker, D.; Hose, D.R.; Smallwood, R.H.; Chopard, B.; Krafczyk, M.; Bernsdorf, J.; Hoekstra, A.

    2008-01-01

    The inherent complexity of biomedical systems is well recognized; they are multiscale, multiscience systems, bridging a wide range of temporal and spatial scales. While the importance of multiscale modelling in this context is increasingly recognized, there is little underpinning literature on the m

  3. Regulator Loss Functions and Hierarchical Modeling for Safety Decision Making.

    Science.gov (United States)

    Hatfield, Laura A; Baugh, Christine M; Azzone, Vanessa; Normand, Sharon-Lise T

    2017-07-01

    Regulators must act to protect the public when evidence indicates safety problems with medical devices. This requires complex tradeoffs among risks and benefits, which conventional safety surveillance methods do not incorporate. To combine explicit regulator loss functions with statistical evidence on medical device safety signals to improve decision making. In the Hospital Cost and Utilization Project National Inpatient Sample, we select pediatric inpatient admissions and identify adverse medical device events (AMDEs). We fit hierarchical Bayesian models to the annual hospital-level AMDE rates, accounting for patient and hospital characteristics. These models produce expected AMDE rates (a safety target), against which we compare the observed rates in a test year to compute a safety signal. We specify a set of loss functions that quantify the costs and benefits of each action as a function of the safety signal. We integrate the loss functions over the posterior distribution of the safety signal to obtain the posterior (Bayes) risk; the preferred action has the smallest Bayes risk. Using simulation and an analysis of AMDE data, we compare our minimum-risk decisions to a conventional Z score approach for classifying safety signals. The 2 rules produced different actions for nearly half of hospitals (45%). In the simulation, decisions that minimize Bayes risk outperform Z score-based decisions, even when the loss functions or hierarchical models are misspecified. Our method is sensitive to the choice of loss functions; eliciting quantitative inputs to the loss functions from regulators is challenging. A decision-theoretic approach to acting on safety signals is potentially promising but requires careful specification of loss functions in consultation with subject matter experts.

  4. A Stochastic Multiscale Model for Microstructure Model Reduction

    Science.gov (United States)

    2011-12-19

    methods. In [4, 5] the principle of maximum entropy ( MaxEnt ) was used to describe the microstructure topology of binary and polycrystalline materials. A...such MaxEnt distribution and interrogated using appropriate physical model, e.g. a crystal plasticity finite element method (CPFEM) [6] for polycrystals

  5. Adaptive Sampling in Hierarchical Simulation

    Energy Technology Data Exchange (ETDEWEB)

    Knap, J; Barton, N R; Hornung, R D; Arsenlis, A; Becker, R; Jefferson, D R

    2007-07-09

    We propose an adaptive sampling methodology for hierarchical multi-scale simulation. The method utilizes a moving kriging interpolation to significantly reduce the number of evaluations of finer-scale response functions to provide essential constitutive information to a coarser-scale simulation model. The underlying interpolation scheme is unstructured and adaptive to handle the transient nature of a simulation. To handle the dynamic construction and searching of a potentially large set of finer-scale response data, we employ a dynamic metric tree database. We study the performance of our adaptive sampling methodology for a two-level multi-scale model involving a coarse-scale finite element simulation and a finer-scale crystal plasticity based constitutive law.

  6. Analysis of the spatial and dynamical properties of a multiscale model of intestinal crypts

    Directory of Open Access Journals (Sweden)

    Marco Antoniotti

    2013-09-01

    Full Text Available The preliminary analyses on a multiscale model of intestinal crypt dynamics are here presented. The model combines a morphological model, based on the Cellular Potts Model (CPM, and a gene regulatory network model, based on Noisy Random Boolean Networks (NRBNs. Simulations suggest that the stochastic differentiation process is itself sufficient to ensure the general homeostasis in the asymptotic states, as proven by several measures.

  7. Note on the equivalence of hierarchical variational models and auxiliary deep generative models

    OpenAIRE

    Brümmer, Niko

    2016-01-01

    This note compares two recently published machine learning methods for constructing flexible, but tractable families of variational hidden-variable posteriors. The first method, called "hierarchical variational models" enriches the inference model with an extra variable, while the other, called "auxiliary deep generative models", enriches the generative model instead. We conclude that the two methods are mathematically equivalent.

  8. A Bridging Cell Multiscale Methodology to Model the Structural Behaviour of Polymer Matrix Composites

    Science.gov (United States)

    Iacobellis, Vincent

    Composite and nanocomposite materials exhibit behaviour which is inherently multiscale, extending from the atomistic to continuum levels. In composites, damage growth tends to occur at the nano and microstructural scale by means of crack growth and fibre-matrix debonding. Concurrent multiscale modeling provides a means of efficiently solving such localized phenomena, however its use in this application has been limited due to a number of existing issues in the multiscale field. These include the seamless transfer of information between continuum and atomistic domains, the small timesteps required for dynamic simulation, and limited research into concurrent multiscale modeling of amorphous polymeric materials. The objective of this thesis is thus twofold: to formulate a generalized approach to solving a coupled atomistic-to-continuum system that addresses these issues and to extend the application space of concurrent multiscale modeling to damage modeling in composite microstructures. To achieve these objectives, a finite element based multiscale technique termed the Bridging Cell Method (BCM), has been formulated with a focus on crystalline material systems. Case studies are then presented that show the effectiveness of the developed technique with respect to full atomistic simulations. The BCM is also demonstrated for applications of stress around a nanovoid, nanoindentation, and crack growth due to monotonic and cyclic loading. Next, the BCM is extended to modeling amorphous polymeric material systems where an adaptive solver and a two-step iterative solution algorithm are introduced. Finally, the amorphous and crystalline BCM is applied to modeling a polymer-graphite interface. This interface model is used to obtain cohesive zone parameters which are used in a cohesive zone model of fibre-matrix interfacial cracking in a composite microstructure. This allows for an investigation of the temperature dependent damage mechanics from the nano to microscale within

  9. A new class of finite element variational multiscale turbulence models for incompressible magnetohydrodynamics

    CERN Document Server

    Sondak, David; Oberai, Assad A; Pawlowski, Roger P; Cyr, Eric C; Smith, Tom M

    2014-01-01

    New large eddy simulation (LES) turbulence models for incompressible magnetohydrodynamics (MHD) derived from the variational multiscale (VMS) formulation for finite element simulations are introduced. The new models include the variational multiscale formulation, a residual-based eddy viscosity model, and a mixed model that combines both of these component models. Each model contains terms that are proportional to the residual of the incompressible MHD equations and is therefore numerically consistent. Moreover, each model is also dynamic, in that its effect vanishes when this residual is small. The new models are tested on the decaying MHD Taylor Green vortex at low and high Reynolds numbers. The evaluation of the models is based on comparisons with available data from direct numerical simulations (DNS) of the time evolution of energies as well as energy spectra at various discrete times. A numerical study, on a sequence of meshes, is presented that demonstrates that the large eddy simulation approaches the ...

  10. Improve Query Performance On Hierarchical Data. Adjacency List Model Vs. Nested Set Model

    Directory of Open Access Journals (Sweden)

    Cornelia Gyorödi

    2016-04-01

    Full Text Available Hierarchical data are found in a variety of database applications, including content management categories, forums, business organization charts, and product categories. In this paper, we will examine two models deal with hierarchical data in relational databases namely, adjacency list model and nested set model. We analysed these models by executing various operations and queries in a web-application for the management of categories, thus highlighting the results obtained during performance comparison tests. The purpose of this paper is to present the advantages and disadvantages of using an adjacency list model compared to nested set model in a relational database integrated into an application for the management of categories, which needs to manipulate a big amount of hierarchical data.

  11. GSMNet: A Hierarchical Graph Model for Moving Objects in Networks

    Directory of Open Access Journals (Sweden)

    Hengcai Zhang

    2017-03-01

    Full Text Available Existing data models for moving objects in networks are often limited by flexibly controlling the granularity of representing networks and the cost of location updates and do not encompass semantic information, such as traffic states, traffic restrictions and social relationships. In this paper, we aim to fill the gap of traditional network-constrained models and propose a hierarchical graph model called the Geo-Social-Moving model for moving objects in Networks (GSMNet that adopts four graph structures, RouteGraph, SegmentGraph, ObjectGraph and MoveGraph, to represent the underlying networks, trajectories and semantic information in an integrated manner. The bulk of user-defined data types and corresponding operators is proposed to handle moving objects and answer a new class of queries supporting three kinds of conditions: spatial, temporal and semantic information. Then, we develop a prototype system with the native graph database system Neo4Jto implement the proposed GSMNet model. In the experiment, we conduct the performance evaluation using simulated trajectories generated from the BerlinMOD (Berlin Moving Objects Database benchmark and compare with the mature MOD system Secondo. The results of 17 benchmark queries demonstrate that our proposed GSMNet model has strong potential to reduce time-consuming table join operations an d shows remarkable advantages with regard to representing semantic information and controlling the cost of location updates.

  12. A Bayesian hierarchical model for wind gust prediction

    Science.gov (United States)

    Friederichs, Petra; Oesting, Marco; Schlather, Martin

    2014-05-01

    A postprocessing method for ensemble wind gust forecasts given by a mesoscale limited area numerical weather prediction (NWP) model is presented, which is based on extreme value theory. A process layer for the parameters of a generalized extreme value distribution (GEV) is introduced using a Bayesian hierarchical model (BHM). Incorporating the information of the COMSO-DE forecasts, the process parameters model the spatial response surfaces of the GEV parameters as Gaussian random fields. The spatial BHM provides area wide forecasts of wind gusts in terms of a conditional GEV. It models the marginal distribution of the spatial gust process and provides not only forecasts of the conditional GEV at locations without observations, but also uncertainty information about the estimates. A disadvantages of BHM model is that it assumes conditional independent observations. In order to incorporate the dependence between gusts at neighboring locations as well as the spatial random fields of observed and forecasted maximal wind gusts, we propose to model them jointly by a bivariate Brown-Resnick process.

  13. Industrial process system assessment: bridging process engineering and life cycle assessment through multiscale modeling.

    Science.gov (United States)

    The Industrial Process System Assessment (IPSA) methodology is a multiple step allocation approach for connecting information from the production line level up to the facility level and vice versa using a multiscale model of process systems. The allocation procedure assigns inpu...

  14. Multiscale Modeling for Linking Growth, Microstructure, and Properties of Inorganic Microporous Films

    Science.gov (United States)

    Vlachos, Dion G.

    2002-01-01

    The focus of this presentation is on multiscale modeling in order to link processing, microstructure, and properties of materials. Overview of problems we study includes: Growth mechanisms in chemical and physical vapor epitaxy; thin films of zeolites for separation and sensing; thin Pd films for hydrogen separation and pattern formation by self-regulation routes.

  15. Updating sea spray aerosol emissions in the Community Multiscale Air Quality (CMAQ) model

    Science.gov (United States)

    Sea spray aerosols (SSA) impact the particle mass concentration and gas-particle partitioning in coastal environments, with implications for human and ecosystem health. In this study, the Community Multiscale Air Quality (CMAQ) model is updated to enhance fine mode SSA emissions,...

  16. Reducing the computational requirements for simulating tunnel fires by combining multiscale modelling and multiple processor calculation

    DEFF Research Database (Denmark)

    Vermesi, Izabella; Rein, Guillermo; Colella, Francesco

    2017-01-01

    directly. The feasibility analysis showed a difference of only 2% in temperature results from the published reference work that was performed with Ansys Fluent (Colella et al., 2010). The reduction in simulation time was significantly larger when using multiscale modelling than when performing multiple...

  17. A Multi-scale Friction Model for Sheet Metal Forming Simulations

    NARCIS (Netherlands)

    Hol, J.; Cid Alfaro, M.V.; Meinders, Vincent T.; Huetink, Han; Chang, K; Nam Han, H; Huh, H; Barlat, F; Lee, M

    2011-01-01

    This paper presents a multi-scale friction model for large-scale forming simulations based on the surface changes on the micro-scale. The surface texture of a material changes when it is subjected to normal loading and stretching. Consequently, the frictional behavior between contacting surfaces,

  18. Industrial process system assessment: bridging process engineering and life cycle assessment through multiscale modeling.

    Science.gov (United States)

    The Industrial Process System Assessment (IPSA) methodology is a multiple step allocation approach for connecting information from the production line level up to the facility level and vice versa using a multiscale model of process systems. The allocation procedure assigns inpu...

  19. A Complex Automata approach for in-stent restenosis: two-dimensional multiscale modelling and simulations

    NARCIS (Netherlands)

    Caiazzo, A.; Evans, D.; Falcone, J.-L.; Hegewald, J.; Lorenz, E.; Stahl, B.; Wang, D.; Bernsdorf, J.; Chopard, B.; Gunn, J.; Hose, R.; Krafczyk, M.; Lawford, P.; Smallwood, R.; Walker, D.; Hoekstra, A.

    2011-01-01

    In-stent restenosis, the maladaptive response of a blood vessel to injury caused by the deployment of a stent, is a multiscale system involving a large number of biological and physical processes. We describe a Complex Automata model for in-stent restenosis, coupling bulk flow, drug diffusion, and s

  20. Towards a Complex Automata multiscale model of in-stent restenosis

    NARCIS (Netherlands)

    Caiazzo, A.; Evans, D.; Falcone, J.-L.; Hegewald, J.; Lorenz, E.; Stahl, B.; Wang, D.; Bernsdorf, J.; Chopard, B.; Gunn, J.; Hose, R.; Krafczyk, M.; Lawford, P.; Smallwood, R.; Walker, D.; Hoekstra, A.G.

    2009-01-01

    In-stent restenosis, the maladaptive response of a blood vessel to injury caused by the deployment of a stent, is a multiscale problem involving a large number of processes. We describe a Complex Automata Model for in-stent restenosis, coupling a bulk flow, drug diffusion, and smooth muscle cell mod

  1. Modeling of Multiscale and Multiphase Phenomena in Materials Processing

    Science.gov (United States)

    Ludwig, Andreas; Kharicha, Abdellah; Wu, Menghuai

    2013-03-01

    In order to demonstrate how CFD can help scientists and engineers to better understand the fundamentals of engineering processes, a number of examples are shown and discussed. The paper covers (i) special aspects of continuous casting of steel including turbulence, motion and entrapment of non-metallic inclusions, and impact of soft reduction; (ii) multiple flow phenomena and multiscale aspects during casting of large ingots including flow-induced columnar-to-equiaxed transition and 3D formation of channel segregation; (iii) multiphase magneto-hydrodynamics during electro-slag remelting; and (iv) melt flow and solidification of thin but large centrifugal castings.

  2. Hierarchical modeling and its numerical implementation for layered thin elastic structures

    Energy Technology Data Exchange (ETDEWEB)

    Cho, Jin-Rae [Hongik University, Sejong (Korea, Republic of)

    2017-05-15

    Thin elastic structures such as beam- and plate-like structures and laminates are characterized by the small thickness, which lead to classical plate and laminate theories in which the displacement fields through the thickness are assumed linear or higher-order polynomials. These classical theories are either insufficient to represent the complex stress variation through the thickness or may encounter the accuracy-computational cost dilemma. In order to overcome the inherent problem of classical theories, the concept of hierarchical modeling has been emerged. In the hierarchical modeling, the hierarchical models with different model levels are selected and combined within a structure domain, in order to make the modeling error be distributed as uniformly as possible throughout the problem domain. The purpose of current study is to explore the potential of hierarchical modeling for the effective numerical analysis of layered structures such as laminated composite. For this goal, the hierarchical models are constructed and the hierarchical modeling is implemented by selectively adjusting the level of hierarchical models. As well, the major characteristics of hierarchical models are investigated through the numerical experiments.

  3. Evolutionary optimization of a hierarchical object recognition model.

    Science.gov (United States)

    Schneider, Georg; Wersing, Heiko; Sendhoff, Bernhard; Körner, Edgar

    2005-06-01

    A major problem in designing artificial neural networks is the proper choice of the network architecture. Especially for vision networks classifying three-dimensional (3-D) objects this problem is very challenging, as these networks are necessarily large and therefore the search space for defining the needed networks is of a very high dimensionality. This strongly increases the chances of obtaining only suboptimal structures from standard optimization algorithms. We tackle this problem in two ways. First, we use biologically inspired hierarchical vision models to narrow the space of possible architectures and to reduce the dimensionality of the search space. Second, we employ evolutionary optimization techniques to determine optimal features and nonlinearities of the visual hierarchy. Here, we especially focus on higher order complex features in higher hierarchical stages. We compare two different approaches to perform an evolutionary optimization of these features. In the first setting, we directly code the features into the genome. In the second setting, in analogy to an ontogenetical development process, we suggest the new method of an indirect coding of the features via an unsupervised learning process, which is embedded into the evolutionary optimization. In both cases the processing nonlinearities are encoded directly into the genome and are thus subject to optimization. The fitness of the individuals for the evolutionary selection process is computed by measuring the network classification performance on a benchmark image database. Here, we use a nearest-neighbor classification approach, based on the hierarchical feature output. We compare the found solutions with respect to their ability to generalize. We differentiate between a first- and a second-order generalization. The first-order generalization denotes how well the vision system, after evolutionary optimization of the features and nonlinearities using a database A, can classify previously unseen test

  4. On the unnecessary ubiquity of hierarchical linear modeling.

    Science.gov (United States)

    McNeish, Daniel; Stapleton, Laura M; Silverman, Rebecca D

    2017-03-01

    In psychology and the behavioral sciences generally, the use of the hierarchical linear model (HLM) and its extensions for discrete outcomes are popular methods for modeling clustered data. HLM and its discrete outcome extensions, however, are certainly not the only methods available to model clustered data. Although other methods exist and are widely implemented in other disciplines, it seems that psychologists have yet to consider these methods in substantive studies. This article compares and contrasts HLM with alternative methods including generalized estimating equations and cluster-robust standard errors. These alternative methods do not model random effects and thus make a smaller number of assumptions and are interpreted identically to single-level methods with the benefit that estimates are adjusted to reflect clustering of observations. Situations where these alternative methods may be advantageous are discussed including research questions where random effects are and are not required, when random effects can change the interpretation of regression coefficients, challenges of modeling with random effects with discrete outcomes, and examples of published psychology articles that use HLM that may have benefitted from using alternative methods. Illustrative examples are provided and discussed to demonstrate the advantages of the alternative methods and also when HLM would be the preferred method. (PsycINFO Database Record (c) 2017 APA, all rights reserved).

  5. Hierarchical Model Predictive Control for Plug-and-Play Resource Distribution

    DEFF Research Database (Denmark)

    Bendtsen, Jan Dimon; Trangbæk, K; Stoustrup, Jakob

    2012-01-01

    This chapter deals with hierarchical model predictive control (MPC) of distributed systems. A three level hierarchical approach is proposed, consisting of a high level MPC controller, a second level of so-called aggregators, controlled by an online MPC-like algorithm, and a lower level of autonom......This chapter deals with hierarchical model predictive control (MPC) of distributed systems. A three level hierarchical approach is proposed, consisting of a high level MPC controller, a second level of so-called aggregators, controlled by an online MPC-like algorithm, and a lower level...

  6. A Bayesian hierarchical model for accident and injury surveillance.

    Science.gov (United States)

    MacNab, Ying C

    2003-01-01

    This article presents a recent study which applies Bayesian hierarchical methodology to model and analyse accident and injury surveillance data. A hierarchical Poisson random effects spatio-temporal model is introduced and an analysis of inter-regional variations and regional trends in hospitalisations due to motor vehicle accident injuries to boys aged 0-24 in the province of British Columbia, Canada, is presented. The objective of this article is to illustrate how the modelling technique can be implemented as part of an accident and injury surveillance and prevention system where transportation and/or health authorities may routinely examine accidents, injuries, and hospitalisations to target high-risk regions for prevention programs, to evaluate prevention strategies, and to assist in health planning and resource allocation. The innovation of the methodology is its ability to uncover and highlight important underlying structure of the data. Between 1987 and 1996, British Columbia hospital separation registry registered 10,599 motor vehicle traffic injury related hospitalisations among boys aged 0-24 who resided in British Columbia, of which majority (89%) of the injuries occurred to boys aged 15-24. The injuries were aggregated by three age groups (0-4, 5-14, and 15-24), 20 health regions (based of place-of-residence), and 10 calendar years (1987 to 1996) and the corresponding mid-year population estimates were used as 'at risk' population. An empirical Bayes inference technique using penalised quasi-likelihood estimation was implemented to model both rates and counts, with spline smoothing accommodating non-linear temporal effects. The results show that (a) crude rates and ratios at health region level are unstable, (b) the models with spline smoothing enable us to explore possible shapes of injury trends at both the provincial level and the regional level, and (c) the fitted models provide a wealth of information about the patterns (both over space and time

  7. Novel Hierarchical Fall Detection Algorithm Using a Multiphase Fall Model

    Science.gov (United States)

    Hsieh, Chia-Yeh; Liu, Kai-Chun; Huang, Chih-Ning; Chu, Woei-Chyn; Chan, Chia-Tai

    2017-01-01

    Falls are the primary cause of accidents for the elderly in the living environment. Reducing hazards in the living environment and performing exercises for training balance and muscles are the common strategies for fall prevention. However, falls cannot be avoided completely; fall detection provides an alarm that can decrease injuries or death caused by the lack of rescue. The automatic fall detection system has opportunities to provide real-time emergency alarms for improving the safety and quality of home healthcare services. Two common technical challenges are also tackled in order to provide a reliable fall detection algorithm, including variability and ambiguity. We propose a novel hierarchical fall detection algorithm involving threshold-based and knowledge-based approaches to detect a fall event. The threshold-based approach efficiently supports the detection and identification of fall events from continuous sensor data. A multiphase fall model is utilized, including free fall, impact, and rest phases for the knowledge-based approach, which identifies fall events and has the potential to deal with the aforementioned technical challenges of a fall detection system. Seven kinds of falls and seven types of daily activities arranged in an experiment are used to explore the performance of the proposed fall detection algorithm. The overall performances of the sensitivity, specificity, precision, and accuracy using a knowledge-based algorithm are 99.79%, 98.74%, 99.05% and 99.33%, respectively. The results show that the proposed novel hierarchical fall detection algorithm can cope with the variability and ambiguity of the technical challenges and fulfill the reliability, adaptability, and flexibility requirements of an automatic fall detection system with respect to the individual differences. PMID:28208694

  8. Assimilating multi-source uncertainties of a parsimonious conceptual hydrological model using hierarchical Bayesian modeling

    Science.gov (United States)

    Wei Wu; James Clark; James Vose

    2010-01-01

    Hierarchical Bayesian (HB) modeling allows for multiple sources of uncertainty by factoring complex relationships into conditional distributions that can be used to draw inference and make predictions. We applied an HB model to estimate the parameters and state variables of a parsimonious hydrological model – GR4J – by coherently assimilating the uncertainties from the...

  9. A note on adding and deleting edges in hierarchical log-linear models

    DEFF Research Database (Denmark)

    Edwards, David

    2012-01-01

    The operations of edge addition and deletion for hierarchical log-linear models are defined, and polynomial-time algorithms for the operations are given......The operations of edge addition and deletion for hierarchical log-linear models are defined, and polynomial-time algorithms for the operations are given...

  10. Optimum Binary Search Trees on the Hierarchical Memory Model

    CERN Document Server

    Thite, Shripad

    2008-01-01

    The Hierarchical Memory Model (HMM) of computation is similar to the standard Random Access Machine (RAM) model except that the HMM has a non-uniform memory organized in a hierarchy of levels numbered 1 through h. The cost of accessing a memory location increases with the level number, and accesses to memory locations belonging to the same level cost the same. Formally, the cost of a single access to the memory location at address a is given by m(a), where m: N -> N is the memory cost function, and the h distinct values of m model the different levels of the memory hierarchy. We study the problem of constructing and storing a binary search tree (BST) of minimum cost, over a set of keys, with probabilities for successful and unsuccessful searches, on the HMM with an arbitrary number of memory levels, and for the special case h=2. While the problem of constructing optimum binary search trees has been well studied for the standard RAM model, the additional parameter m for the HMM increases the combinatorial comp...

  11. A Biological Hierarchical Model Based Underwater Moving Object Detection

    Directory of Open Access Journals (Sweden)

    Jie Shen

    2014-01-01

    Full Text Available Underwater moving object detection is the key for many underwater computer vision tasks, such as object recognizing, locating, and tracking. Considering the super ability in visual sensing of the underwater habitats, the visual mechanism of aquatic animals is generally regarded as the cue for establishing bionic models which are more adaptive to the underwater environments. However, the low accuracy rate and the absence of the prior knowledge learning limit their adaptation in underwater applications. Aiming to solve the problems originated from the inhomogeneous lumination and the unstable background, the mechanism of the visual information sensing and processing pattern from the eye of frogs are imitated to produce a hierarchical background model for detecting underwater objects. Firstly, the image is segmented into several subblocks. The intensity information is extracted for establishing background model which could roughly identify the object and the background regions. The texture feature of each pixel in the rough object region is further analyzed to generate the object contour precisely. Experimental results demonstrate that the proposed method gives a better performance. Compared to the traditional Gaussian background model, the completeness of the object detection is 97.92% with only 0.94% of the background region that is included in the detection results.

  12. Higher-order models versus direct hierarchical models: g as superordinate or breadth factor?

    Directory of Open Access Journals (Sweden)

    GILLES E. GIGNAC

    2008-03-01

    Full Text Available Intelligence research appears to have overwhelmingly endorsed a superordinate (higher-order model conceptualization of g, in comparison to the relatively less well-known breadth conceptualization of g, as represented by the direct hierarchical model. In this paper, several similarities and distinctions between the indirect and direct hierarchical models are delineated. Based on the re-analysis of five correlation matrices, it was demonstrated via CFA that the conventional conception of g as a higher-order superordinate factor was likely not as plausible as a first-order breadth factor. The results are discussed in light of theoretical advantages of conceptualizing g as a first-order factor. Further, because the associations between group-factors and g are constrained to zero within a direct hierarchical model, previous observations of isomorphic associations between a lower-order group factor and g are questioned.

  13. Multiscale modeling of the effect of carbon nanotube orientation on the shear deformation properties of reinforced polymer-based composites

    Energy Technology Data Exchange (ETDEWEB)

    Montazeri, A. [Institute for Nano-Science and Technology, Sharif University of Technology, Tehran (Iran, Islamic Republic of); Computational Physical Sciences Research Laboratory, School of Nano-Science, Institute for Research in Fundamental Sciences (IPM), Tehran (Iran, Islamic Republic of); Sadeghi, M. [Institute for Nano-Science and Technology, Sharif University of Technology, Tehran (Iran, Islamic Republic of); Naghdabadi, R., E-mail: naghdabd@sharif.ed [Institute for Nano-Science and Technology, Sharif University of Technology, Tehran (Iran, Islamic Republic of); Department of Mechanical Engineering, Sharif University of Technology, Tehran (Iran, Islamic Republic of); Rafii-Tabar, H. [Computational Physical Sciences Research Laboratory, School of Nano-Science, Institute for Research in Fundamental Sciences (IPM), Tehran (Iran, Islamic Republic of); Department of Medical Physics and Biomedical Engineering, and Research Centre for Medical Nanotechnology and Tissue Engineering, Shahid Beheshti University of Medical Sciences, Evin, Tehran (Iran, Islamic Republic of)

    2011-04-04

    A combination of molecular dynamics (MD), continuum elasticity and FEM is used to predict the effect of CNT orientation on the shear modulus of SWCNT-polymer nanocomposites. We first develop a transverse-isotropic elastic model of SWCNTs based on the continuum elasticity and MD to compute the transverse-isotropic elastic constants of SWCNTs. These constants are then used in an FEM-based simulation to investigate the effect of SWCNT alignment on the shear modulus of nanocomposites. Furthermore, shear stress distributions along the nanotube axis and over its cross-sectional area are investigated to study the effect of CNT orientation on the shear load transfer. - Highlights: A transverse-isotropic elastic model of SWCNTs is presented. A hierarchical MD/FEM multiscale model of SWCNT-polymer composites is developed. Behavior of these nanocomposites under shear deformation is studied. A symmetric shear stress distribution occurs only in SWCNTs with 45{sup o} orientation. The total shear load sustained is greatest in the case of 45{sup o} orientation.

  14. Hierarchical modeling and inference in ecology: the analysis of data from populations, metapopulations and communities

    National Research Council Canada - National Science Library

    Royle, J. Andrew; Dorazio, Robert M

    2008-01-01

    "This book describes a general and flexible framework for modeling and inference in ecological systems based on hierarchical modeling in which a strict focus on probability models and parametric inference is adopted...

  15. A hierarchical network modeling method for railway tunnels safety assessment

    Science.gov (United States)

    Zhou, Jin; Xu, Weixiang; Guo, Xin; Liu, Xumin

    2017-02-01

    Using network theory to model risk-related knowledge on accidents is regarded as potential very helpful in risk management. A large amount of defects detection data for railway tunnels is collected in autumn every year in China. It is extremely important to discover the regularities knowledge in database. In this paper, based on network theories and by using data mining techniques, a new method is proposed for mining risk-related regularities to support risk management in railway tunnel projects. A hierarchical network (HN) model which takes into account the tunnel structures, tunnel defects, potential failures and accidents is established. An improved Apriori algorithm is designed to rapidly and effectively mine correlations between tunnel structures and tunnel defects. Then an algorithm is presented in order to mine the risk-related regularities table (RRT) from the frequent patterns. At last, a safety assessment method is proposed by consideration of actual defects and possible risks of defects gained from the RRT. This method cannot only generate the quantitative risk results but also reveal the key defects and critical risks of defects. This paper is further development on accident causation network modeling methods which can provide guidance for specific maintenance measure.

  16. Production optimisation in the petrochemical industry by hierarchical multivariate modelling

    Energy Technology Data Exchange (ETDEWEB)

    Andersson, Magnus; Furusjoe, Erik; Jansson, Aasa

    2004-06-01

    This project demonstrates the advantages of applying hierarchical multivariate modelling in the petrochemical industry in order to increase knowledge of the total process. The models indicate possible ways to optimise the process regarding the use of energy and raw material, which is directly linked to the environmental impact of the process. The refinery of Nynaes Refining AB (Goeteborg, Sweden) has acted as a demonstration site in this project. The models developed for the demonstration site resulted in: Detection of an unknown process disturbance and suggestions of possible causes; Indications on how to increase the yield in combination with energy savings; The possibility to predict product quality from on-line process measurements, making the results available at a higher frequency than customary laboratory analysis; Quantification of the gradually lowered efficiency of heat transfer in the furnace and increased fuel consumption as an effect of soot build-up on the furnace coils; Increased knowledge of the relation between production rate and the efficiency of the heat exchangers. This report is one of two reports from the project. It contains a technical discussion of the result with some degree of detail. A shorter and more easily accessible report is also available, see IVL report B1586-A.

  17. Production optimisation in the petrochemical industry by hierarchical multivariate modelling

    Energy Technology Data Exchange (ETDEWEB)

    Andersson, Magnus; Furusjoe, Erik; Jansson, Aasa

    2004-06-01

    This project demonstrates the advantages of applying hierarchical multivariate modelling in the petrochemical industry in order to increase knowledge of the total process. The models indicate possible ways to optimise the process regarding the use of energy and raw material, which is directly linked to the environmental impact of the process. The refinery of Nynaes Refining AB (Goeteborg, Sweden) has acted as a demonstration site in this project. The models developed for the demonstration site resulted in: Detection of an unknown process disturbance and suggestions of possible causes; Indications on how to increase the yield in combination with energy savings; The possibility to predict product quality from on-line process measurements, making the results available at a higher frequency than customary laboratory analysis; Quantification of the gradually lowered efficiency of heat transfer in the furnace and increased fuel consumption as an effect of soot build-up on the furnace coils; Increased knowledge of the relation between production rate and the efficiency of the heat exchangers. This report is one of two reports from the project. It contains a technical discussion of the result with some degree of detail. A shorter and more easily accessible report is also available, see IVL report B1586-A.

  18. MULTISCALE PHENOMENA IN MATERIALS

    Energy Technology Data Exchange (ETDEWEB)

    A. BISHOP

    2000-09-01

    This project developed and supported a technology base in nonequilibrium phenomena underpinning fundamental issues in condensed matter and materials science, and applied this technology to selected problems. In this way the increasingly sophisticated synthesis and characterization available for classes of complex electronic and structural materials provided a testbed for nonlinear science, while nonlinear and nonequilibrium techniques helped advance our understanding of the scientific principles underlying the control of material microstructure, their evolution, fundamental to macroscopic functionalities. The project focused on overlapping areas of emerging thrusts and programs in the Los Alamos materials community for which nonlinear and nonequilibrium approaches will have decisive roles and where productive teamwork among elements of modeling, simulations, synthesis, characterization and applications could be anticipated--particularly multiscale and nonequilibrium phenomena, and complex matter in and between fields of soft, hard and biomimetic materials. Principal topics were: (i) Complex organic and inorganic electronic materials, including hard, soft and biomimetic materials, self-assembly processes and photophysics; (ii) Microstructure and evolution in multiscale and hierarchical materials, including dynamic fracture and friction, dislocation and large-scale deformation, metastability, and inhomogeneity; and (iii) Equilibrium and nonequilibrium phases and phase transformations, emphasizing competing interactions, frustration, landscapes, glassy and stochastic dynamics, and energy focusing.

  19. Distributed infrastructure for multiscale computing

    NARCIS (Netherlands)

    Zasada, S.J.; Mamonski, M.; Groen, D.; Borgdorff, J.; Saverchenko, I.; Piontek, T.; Kurowski, K.; Coveney, P.V.; Boukerche, A.; Cahill, V.; El-Saddik, A.; Theodoropoulos, G.; Walshe, R.

    2012-01-01

    Today scientists and engineers are commonly faced with the challenge of modelling, predicting and controlling multiscale systems which cross scientific disciplines and where several processes acting at different scales coexist and interact. Such multidisciplinary multiscale models, when simulated in

  20. Consistent approach to edge detection using multiscale fuzzy modeling analysis in the human retina

    Directory of Open Access Journals (Sweden)

    Mehdi Salimian

    2012-06-01

    Full Text Available Today, many widely used image processing algorithms based on human visual system have been developed. In this paper a smart edge detection based on modeling the performance of simple and complex cells and also modeling and multi-scale image processing in the primary visual cortex is presented. A way to adjust the parameters of Gabor filters (mathematical models of simple cells And the proposed non-linear threshold response are presented in order to Modeling of simple and complex cells. Also, due to multi-scale modeling analysis conducted in the human retina, in the proposed algorithm, all edges of the small and large structures with high precision are detected and localized. Comparing the results of the proposed method for a reliable database with conventional methods shows the higher Performance (about 4-13% and reliability of the proposed method in the detection and localization of edge.