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.
Zhang, Xueliang; Xiao, Pengfeng; Feng, Xuezhi
2017-09-01
It has been a common idea to produce multiscale segmentations to represent the various geographic objects in high-spatial resolution remote sensing (HR) images. However, it remains a great challenge to automatically select the proper segmentation scale(s) just according to the image information. In this study, we propose a novel way of information fusion at object level by combining hierarchical multiscale segmentations with existed thematic information produced by classification or recognition. The tree Markov random field (T-MRF) model is designed for the multiscale combination framework, through which the object type is determined as close as the existed thematic information. At the same time, the object boundary is jointly determined by the thematic labels and the multiscale segments through the minimization of the energy function. The benefits of the proposed T-MRF combination model include: (1) reducing the dependence of segmentation scale selection when utilizing multiscale segmentations; (2) exploring the hierarchical context naturally imbedded in the multiscale segmentations. The HR images in both urban and rural areas are used in the experiments to show the effectiveness of the proposed combination framework on these two aspects.
Bayesian Uncertainty Quantification for Subsurface Inversion Using a Multiscale Hierarchical Model
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.
International Nuclear Information System (INIS)
Makela, A.
2003-01-01
A generally accepted method has not emerged for managing the different temporal and spatial scales in a forest ecosystem. This paper reviews a hierarchical-modular modelling tradition, with the main focus on individual tree growth throughout the rotation. At this scale, model performance requires (i) realistic long-term dynamic properties, (ii) realistic responses of growth and mortality of competing individuals, and (iii) realistic responses to ecophysio-logical inputs. Model development and validation are illustrated through allocation patterns, height growth, and size-related feedbacks. Empirical work to test the approach is reviewed. In this approach, finer scale effects are embedded in parameters calculated using more detailed, interacting modules. This is exemplified by (i) the within-year effect of weather on annual photosynthesis, (ii) the effects of fast soil processes on carbon allocation and photosynthesis, and (iii) the utilization of detailed stem structure to predict wood quality. Prevailing management paradigms are reflected in growth modelling. A shift of emphasis has occurred from productivity in homogeneous canopies towards, e.g., wood quality versus total yield, spatially more explicit models, and growth decline in old-growth forests. The new problems emphasize the hierarchy of the system and interscale interactions, suggesting that the hierarchical-modular approach could prove constructive. (author)
Macklin, Paul; Cristini, Vittorio
2013-01-01
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 insight on 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. PMID:21529163
Hierarchical Semantic Model of Geovideo
Directory of Open Access Journals (Sweden)
XIE Xiao
2015-05-01
Full Text Available The public security incidents were getting increasingly challenging with regard to their new features, including multi-scale mobility, multistage dynamic evolution, as well as spatiotemporal concurrency and uncertainty in the complex urban environment. However, the existing video models, which were used/designed for independent archive or local analysis of surveillance video, have seriously inhibited emergency response to the urgent requirements.Aiming at the explicit representation of change mechanism in video, the paper proposed a novel hierarchical geovideo semantic model using UML. This model was characterized by the hierarchical representation of both data structure and semantics based on the change-oriented three domains (feature domain, process domain and event domain instead of overall semantic description of video streaming; combining both geographical semantics and video content semantics, in support of global semantic association between multiple geovideo data. The public security incidents by video surveillance are inspected as an example to illustrate the validity of this model.
Fast Multiscale Reservoir Simulations using POD-DEIM Model Reduction
Ghasemi, Mohammadreza; Yang, Yanfang; Gildin, Eduardo; Efendiev, Yalchin R.; Calo, Victor M.
2015-01-01
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
Multifunctional multiscale composites: Processing, modeling and characterization
Qiu, Jingjing
Carbon nanotubes (CNTs) demonstrate extraordinary properties and show great promise in enhancing out-of-plane properties of traditional polymer/fiber composites and enabling functionality. However, current manufacturing challenges hinder the realization of their potential. In the dissertation research, both experimental and computational efforts have been conducted to investigate effective manufacturing techniques of CNT integrated multiscale composites. The fabricated composites demonstrated significant improvements in physical properties, such as tensile strength, tensile modulus, inter-laminar shear strength, thermal dimension stability and electrical conductivity. Such multiscale composites were truly multifunctional with the addition of CNTs. Furthermore, a novel hierarchical multiscale modeling method was developed in this research. Molecular dynamic (MD) simulation offered reasonable explanation of CNTs dispersion and their motion in polymer solution. Bi-mode finite-extensible-nonlinear-elastic (FENE) dumbbell simulation was used to analyze the influence of CNT length distribution on the stress tensor and shear-rate-dependent viscosity. Based on the simulated viscosity profile and empirical equations from experiments, a macroscale flow simulation model on the finite element method (FEM) method was developed and validated to predict resin flow behavior in the processing of CNT-enhanced multiscale composites. The proposed multiscale modeling method provided a comprehensive understanding of micro/nano flow in both atomistic details and mesoscale. The simulation model can be used to optimize process design and control of the mold-filling process in multiscale composite manufacturing. This research provided systematic investigations into the CNT-based multiscale composites. The results from this study may be used to leverage the benefits of CNTs and open up new application opportunities for high-performance multifunctional multiscale composites. Keywords. Carbon
Multiscale modelling of nanostructures
International Nuclear Information System (INIS)
Vvedensky, Dimitri D
2004-01-01
Most materials phenomena are manifestations of processes that are operative over a vast range of length and time scales. A complete understanding of the behaviour of materials thereby requires theoretical and computational tools that span the atomic-scale detail of first-principles methods and the more coarse-grained description provided by continuum equations. Recent efforts have focused on combining traditional methodologies-density functional theory, molecular dynamics, Monte Carlo methods and continuum descriptions-within a unified multiscale framework. This review covers the techniques that have been developed to model various aspects of materials behaviour with the ultimate aim of systematically coupling the atomistic to the continuum descriptions. The approaches described typically have been motivated by particular applications but can often be applied in wider contexts. The self-assembly of quantum dot ensembles will be used as a case study for the issues that arise and the methods used for all nanostructures. Although quantum dots can be obtained with all the standard growth methods and for a variety of material systems, their appearance is a quite selective process, involving the competition between equilibrium and kinetic effects, and the interplay between atomistic and long-range interactions. Most theoretical models have addressed particular aspects of the ordering kinetics of quantum dot ensembles, with far fewer attempts at a comprehensive synthesis of this inherently multiscale phenomenon. We conclude with an assessment of the current status of multiscale modelling strategies and highlight the main outstanding issues. (topical review)
Multiscale Computing with the Multiscale Modeling Library and Runtime Environment
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
Multiscale experimental mechanics of hierarchical carbon-based materials.
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. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
Multiscale Signal Analysis and Modeling
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...
Multiscale modeling of emergent materials: biological and soft matter
DEFF Research Database (Denmark)
Murtola, Teemu; Bunker, Alex; Vattulainen, Ilpo
2009-01-01
In this review, we focus on four current related issues in multiscale modeling of soft and biological matter. First, we discuss how to use structural information from detailed models (or experiments) to construct coarse-grained ones in a hierarchical and systematic way. This is discussed in the c......In this review, we focus on four current related issues in multiscale modeling of soft and biological matter. First, we discuss how to use structural information from detailed models (or experiments) to construct coarse-grained ones in a hierarchical and systematic way. This is discussed...
Analysis of individual brain activation maps using hierarchical description and multiscale detection
International Nuclear Information System (INIS)
Poline, J.B.; Mazoyer, B.M.
1994-01-01
The authors propose a new method for the analysis of brain activation images that aims at detecting activated volumes rather than pixels. The method is based on Poisson process modeling, hierarchical description, and multiscale detection (MSD). Its performances have been assessed using both Monte Carlo simulated images and experimental PET brain activation data. As compared to other methods, the MSD approach shows enhanced sensitivity with a controlled overall type I error, and has the ability to provide an estimate of the spatial limits of the detected signals. It is applicable to any kind of difference image for which the spatial autocorrelation function can be approximated by a stationary Gaussian function
Hierarchical species distribution models
Hefley, Trevor J.; Hooten, Mevin B.
2016-01-01
Determining the distribution pattern of a species is important to increase scientific knowledge, inform management decisions, and conserve biodiversity. To infer spatial and temporal patterns, species distribution models have been developed for use with many sampling designs and types of data. Recently, it has been shown that count, presence-absence, and presence-only data can be conceptualized as arising from a point process distribution. Therefore, it is important to understand properties of the point process distribution. We examine how the hierarchical species distribution modeling framework has been used to incorporate a wide array of regression and theory-based components while accounting for the data collection process and making use of auxiliary information. The hierarchical modeling framework allows us to demonstrate how several commonly used species distribution models can be derived from the point process distribution, highlight areas of potential overlap between different models, and suggest areas where further research is needed.
Bayesian nonparametric hierarchical modeling.
Dunson, David B
2009-04-01
In biomedical research, hierarchical models are very widely used to accommodate dependence in multivariate and longitudinal data and for borrowing of information across data from different sources. A primary concern in hierarchical modeling is sensitivity to parametric assumptions, such as linearity and normality of the random effects. Parametric assumptions on latent variable distributions can be challenging to check and are typically unwarranted, given available prior knowledge. This article reviews some recent developments in Bayesian nonparametric methods motivated by complex, multivariate and functional data collected in biomedical studies. The author provides a brief review of flexible parametric approaches relying on finite mixtures and latent class modeling. Dirichlet process mixture models are motivated by the need to generalize these approaches to avoid assuming a fixed finite number of classes. Focusing on an epidemiology application, the author illustrates the practical utility and potential of nonparametric Bayes methods.
Bioinspired Omnidirectional Self-Stable Reflectors with Multiscale Hierarchical Structures.
Han, Zhiwu; Mu, Zhengzhi; Li, Bo; Feng, Xiaoming; Wang, Ze; Zhang, Junqiu; Niu, Shichao; Ren, Luquan
2017-08-30
Structured surfaces, demonstrating various wondrous physicochemical performances, are ubiquitous phenomena in nature. Butterfly wings with impressive structural colors are an interesting example for multiscale hierarchical structures (MHSs). However, most natural structural colors are relatively unstable and highly sensitive to incident angles, which limit their potential practical applications to a certain extent. Here, we reported a bioinspired color reflector with omnidirectional reflective self-stable (ORS) properties, which is inspired by the wing scales of Papilio palinurus butterfly. Through experimental exploration and theoretical analysis, it was found that the vivid colors of such butterfly wings are structure-based and possess novel ORS properties, which attributes to the multiple optical actions between light and the complex structures coupling the inverse opal-like structures (IOSs) and stacked lamellar ridges (SLRs). On the basis of this, we designed and successfully fabricated the SiO 2 -based bioinspired color reflectors (BCRs) through a facile and effective biotemplate method. It was confirmed that the MHSs in biotemplate are inherited by the obtained SiO 2 -based BCRs. More importantly, the SiO 2 -based BCRs also demonstrated the similar ORS properties in a wide wavelength range. We forcefully anticipate that the reported MHS-based ORS performance discovered in butterfly wing scales here could offer new thoughts for scientists to solve unstable reflection issues in particular optical field. The involved biotemplate fabrication method offers a facile and effective strategy for fabricating functional nanomaterials or bioinspired nanodevices with 3D complex nanostructures, such as structured optical devices, displays, and optoelectronic equipment.
Integrated multiscale biomaterials experiment and modelling: a perspective
Buehler, Markus J.; Genin, Guy M.
2016-01-01
Advances in multiscale models and computational power have enabled a broad toolset to predict how molecules, cells, tissues and organs behave and develop. A key theme in biological systems is the emergence of macroscale behaviour from collective behaviours across a range of length and timescales, and a key element of these models is therefore hierarchical simulation. However, this predictive capacity has far outstripped our ability to validate predictions experimentally, particularly when multiple hierarchical levels are involved. The state of the art represents careful integration of multiscale experiment and modelling, and yields not only validation, but also insights into deformation and relaxation mechanisms across scales. We present here a sampling of key results that highlight both challenges and opportunities for integrated multiscale experiment and modelling in biological systems. PMID:28981126
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
Hierarchical composites: Analysis of damage evolution based on fiber bundle model
DEFF Research Database (Denmark)
Mishnaevsky, Leon
2011-01-01
A computational model of multiscale composites is developed on the basis of the fiber bundle model with the hierarchical load sharing rule, and employed to study the effect of the microstructures of hierarchical composites on their damage resistance. Two types of hierarchical materials were consi...
Wang, Yu; Sun, Qingyang; Xiao, Jianliang
2018-02-01
Highly organized hierarchical surface morphologies possess various intriguing properties that could find important potential applications. In this paper, we demonstrate a facile approach to simultaneously form multiscale hierarchical surface morphologies through sequential wrinkling. This method combines surface wrinkling induced by thermal expansion and mechanical strain on a three-layer structure composed of an aluminum film, a hard Polydimethylsiloxane (PDMS) film, and a soft PDMS substrate. Deposition of the aluminum film on hard PDMS induces biaxial wrinkling due to thermal expansion mismatch, and recovering the prestrain in the soft PDMS substrate leads to wrinkling of the hard PDMS film. In total, three orders of wrinkling patterns form in this process, with wavelength and amplitude spanning 3 orders of magnitude in length scale. By increasing the prestrain in the soft PDMS substrate, a hierarchical wrinkling-folding structure was also obtained. This approach can be easily extended to other thin films for fabrication of multiscale hierarchical surface morphologies with potential applications in different areas.
MULTISCALE THERMOHYDROLOGIC MODEL
International Nuclear Information System (INIS)
T. Buscheck
2005-01-01
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
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
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...... to plastic deformation. The macroscopic operators found, can be used to model metal matrix composites on the macroscopic scale using a hierarchical multi-scale approach. Finally, decohesion under tension and shear loading is studied using a cohesive law for the interface between matrix and fiber....
Differential Geometry Based Multiscale Models
Wei, Guo-Wei
2010-01-01
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 atom-istic 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
Differential geometry based multiscale models.
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
Multiscale modelling for tokamak pedestals
Abel, I. G.
2018-04-01
Pedestal modelling is crucial to predict the performance of future fusion devices. Current modelling efforts suffer either from a lack of kinetic physics, or an excess of computational complexity. To ameliorate these problems, we take a first-principles multiscale approach to the pedestal. We will present three separate sets of equations, covering the dynamics of edge localised modes (ELMs), the inter-ELM pedestal and pedestal turbulence, respectively. Precisely how these equations should be coupled to each other is covered in detail. This framework is completely self-consistent; it is derived from first principles by means of an asymptotic expansion of the fundamental Vlasov-Landau-Maxwell system in appropriate small parameters. The derivation exploits the narrowness of the pedestal region, the smallness of the thermal gyroradius and the low plasma (the ratio of thermal to magnetic pressures) typical of current pedestal operation to achieve its simplifications. The relationship between this framework and gyrokinetics is analysed, and possibilities to directly match our systems of equations onto multiscale gyrokinetics are explored. A detailed comparison between our model and other models in the literature is performed. Finally, the potential for matching this framework onto an open-field-line region is briefly discussed.
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
2014-12-01
is an ordered array of bone fibers in a matrix material [1]. It is the dominant form of bone and closely resembles a layered fiber - reinforced ...mineral [3], [14]. These fibers are not independent structures, but exist only within the complex lamellar bone [13], similar to a fiber reinforced ...accuracy of this method. What this model does not provide is the transverse properties or a Poisson ’ s ratio for TC. Thus, we must assume that
Versatile Micromechanics Model for Multiscale Analysis of Composite Structures
Kwon, Y. W.; Park, M. S.
2013-08-01
A general-purpose micromechanics model was developed so that the model could be applied to various composite materials such as reinforced by particles, long fibers and short fibers as well as those containing micro voids. Additionally, the model can be used with hierarchical composite materials. The micromechanics model can be used to compute effective material properties like elastic moduli, shear moduli, Poisson's ratios, and coefficients of thermal expansion for the various composite materials. The model can also calculate the strains and stresses at the constituent material level such as fibers, particles, and whiskers from the composite level stresses and strains. The model was implemented into ABAQUS using the UMAT option for multiscale analysis. An extensive set of examples are presented to demonstrate the reliability and accuracy of the developed micromechanics model for different kinds of composite materials. Another set of examples is provided to study the multiscale analysis of composite structures.
Jeong, Hoon Eui; Kwak, Rhokyun; Khademhosseini, Ali; Suh, Kahp Y.
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.
Multiscale modelling of DNA mechanics
International Nuclear Information System (INIS)
Dršata, Tomáš; Lankaš, Filip
2015-01-01
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. (topical review)
Multiscale modeling of pedestrian dynamics
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.
International Nuclear Information System (INIS)
Tome, Carlos N.; Caro, J.A.; Lebensohn, R.A.; Unal, Cetin; Arsenlis, A.; Marian, J.; Pasamehmetoglu, K.
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.
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
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....
Multiscale Modeling of Wear Degradation
Moraes, Alvaro; Ruggeri, Fabrizio; Tempone, Raul; Vilanova, Pedro
2016-01-01
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.
Multiscale Modeling of Wear Degradation
Moraes, Alvaro; Ruggeri, Fabrizio; Tempone, Raul; Vilanova, Pedro
2015-01-01
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.
Multiscale Modeling of Wear Degradation
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.
Multiscale Modeling of Wear Degradation
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.
Multiscale Modeling of Wear Degradation
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.
International Nuclear Information System (INIS)
Tashiro, Tohru
2014-01-01
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
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.
Multiscale modelling in immunology: a review.
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. © The Author 2015. Published by Oxford University Press. For Permissions, please email: journals.permissions@oup.com.
Foundations for a multiscale collaborative Earth model
Afanasiev, M.; Peter, Daniel; Sager, K.; Simut, S.; Ermert, L.; Krischer, L.; Fichtner, A.
2015-01-01
. 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
Multiscale Modeling of PEEK Using Reactive Molecular Dynamics Modeling and Micromechanics
Pisani, William A.; Radue, Matthew; Chinkanjanarot, Sorayot; Bednarcyk, Brett A.; Pineda, Evan J.; King, Julia A.; Odegard, Gregory M.
2018-01-01
Polyether ether ketone (PEEK) is a high-performance, semi-crystalline thermoplastic that is used in a wide range of engineering applications, including some structural components of aircraft. The design of new PEEK-based materials requires a precise understanding of the multiscale structure and behavior of semi-crystalline PEEK. Molecular Dynamics (MD) modeling can efficiently predict bulk-level properties of single phase polymers, and micromechanics can be used to homogenize those phases based on the overall polymer microstructure. In this study, MD modeling was used to predict the mechanical properties of the amorphous and crystalline phases of PEEK. The hierarchical microstructure of PEEK, which combines the aforementioned phases, was modeled using a multiscale modeling approach facilitated by NASA's MSGMC. The bulk mechanical properties of semi-crystalline PEEK predicted using MD modeling and MSGMC agree well with vendor data, thus validating the multiscale modeling approach.
Borgdorff, J.; Bona-Casas, C.; Mamonski, M.; Kurowski, K.; Piontek, T.; Bosak, B.; Rycerz, K.; Ciepiela, E.; Gubala, T.; Harezlak, D.; Bubak, M.; Lorenz, E.; Hoekstra, A.G.
2012-01-01
Nature is observed at all scales; with multiscale modeling, scientists bring together several scales for a holistic analysis of a phenomenon. The models on these different scales may require significant but also heterogeneous computational resources, creating the need for distributed multiscale
Novel Multiscale Modeling Tool Applied to Pseudomonas aeruginosa Biofilm Formation
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 mod...
Integrated multi-scale modelling and simulation of nuclear fuels
International Nuclear Information System (INIS)
Valot, C.; Bertolus, M.; Masson, R.; Malerba, L.; Rachid, J.; Besmann, T.; Phillpot, S.; Stan, M.
2015-01-01
This chapter aims at discussing the objectives, implementation and integration of multi-scale modelling approaches applied to nuclear fuel materials. We will first show why the multi-scale modelling approach is required, due to the nature of the materials and by the phenomena involved under irradiation. We will then present the multiple facets of multi-scale modelling approach, while giving some recommendations with regard to its application. We will also show that multi-scale modelling must be coupled with appropriate multi-scale experiments and characterisation. Finally, we will demonstrate how multi-scale modelling can contribute to solving technology issues. (authors)
International Nuclear Information System (INIS)
Morishita, Kazunori; Watanabe, Yoshiyuki; Yoshimatsu, Jun-ichi
2008-01-01
Challenging efforts are discussed to establish an advanced methodology for prediction of material's property and performance changes by irradiation, which will be necessary by all means for the advanced reactor maintenance technology in the future. The changes of material's properties and performance caused by irradiation, such as irradiation-induced hardening, ductility loss, and material's degradation leading to reduction in reactor lifetime, are primarily determined by microstructural changes in materials during irradiation, where athermal lattice defects are continuously produced by collisions between an irradiating particle and a target material atom, and subsequently the defects are aggregated via diffusion in the form of dislocation loops, voids, and solute precipitation. These radiation damage processes are in essence multiscale phenomena, which involve varying time- and length-scales, from ballistic binary collisions to collective atomic motion in the thermal spike stage followed by the thermal activation process. In this report, the multiscale modeling approach is proposed to understand the processes in materials having complicated and hierarchical structures. (author)
Multi-scale habitat selection modeling: A review and outlook
Kevin McGarigal; Ho Yi Wan; Kathy A. Zeller; Brad C. Timm; Samuel A. Cushman
2016-01-01
Scale is the lens that focuses ecological relationships. Organisms select habitat at multiple hierarchical levels and at different spatial and/or temporal scales within each level. Failure to properly address scale dependence can result in incorrect inferences in multi-scale habitat selection modeling studies.
Energy Technology Data Exchange (ETDEWEB)
Emery, John M. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Coffin, Peter [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Robbins, Brian A. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Carroll, Jay [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Field, Richard V. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Jeremy Yoo, Yung Suk [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Kacher, Josh [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
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.
Multicollinearity in hierarchical linear models.
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. Copyright © 2015 Elsevier Inc. All rights reserved.
Multiscale modeling in biomechanics and mechanobiology
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...
Hierarchical modeling of active materials
International Nuclear Information System (INIS)
Taya, Minoru
2003-01-01
Intelligent (or smart) materials are increasingly becoming key materials for use in actuators and sensors. If an intelligent material is used as a sensor, it can be embedded in a variety of structure functioning as a health monitoring system to make their life longer with high reliability. If an intelligent material is used as an active material in an actuator, it plays a key role of making dynamic movement of the actuator under a set of stimuli. This talk intends to cover two different active materials in actuators, (1) piezoelectric laminate with FGM microstructure, (2) ferromagnetic shape memory alloy (FSMA). The advantage of using the FGM piezo laminate is to enhance its fatigue life while maintaining large bending displacement, while that of use in FSMA is its fast actuation while providing a large force and stroke capability. Use of hierarchical modeling of the above active materials is a key design step in optimizing its microstructure for enhancement of their performance. I will discuss briefly hierarchical modeling of the above two active materials. For FGM piezo laminate, we will use both micromechanical model and laminate theory, while for FSMA, the modeling interfacing nano-structure, microstructure and macro-behavior is discussed. (author)
Zanin, Massimiliano; Chorbev, Ivan; Stres, Blaz; Stalidzans, Egils; Vera, Julio; Tieri, Paolo; Castiglione, Filippo; Groen, Derek; Zheng, Huiru; Baumbach, Jan; Schmid, Johannes A; Basilio, José; Klimek, Peter; Debeljak, Nataša; Rozman, Damjana; Schmidt, Harald H H W
2017-12-05
Systems medicine holds many promises, but has so far provided only a limited number of proofs of principle. To address this road block, possible barriers and challenges of translating systems medicine into clinical practice need to be identified and addressed. The members of the European Cooperation in Science and Technology (COST) Action CA15120 Open Multiscale Systems Medicine (OpenMultiMed) wish to engage the scientific community of systems medicine and multiscale modelling, data science and computing, to provide their feedback in a structured manner. This will result in follow-up white papers and open access resources to accelerate the clinical translation of systems medicine. © The Author 2017. Published by Oxford University Press.
Huang, Zaiwang
Nacre (mother of pearl) is a self-assembled hierarchical nanocomposite in possession of exquisite multiscale architecture and exceptional mechanical properties. Previous work has shown that the highly-ordered brick-mortar-like structure in nacre is assembled via epitaxial growth and the aragonite platelets are pure single-crystals. Our results challenge this conclusion and propose that nacre's individual aragonite platelets are constructed with highly-aligned aragonite nanoparticles mediated by screw dislocation and amorphous aggregation. The underlying physics mechanism why the aragonite nanoparticles choose highly-oriented attachment as its crystallization pathway is rationalized in terms of thermodynamics. The aragonite nanoparticle order-disorder transformation can be triggered by high temperature and mechanical deformation, which in turn confirms that the aragonite nanoparticles are basic building blocks for aragonite platelets. Particularly fascinating is the fracture toughness enhancement of nacre through exquisitely collecting mechanically inferior calcium carbonate (CaCO3) and biomolecules. The sandwich-like microarchitecture with a geometrically staggered arrangement can induce crack deflection along its biopolymer interface, thus significantly enhancing nacre's fracture toughness. Our new findings ambiguously demonstrate that, aside from crack deflection, the advancing crack can invade aragonite platelet, leaving a zigzag crack propagation pathway. These unexpected experimental observations disclose, for the first time, the inevitable structural role of aragonite platelets in enhancing nacre's fracture toughness. Simultaneously, the findings that the crack propagates in a zigzag manner within individual aragonite platelets overturn the previously well-established wisdom that considers aragonite platelets as brittle single-crystals. Moreover, we investigated the dynamical mechanical response of nacre under unixial compression. Our results show that the
Multiscale approach to equilibrating model polymer melts
DEFF Research Database (Denmark)
Svaneborg, Carsten; Ali Karimi-Varzaneh, Hossein; Hojdis, Nils
2016-01-01
We present an effective and simple multiscale method for equilibrating Kremer Grest model polymer melts of varying stiffness. In our approach, we progressively equilibrate the melt structure above the tube scale, inside the tube and finally at the monomeric scale. We make use of models designed...
Multiscale Modeling of Ceramic Matrix Composites
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.
Synergy of multi-scale toughening and protective mechanisms at hierarchical branch-stem interfaces
Müller, Ulrich; Gindl-Altmutter, Wolfgang; Konnerth, Johannes; Maier, Günther A.; Keckes, Jozef
2015-09-01
Biological materials possess a variety of artful interfaces whose size and properties are adapted to their hierarchical levels and functional requirements. Bone, nacre, and wood exhibit an impressive fracture resistance based mainly on small crystallite size, interface organic adhesives and hierarchical microstructure. Currently, little is known about mechanical concepts in macroscopic biological interfaces like the branch-stem junction with estimated 1014 instances on earth and sizes up to few meters. Here we demonstrate that the crack growth in the upper region of the branch-stem interface of conifer trees proceeds along a narrow predefined region of transversally loaded tracheids, denoted as sacrificial tissue, which fail upon critical bending moments on the branch. The specific arrangement of the tracheids allows disconnecting the overloaded branch from the stem in a controlled way by maintaining the stem integrity. The interface microstructure based on the sharply adjusted cell orientation and cell helical angle secures a zig-zag crack propagation path, mechanical interlock closing after the bending moment is removed, crack gap bridging and self-repairing by resin deposition. The multi-scale synergetic concepts allows for a controllable crack growth between stiff stem and flexible branch, as well as mechanical tree integrity, intact physiological functions and recovery after the cracking.
McKenna, J.E.; Castiglione, C.
2010-01-01
Classification is a valuable conservation tool for examining natural resource status and problems and is being developed for coastal aquatic habitats. We present an objective, multi-scale hydrospatial framework for nearshore areas of the Great Lakes. The hydrospatial framework consists of spatial units at eight hierarchical scales from the North American Continent to the individual 270-m spatial cell. Characterization of spatial units based on fish abundance and diversity provides a fish-guided classification of aquatic areas at each spatial scale and demonstrates how classifications may be generated from that framework. Those classification units then provide information about habitat, as well as biotic conditions, which can be compared, contrasted, and hierarchically related spatially. Examples within several representative coastal or open water zones of the Western Lake Erie pilot area highlight potential application of this classification system to management problems. This classification system can assist natural resource managers with planning and establishing priorities for aquatic habitat protection, developing rehabilitation strategies, or identifying special management actions.
Multiscale information modelling for heart morphogenesis
Energy Technology Data Exchange (ETDEWEB)
Abdulla, T; Imms, R; Summers, R [Department of Electronic and Electrical Engineering, Loughborough University, Loughborough (United Kingdom); Schleich, J M, E-mail: T.Abdulla@lboro.ac.u [LTSI Signal and Image Processing Laboratory, University of Rennes 1, Rennes (France)
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.
Multiscale information modelling for heart morphogenesis
International Nuclear Information System (INIS)
Abdulla, T; Imms, R; Summers, R; Schleich, J M
2010-01-01
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.
Multiscale modeling of mucosal immune responses
2015-01-01
Computational modeling techniques are playing increasingly important roles in advancing a systems-level mechanistic understanding of biological processes. Computer simulations guide and underpin experimental and clinical efforts. This study presents ENteric Immune Simulator (ENISI), a multiscale modeling tool for modeling the mucosal immune responses. ENISI's modeling environment can simulate in silico experiments from molecular signaling pathways to tissue level events such as tissue lesion formation. ENISI's architecture integrates multiple modeling technologies including ABM (agent-based modeling), ODE (ordinary differential equations), SDE (stochastic modeling equations), and PDE (partial differential equations). This paper focuses on the implementation and developmental challenges of ENISI. A multiscale model of mucosal immune responses during colonic inflammation, including CD4+ T cell differentiation and tissue level cell-cell interactions was developed to illustrate the capabilities, power and scope of ENISI MSM. Background Computational techniques are becoming increasingly powerful and modeling tools for biological systems are of greater needs. Biological systems are inherently multiscale, from molecules to tissues and from nano-seconds to a lifespan of several years or decades. ENISI MSM integrates multiple modeling technologies to understand immunological processes from signaling pathways within cells to lesion formation at the tissue level. This paper examines and summarizes the technical details of ENISI, from its initial version to its latest cutting-edge implementation. Implementation Object-oriented programming approach is adopted to develop a suite of tools based on ENISI. Multiple modeling technologies are integrated to visualize tissues, cells as well as proteins; furthermore, performance matching between the scales is addressed. Conclusion We used ENISI MSM for developing predictive multiscale models of the mucosal immune system during gut
Multiscale modeling of mucosal immune responses.
Mei, Yongguo; Abedi, Vida; Carbo, Adria; Zhang, Xiaoying; Lu, Pinyi; Philipson, Casandra; Hontecillas, Raquel; Hoops, Stefan; Liles, Nathan; Bassaganya-Riera, Josep
2015-01-01
Computational techniques are becoming increasingly powerful and modeling tools for biological systems are of greater needs. Biological systems are inherently multiscale, from molecules to tissues and from nano-seconds to a lifespan of several years or decades. ENISI MSM integrates multiple modeling technologies to understand immunological processes from signaling pathways within cells to lesion formation at the tissue level. This paper examines and summarizes the technical details of ENISI, from its initial version to its latest cutting-edge implementation. Object-oriented programming approach is adopted to develop a suite of tools based on ENISI. Multiple modeling technologies are integrated to visualize tissues, cells as well as proteins; furthermore, performance matching between the scales is addressed. We used ENISI MSM for developing predictive multiscale models of the mucosal immune system during gut inflammation. Our modeling predictions dissect the mechanisms by which effector CD4+ T cell responses contribute to tissue damage in the gut mucosa following immune dysregulation.Computational modeling techniques are playing increasingly important roles in advancing a systems-level mechanistic understanding of biological processes. Computer simulations guide and underpin experimental and clinical efforts. This study presents ENteric Immune Simulator (ENISI), a multiscale modeling tool for modeling the mucosal immune responses. ENISI's modeling environment can simulate in silico experiments from molecular signaling pathways to tissue level events such as tissue lesion formation. ENISI's architecture integrates multiple modeling technologies including ABM (agent-based modeling), ODE (ordinary differential equations), SDE (stochastic modeling equations), and PDE (partial differential equations). This paper focuses on the implementation and developmental challenges of ENISI. A multiscale model of mucosal immune responses during colonic inflammation, including CD4+ T
Chuan, Zun Liang; Ismail, Noriszura; Shinyie, Wendy Ling; Lit Ken, Tan; Fam, Soo-Fen; Senawi, Azlyna; Yusoff, Wan Nur Syahidah Wan
2018-04-01
Due to the limited of historical precipitation records, agglomerative hierarchical clustering algorithms widely used to extrapolate information from gauged to ungauged precipitation catchments in yielding a more reliable projection of extreme hydro-meteorological events such as extreme precipitation events. However, identifying the optimum number of homogeneous precipitation catchments accurately based on the dendrogram resulted using agglomerative hierarchical algorithms are very subjective. The main objective of this study is to propose an efficient regionalized algorithm to identify the homogeneous precipitation catchments for non-stationary precipitation time series. The homogeneous precipitation catchments are identified using average linkage hierarchical clustering algorithm associated multi-scale bootstrap resampling, while uncentered correlation coefficient as the similarity measure. The regionalized homogeneous precipitation is consolidated using K-sample Anderson Darling non-parametric test. The analysis result shows the proposed regionalized algorithm performed more better compared to the proposed agglomerative hierarchical clustering algorithm in previous studies.
Multiscale Modeling of Poromechanics in Geologic Media
Castelletto, N.; Hajibeygi, H.; Klevtsov, S.; Tchelepi, H.
2017-12-01
We describe a hybrid MultiScale Finite Element-Finite Volume (h-MSFE-FV) framework for the simulation of single-phase Darcy flow through deformable porous media that exhibit highly heterogeneous poromechanical properties over a wide range of length scales. In such systems, high resolution characterizations are a key requirement to obtain reliable modeling predictions and motivate the development of multiscale solution strategies to cope with the computational burden. A coupled two-field fine-scale mixed FE-FV discretization of the governing equations, namely conservation laws of linear momentum and mass, is first implemented based on a displacement-pressure formulation. After imposing a coarse-scale grid on the given fine-scale problem, for the MSFE displacement stage, the coarse-scale basis functions are obtained by solving local equilibrium problems within coarse elements. Such MSFE stage is then coupled with the MSFV method for flow, in which a dual-coarse grid is introduced to obtain approximate but conservative multiscale solutions. Robustness and accuracy of the proposed multiscale framework is demonstrated using a variety of challenging test problems.
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......, 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...
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.
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.
Multiscale Model Reduction with Generalized Multiscale Finite Element Methods in Geomathematics
Efendiev, Yalchin R.; Presho, Michael
2015-01-01
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.
Multiscale Model Reduction with Generalized Multiscale Finite Element Methods in Geomathematics
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.
Multi-Scale Models for the Scale Interaction of Organized Tropical Convection
Yang, Qiu
Assessing the upscale impact of organized tropical convection from small spatial and temporal scales is a research imperative, not only for having a better understanding of the multi-scale structures of dynamical and convective fields in the tropics, but also for eventually helping in the design of new parameterization strategies to improve the next-generation global climate models. Here self-consistent multi-scale models are derived systematically by following the multi-scale asymptotic methods and used to describe the hierarchical structures of tropical atmospheric flows. The advantages of using these multi-scale models lie in isolating the essential components of multi-scale interaction and providing assessment of the upscale impact of the small-scale fluctuations onto the large-scale mean flow through eddy flux divergences of momentum and temperature in a transparent fashion. Specifically, this thesis includes three research projects about multi-scale interaction of organized tropical convection, involving tropical flows at different scaling regimes and utilizing different multi-scale models correspondingly. Inspired by the observed variability of tropical convection on multiple temporal scales, including daily and intraseasonal time scales, the goal of the first project is to assess the intraseasonal impact of the diurnal cycle on the planetary-scale circulation such as the Hadley cell. As an extension of the first project, the goal of the second project is to assess the intraseasonal impact of the diurnal cycle over the Maritime Continent on the Madden-Julian Oscillation. In the third project, the goals are to simulate the baroclinic aspects of the ITCZ breakdown and assess its upscale impact on the planetary-scale circulation over the eastern Pacific. These simple multi-scale models should be useful to understand the scale interaction of organized tropical convection and help improve the parameterization of unresolved processes in global climate models.
Hierarchical modeling and analysis for spatial data
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
Multiscale agent-based cancer modeling.
Zhang, Le; Wang, Zhihui; Sagotsky, Jonathan A; Deisboeck, Thomas S
2009-04-01
Agent-based modeling (ABM) is an in silico technique that is being used in a variety of research areas such as in social sciences, economics and increasingly in biomedicine as an interdisciplinary tool to study the dynamics of complex systems. Here, we describe its applicability to integrative tumor biology research by introducing a multi-scale tumor modeling platform that understands brain cancer as a complex dynamic biosystem. We summarize significant findings of this work, and discuss both challenges and future directions for ABM in the field of cancer research.
A complete categorization of multiscale models of infectious disease systems.
Garira, Winston
2017-12-01
Modelling of infectious disease systems has entered a new era in which disease modellers are increasingly turning to multiscale modelling to extend traditional modelling frameworks into new application areas and to achieve higher levels of detail and accuracy in characterizing infectious disease systems. In this paper we present a categorization framework for categorizing multiscale models of infectious disease systems. The categorization framework consists of five integration frameworks and five criteria. We use the categorization framework to give a complete categorization of host-level immuno-epidemiological models (HL-IEMs). This categorization framework is also shown to be applicable in categorizing other types of multiscale models of infectious diseases beyond HL-IEMs through modifying the initial categorization framework presented in this study. Categorization of multiscale models of infectious disease systems in this way is useful in bringing some order to the discussion on the structure of these multiscale models.
Fast Multiscale Reservoir Simulations using POD-DEIM Model Reduction
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.
Analysis hierarchical model for discrete event systems
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.
Multi-scale Modelling of Segmentation
DEFF Research Database (Denmark)
Hartmann, Martin; Lartillot, Olivier; Toiviainen, Petri
2016-01-01
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......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...
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.
Multiscale Modeling of Ionospheric Irregularities
2014-10-22
numerical simulations of ionospheric plasma density structures associated with nonlinear evolution of the Rayleigh-Taylor (RT) instabilities in...model was developed to resolve the transport pat- terns of plasma density coupled with neutral atmospheric dynamics. Inclusion of neutral dynamics in...trapping electromagnetic (EM) waves in parabolic cavities, which are created by the refractive index gradients along the propagation paths. Keywords
Multiscale modelling of DNA mechanics
Czech Academy of Sciences Publication Activity Database
Dršata, Tomáš; Lankaš, Filip
2015-01-01
Roč. 27, č. 32 (2015), 323102/1-323102/12 ISSN 0953-8984 R&D Projects: GA ČR(CZ) GA14-21893S Institutional support: RVO:61388963 Keywords : DNA elasticity * DNA coarse-grained models * molecular dynamics simulations Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.209, year: 2015
Multiscale geomorphometric modeling of Mercury
Florinsky, I. V.
2018-02-01
Topography is one of the key characteristics of a planetary body. Geomorphometry deals with quantitative modeling and analysis of the topographic surface and relationships between topography and other natural components of landscapes. The surface of Mercury is systematically studied by interpretation of images acquired during the MErcury Surface, Space ENvironment, GEochemistry, and Ranging (MESSENGER) mission. However, the Mercurian surface is still little explored by methods of geomorphometry. In this paper, we evaluate the Mercury MESSENGER Global DEM MSGR_DEM_USG_SC_I_V02 - a global digital elevation model (DEM) of Mercury with the resolution of 0.015625° - as a source for geomorphometric modeling of this planet. The study was performed at three spatial scales: the global, regional (the Caloris basin), and local (the Pantheon Fossae area) ones. As the initial data, we used three DEMs of these areas with resolutions of 0.25°, 0.0625°, and 0.015625°, correspondingly. The DEMs were extracted from the MESSENGER Global DEM. From the DEMs, we derived digital models of several fundamental morphometric variables, such as: slope gradient, horizontal curvature, vertical curvature, minimal curvature, maximal curvature, catchment area, and dispersive area. The morphometric maps obtained represent peculiarities of the Mercurian topography in different ways, according to the physical and mathematical sense of a particular variable. Geomorphometric models are a rich source of information on the Mercurian surface. These data can be utilized to study evolution and internal structure of the planet, for example, to visualize and quantify regional topographic differences as well as to refine geological boundaries.
Learning with hierarchical-deep models.
Salakhutdinov, Ruslan; Tenenbaum, Joshua B; Torralba, Antonio
2013-08-01
We introduce HD (or “Hierarchical-Deep”) models, a new compositional learning architecture that integrates deep learning models with structured hierarchical Bayesian (HB) models. Specifically, we show how we can learn a hierarchical Dirichlet process (HDP) prior over the activities of the top-level features in a deep Boltzmann machine (DBM). This compound HDP-DBM model learns to learn novel concepts from very few training example by learning low-level generic features, high-level features that capture correlations among low-level features, and a category hierarchy for sharing priors over the high-level features that are typical of different kinds of concepts. We present efficient learning and inference algorithms for the HDP-DBM model and show that it is able to learn new concepts from very few examples on CIFAR-100 object recognition, handwritten character recognition, and human motion capture datasets.
Multiscale Modeling of Microbial Communities
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
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.
Variational multiscale models for charge transport.
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
Variational multiscale models for charge transport
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
A multiscale model for virus capsid dynamics.
Chen, Changjun; Saxena, Rishu; Wei, Guo-Wei
2010-01-01
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.
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.
A hierarchical model for ordinal matrix factorization
DEFF Research Database (Denmark)
Paquet, Ulrich; Thomson, Blaise; Winther, Ole
2012-01-01
This paper proposes a hierarchical probabilistic model for ordinal matrix factorization. Unlike previous approaches, we model the ordinal nature of the data and take a principled approach to incorporating priors for the hidden variables. Two algorithms are presented for inference, one based...
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.
Novel multiscale modeling tool applied to Pseudomonas aeruginosa biofilm formation.
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.
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.
International Nuclear Information System (INIS)
Hamed, Elham; Novitskaya, Ekaterina; Li, Jun; Jasiuk, Iwona; McKittrick, Joanna
2015-01-01
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
Multiscale sampling model for motion integration.
Sherbakov, Lena; Yazdanbakhsh, Arash
2013-09-30
Biologically plausible strategies for visual scene integration across spatial and temporal domains continues to be a challenging topic. The fundamental question we address is whether classical problems in motion integration, such as the aperture problem, can be solved in a model that samples the visual scene at multiple spatial and temporal scales in parallel. We hypothesize that fast interareal connections that allow feedback of information between cortical layers are the key processes that disambiguate motion direction. We developed a neural model showing how the aperture problem can be solved using different spatial sampling scales between LGN, V1 layer 4, V1 layer 6, and area MT. Our results suggest that multiscale sampling, rather than feedback explicitly, is the key process that gives rise to end-stopped cells in V1 and enables area MT to solve the aperture problem without the need for calculating intersecting constraints or crafting intricate patterns of spatiotemporal receptive fields. Furthermore, the model explains why end-stopped cells no longer emerge in the absence of V1 layer 6 activity (Bolz & Gilbert, 1986), why V1 layer 4 cells are significantly more end-stopped than V1 layer 6 cells (Pack, Livingstone, Duffy, & Born, 2003), and how it is possible to have a solution to the aperture problem in area MT with no solution in V1 in the presence of driving feedback. In summary, while much research in the field focuses on how a laminar architecture can give rise to complicated spatiotemporal receptive fields to solve problems in the motion domain, we show that one can reframe motion integration as an emergent property of multiscale sampling achieved concurrently within lamina and across multiple visual areas.
A multiscale modeling approach for biomolecular systems
Energy Technology Data Exchange (ETDEWEB)
Bowling, Alan, E-mail: bowling@uta.edu; Haghshenas-Jaryani, Mahdi, E-mail: mahdi.haghshenasjaryani@mavs.uta.edu [The University of Texas at Arlington, Department of Mechanical and Aerospace Engineering (United States)
2015-04-15
This paper presents a new multiscale molecular dynamic model for investigating the effects of external interactions, such as contact and impact, during stepping and docking of motor proteins and other biomolecular systems. The model retains the mass properties ensuring that the result satisfies Newton’s second law. This idea is presented using a simple particle model to facilitate discussion of the rigid body model; however, the particle model does provide insights into particle dynamics at the nanoscale. The resulting three-dimensional model predicts a significant decrease in the effect of the random forces associated with Brownian motion. This conclusion runs contrary to the widely accepted notion that the motor protein’s movements are primarily the result of thermal effects. This work focuses on the mechanical aspects of protein locomotion; the effect ATP hydrolysis is estimated as internal forces acting on the mechanical model. In addition, the proposed model can be numerically integrated in a reasonable amount of time. Herein, the differences between the motion predicted by the old and new modeling approaches are compared using a simplified model of myosin V.
Hierarchical Context Modeling for Video Event Recognition.
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.
Efficient algorithms for multiscale modeling in porous media
Wheeler, Mary F.; Wildey, Tim; Xue, Guangri
2010-01-01
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.
Efficient algorithms for multiscale modeling in porous media
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.
Multiscale modeling of three-dimensional genome
Zhang, Bin; Wolynes, Peter
The genome, the blueprint of life, contains nearly all the information needed to build and maintain an entire organism. A comprehensive understanding of the genome is of paramount interest to human health and will advance progress in many areas, including life sciences, medicine, and biotechnology. The overarching goal of my research is to understand the structure-dynamics-function relationships of the human genome. In this talk, I will be presenting our efforts in moving towards that goal, with a particular emphasis on studying the three-dimensional organization, the structure of the genome with multi-scale approaches. Specifically, I will discuss the reconstruction of genome structures at both interphase and metaphase by making use of data from chromosome conformation capture experiments. Computationally modeling of chromatin fiber at atomistic level from first principles will also be presented as our effort for studying the genome structure from bottom up.
An approach to multiscale modelling with graph grammars.
Ong, Yongzhi; Streit, Katarína; Henke, Michael; Kurth, Winfried
2014-09-01
Functional-structural plant models (FSPMs) simulate biological processes at different spatial scales. Methods exist for multiscale data representation and modification, but the advantages of using multiple scales in the dynamic aspects of FSPMs remain unclear. Results from multiscale models in various other areas of science that share fundamental modelling issues with FSPMs suggest that potential advantages do exist, and this study therefore aims to introduce an approach to multiscale modelling in FSPMs. A three-part graph data structure and grammar is revisited, and presented with a conceptual framework for multiscale modelling. The framework is used for identifying roles, categorizing and describing scale-to-scale interactions, thus allowing alternative approaches to model development as opposed to correlation-based modelling at a single scale. Reverse information flow (from macro- to micro-scale) is catered for in the framework. The methods are implemented within the programming language XL. Three example models are implemented using the proposed multiscale graph model and framework. The first illustrates the fundamental usage of the graph data structure and grammar, the second uses probabilistic modelling for organs at the fine scale in order to derive crown growth, and the third combines multiscale plant topology with ozone trends and metabolic network simulations in order to model juvenile beech stands under exposure to a toxic trace gas. The graph data structure supports data representation and grammar operations at multiple scales. The results demonstrate that multiscale modelling is a viable method in FSPM and an alternative to correlation-based modelling. Advantages and disadvantages of multiscale modelling are illustrated by comparisons with single-scale implementations, leading to motivations for further research in sensitivity analysis and run-time efficiency for these models.
Hierarchical Bayesian Models of Subtask Learning
Anglim, Jeromy; Wynton, Sarah K. A.
2015-01-01
The current study used Bayesian hierarchical methods to challenge and extend previous work on subtask learning consistency. A general model of individual-level subtask learning was proposed focusing on power and exponential functions with constraints to test for inconsistency. To study subtask learning, we developed a novel computer-based booking…
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.
Multiscale Modeling of Mesoscale and Interfacial Phenomena
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.
International Nuclear Information System (INIS)
Katz, J. Lawrence; Misra, Anil; Spencer, Paulette; Wang, Yong; Bumrerraj, Sauwanan; Nomura, Tsutomu; Eppell, Steven J.; Tabib-Azar, Massood
2007-01-01
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
Model-to-model interface for multiscale materials modeling
Energy Technology Data Exchange (ETDEWEB)
Antonelli, Perry Edward [Iowa State Univ., Ames, IA (United States)
2017-12-17
A low-level model-to-model interface is presented that will enable independent models to be linked into an integrated system of models. The interface is based on a standard set of functions that contain appropriate export and import schemas that enable models to be linked with no changes to the models themselves. These ideas are presented in the context of a specific multiscale material problem that couples atomistic-based molecular dynamics calculations to continuum calculations of fluid ow. These simulations will be used to examine the influence of interactions of the fluid with an adjacent solid on the fluid ow. The interface will also be examined by adding it to an already existing modeling code, Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) and comparing it with our own molecular dynamics code.
Topic Modeling of Hierarchical Corpora /
Kim, Do-kyum
2014-01-01
The sizes of modern digital libraries have grown beyond our capacity to comprehend manually. Thus we need new tools to help us in organizing and browsing large corpora of text that do not require manually examining each document. To this end, machine learning researchers have developed topic models, statistical learning algorithms for automatic comprehension of large collections of text. Topic models provide both global and local views of a corpus; they discover topics that run through the co...
AN INTEGER PROGRAMMING MODEL FOR HIERARCHICAL WORKFORCE
Directory of Open Access Journals (Sweden)
BANU SUNGUR
2013-06-01
Full Text Available The model presented in this paper is based on the model developed by Billionnet for the hierarchical workforce problem. In Billionnet’s Model, while determining the workers’ weekly costs, weekly working hours of workers are not taken into consideration. In our model, the weekly costs per worker are reduced in proportion to the working hours per week. Our model is illustrated on the Billionnet’s Example. The models in question are compared and evaluated on the basis of the results obtained from the example problem. A reduction is achieved in the total cost by the proposed model.
Multi-scale modeling strategies in materials science—The ...
Indian Academy of Sciences (India)
Unknown
Multi-scale models; quasicontinuum method; finite elements. 1. Introduction ... boundary with external stresses, and the interaction of a lattice dislocation with a grain ..... mum value of se over the elements that touch node α. The acceleration of ...
Predicting FLDs Using a Multiscale Modeling Scheme
Wu, Z.; Loy, C.; Wang, E.; Hegadekatte, V.
2017-09-01
The measurement of a single forming limit diagram (FLD) requires significant resources and is time consuming. We have developed a multiscale modeling scheme to predict FLDs using a combination of limited laboratory testing, crystal plasticity (VPSC) modeling, and dual sequential-stage finite element (ABAQUS/Explicit) modeling with the Marciniak-Kuczynski (M-K) criterion to determine the limit strain. We have established a means to work around existing limitations in ABAQUS/Explicit by using an anisotropic yield locus (e.g., BBC2008) in combination with the M-K criterion. We further apply a VPSC model to reduce the number of laboratory tests required to characterize the anisotropic yield locus. In the present work, we show that the predicted FLD is in excellent agreement with the measured FLD for AA5182 in the O temper. Instead of 13 different tests as for a traditional FLD determination within Novelis, our technique uses just four measurements: tensile properties in three orientations; plane strain tension; biaxial bulge; and the sheet crystallographic texture. The turnaround time is consequently far less than for the traditional laboratory measurement of the FLD.
Li, Yongbo; Li, Guoyan; Yang, Yuantao; Liang, Xihui; Xu, Minqiang
2018-05-01
The fault diagnosis of planetary gearboxes is crucial to reduce the maintenance costs and economic losses. This paper proposes a novel fault diagnosis method based on adaptive multi-scale morphological filter (AMMF) and modified hierarchical permutation entropy (MHPE) to identify the different health conditions of planetary gearboxes. In this method, AMMF is firstly adopted to remove the fault-unrelated components and enhance the fault characteristics. Second, MHPE is utilized to extract the fault features from the denoised vibration signals. Third, Laplacian score (LS) approach is employed to refine the fault features. In the end, the obtained features are fed into the binary tree support vector machine (BT-SVM) to accomplish the fault pattern identification. The proposed method is numerically and experimentally demonstrated to be able to recognize the different fault categories of planetary gearboxes.
Multiscale modeling of polyisoprene on graphite
International Nuclear Information System (INIS)
Pandey, Yogendra Narayan; Brayton, Alexander; Doxastakis, Manolis; Burkhart, Craig; Papakonstantopoulos, George J.
2014-01-01
The local dynamics and the conformational properties of polyisoprene next to a smooth graphite surface constructed by graphene layers are studied by a multiscale methodology. First, fully atomistic molecular dynamics simulations of oligomers next to the surface are performed. Subsequently, Monte Carlo simulations of a systematically derived coarse-grained model generate numerous uncorrelated structures for polymer systems. A new reverse backmapping strategy is presented that reintroduces atomistic detail. Finally, multiple extensive fully atomistic simulations with large systems of long macromolecules are employed to examine local dynamics in proximity to graphite. Polyisoprene repeat units arrange close to a parallel configuration with chains exhibiting a distribution of contact lengths. Efficient Monte Carlo algorithms with the coarse-grain model are capable of sampling these distributions for any molecular weight in quantitative agreement with predictions from atomistic models. Furthermore, molecular dynamics simulations with well-equilibrated systems at all length-scales support an increased dynamic heterogeneity that is emerging from both intermolecular interactions with the flat surface and intramolecular cooperativity. This study provides a detailed comprehensive picture of polyisoprene on a flat surface and consists of an effort to characterize such systems in atomistic detail
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].
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.
Microphysics in Multi-scale Modeling System with Unified Physics
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.
Multiscale Modeling of UHTC: Thermal Conductivity
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.
Multiscale modeling of radiation damage in Fe-based alloys in the fusion environment
International Nuclear Information System (INIS)
Wirth, B.D.; Odette, G.R.; Marian, J.; Ventelon, L.; Young-Vandersall, J.A.; Zepeda-Ruiz, L.A.
2004-01-01
Ferritic alloys represent a technologically important class of candidate materials for fusion first wall and blanket structures. A detailed understanding of the mechanisms of defect accumulation and microstructure evolution, and the corresponding effects on mechanical properties is required to predict their in-service structural performance limits. The physical processes involved in radiation damage, and its effects on mechanical properties, are inherently multiscale and hierarchical, spanning length and time scales from the atomic nucleus to meters and picosecond to decades. In this paper, we present a multiscale modeling methodology to describe radiation effects within the fusion energy environment. Selected results from atomic scale investigation are presented, focusing on (i) the mechanisms of self-interstitial dislocation loop formation with Burgers vector of a in iron relative to vanadium, (ii) helium transport and (iii) the interaction between helium and small self-interstitial clusters in iron, and (iv) dislocation-helium bubble interactions in fcc aluminum
Internet advertising effectiveness by using hierarchical model
RAHMANI, Samaneh
2015-01-01
Abstract. Present paper has been developed with the title of internet advertising effectiveness by using hierarchical model. Presenting the question: Today Internet is an important channel in marketing and advertising. The reason for this could be the ability of the Internet to reduce costs and people’s access to online services[1]. Also advertisers can easily access a multitude of users and communicate with them at low cost [9]. On the other hand, compared to traditional advertising, interne...
A Hierarchical Agency Model of Deposit Insurance
Jonathan Carroll; Shino Takayama
2010-01-01
This paper develops a hierarchical agency model of deposit insurance. The main purpose is to undertake a game theoretic analysis of the consequences of deposit insurance schemes and their effects on monitoring incentives for banks. Using this simple framework, we analyze both risk- independent and risk-dependent premium schemes along with reserve requirement constraints. The results provide policymakers with not only a better understanding of the effects of deposit insurance on welfare and th...
Distributed multiscale computing
Borgdorff, J.
2014-01-01
Multiscale models combine knowledge, data, and hypotheses from different scales. Simulating a multiscale model often requires extensive computation. This thesis evaluates distributing these computations, an approach termed distributed multiscale computing (DMC). First, the process of multiscale
Action detection by double hierarchical multi-structure space-time statistical matching model
Han, Jing; Zhu, Junwei; Cui, Yiyin; Bai, Lianfa; Yue, Jiang
2018-03-01
Aimed at the complex information in videos and low detection efficiency, an actions detection model based on neighboring Gaussian structure and 3D LARK features is put forward. We exploit a double hierarchical multi-structure space-time statistical matching model (DMSM) in temporal action localization. First, a neighboring Gaussian structure is presented to describe the multi-scale structural relationship. Then, a space-time statistical matching method is proposed to achieve two similarity matrices on both large and small scales, which combines double hierarchical structural constraints in model by both the neighboring Gaussian structure and the 3D LARK local structure. Finally, the double hierarchical similarity is fused and analyzed to detect actions. Besides, the multi-scale composite template extends the model application into multi-view. Experimental results of DMSM on the complex visual tracker benchmark data sets and THUMOS 2014 data sets show the promising performance. Compared with other state-of-the-art algorithm, DMSM achieves superior performances.
Lyu, Dandan; Li, Shaofan
2017-10-01
Crystal defects have microstructure, and this microstructure should be related to the microstructure of the original crystal. Hence each type of crystals may have similar defects due to the same failure mechanism originated from the same microstructure, if they are under the same loading conditions. In this work, we propose a multiscale crystal defect dynamics (MCDD) model that models defects by considering its intrinsic microstructure derived from the microstructure or material genome of the original perfect crystal. The main novelties of present work are: (1) the discrete exterior calculus and algebraic topology theory are used to construct a scale-up (coarse-grained) dual lattice model for crystal defects, which may represent all possible defect modes inside a crystal; (2) a higher order Cauchy-Born rule (up to the fourth order) is adopted to construct atomistic-informed constitutive relations for various defect process zones, and (3) an hierarchical strain gradient theory based finite element formulation is developed to support an hierarchical multiscale cohesive (process) zone model for various defects in a unified formulation. The efficiency of MCDD computational algorithm allows us to simulate dynamic defect evolution at large scale while taking into account atomistic interaction. The MCDD model has been validated by comparing of the results of MCDD simulations with that of molecular dynamics (MD) in the cases of nanoindentation and uniaxial tension. Numerical simulations have shown that MCDD model can predict dislocation nucleation induced instability and inelastic deformation, and thus it may provide an alternative solution to study crystal plasticity.
Integrated multiscale modeling of molecular computing devices
International Nuclear Information System (INIS)
Cummings, Peter T; Leng Yongsheng
2005-01-01
Molecular electronics, in which single organic molecules are designed to perform the functions of transistors, diodes, switches and other circuit elements used in current siliconbased microelecronics, is drawing wide interest as a potential replacement technology for conventional silicon-based lithographically etched microelectronic devices. In addition to their nanoscopic scale, the additional advantage of molecular electronics devices compared to silicon-based lithographically etched devices is the promise of being able to produce them cheaply on an industrial scale using wet chemistry methods (i.e., self-assembly from solution). The design of molecular electronics devices, and the processes to make them on an industrial scale, will require a thorough theoretical understanding of the molecular and higher level processes involved. Hence, the development of modeling techniques for molecular electronics devices is a high priority from both a basic science point of view (to understand the experimental studies in this field) and from an applied nanotechnology (manufacturing) point of view. Modeling molecular electronics devices requires computational methods at all length scales - electronic structure methods for calculating electron transport through organic molecules bonded to inorganic surfaces, molecular simulation methods for determining the structure of self-assembled films of organic molecules on inorganic surfaces, mesoscale methods to understand and predict the formation of mesoscale patterns on surfaces (including interconnect architecture), and macroscopic scale methods (including finite element methods) for simulating the behavior of molecular electronic circuit elements in a larger integrated device. Here we describe a large Department of Energy project involving six universities and one national laboratory aimed at developing integrated multiscale methods for modeling molecular electronics devices. The project is funded equally by the Office of Basic
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.
Hierarchic modeling of heat exchanger thermal hydraulics
International Nuclear Information System (INIS)
Horvat, A.; Koncar, B.
2002-01-01
Volume Averaging Technique (VAT) is employed in order to model the heat exchanger cross-flow as a porous media flow. As the averaging of the transport equations lead to a closure problem, separate relations are introduced to model interphase momentum and heat transfer between fluid flow and the solid structure. The hierarchic modeling is used to calculate the local drag coefficient C d as a function of Reynolds number Re h . For that purpose a separate model of REV is built and DNS of flow through REV is performed. The local values of heat transfer coefficient h are obtained from available literature. The geometry of the simulation domain and boundary conditions follow the geometry of the experimental test section used at U.C.L.A. The calculated temperature fields reveal that the geometry with denser pin-fins arrangement (HX1) heats fluid flow faster. The temperature field in the HX2 exhibits the formation of thermal boundary layer between pin-fins, which has a significant role in overall thermal performance of the heat exchanger. Although presented discrepancies of the whole-section drag coefficient C d are large, we believe that hierarchic modeling is an appropriate strategy for calculation of complex transport phenomena in heat exchanger geometries.(author)
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...
Foundations for a multiscale collaborative Earth model
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.
Multiscale modeling of transdermal drug delivery
Rim, Jee Eun
2006-04-01
This study addresses the modeling of transdermal diffusion of drugs, to better understand the permeation of molecules through the skin, and especially the stratum corneum, which forms the main permeation barrier of the skin. In transdermal delivery of systemic drugs, the drugs diffuse from a patch placed on the skin through the epidermis to the underlying blood vessels. The epidermis is the outermost layer of the skin and can be further divided into the stratum corneum (SC) and the viable epidermis layers. The SC consists of keratinous cells (corneocytes) embedded in the lipid multi-bilayers of the intercellular space. It is widely accepted that the barrier properties of the skin mostly arises from the ordered structure of the lipid bilayers. The diffusion path, at least for lipophilic molecules, seems to be mainly through the lipid bilayers. Despite the advantages of transdermal drug delivery compared to other drug delivery routes such as oral dosing and injections, the low percutaneous permeability of most compounds is a major difficulty in the wide application of transdermal drug delivery. In fact, many transdermal drug formulations include one or more permeation enhancers that increase the permeation of the drug significantly. During the last two decades, many researchers have studied percutaneous absorption of drugs both experimentally and theoretically. However, many are based on pharmacokinetic compartmental models, in which steady or pseudo-steady state conditions are assumed, with constant diffusivity and partitioning for single component systems. This study presents a framework for studying the multi-component diffusion of drugs coupled with enhancers through the skin by considering the microstructure of the stratum corneum (SC). A multiscale framework of modeling the transdermal diffusion of molecules is presented, by first calculating the microscopic diffusion coefficient in the lipid bilayers of the SC using molecular dynamics (MD). Then a
Multiscale modeling of complex materials phenomenological, theoretical and computational aspects
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.
Hierarchical detection of red lesions in retinal images by multiscale correlation filtering
Zhang, Bob; Wu, Xiangqian; You, Jane; Li, Qin; Karray, Fakhri
2009-02-01
This paper presents an approach to the computer aided diagnosis (CAD) of diabetic retinopathy (DR) -- a common and severe complication of long-term diabetes which damages the retina and cause blindness. Since red lesions are regarded as the first signs of DR, there has been extensive research on effective detection and localization of these abnormalities in retinal images. In contrast to existing algorithms, a new approach based on Multiscale Correlation Filtering (MSCF) and dynamic thresholding is developed. This consists of two levels, Red Lesion Candidate Detection (coarse level) and True Red Lesion Detection (fine level). The approach was evaluated using data from Retinopathy On-line Challenge (ROC) competition website and we conclude our method to be effective and efficient.
Computer-Aided Multiscale Modelling for Chemical Process Engineering
DEFF Research Database (Denmark)
Morales Rodriguez, Ricardo; Gani, Rafiqul
2007-01-01
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...
Galactic chemical evolution in hierarchical formation models
Arrigoni, Matias
2010-10-01
The chemical properties and abundance ratios of galaxies provide important information about their formation histories. Galactic chemical evolution has been modelled in detail within the monolithic collapse scenario. These models have successfully described the abundance distributions in our Galaxy and other spiral discs, as well as the trends of metallicity and abundance ratios observed in early-type galaxies. In the last three decades, however, the paradigm of hierarchical assembly in a Cold Dark Matter (CDM) cosmology has revised the picture of how structure in the Universe forms and evolves. In this scenario, galaxies form when gas radiatively cools and condenses inside dark matter haloes, which themselves follow dissipationless gravitational collapse. The CDM picture has been successful at predicting many observed properties of galaxies (for example, the luminosity and stellar mass function of galaxies, color-magnitude or star formation rate vs. stellar mass distributions, relative numbers of early and late-type galaxies, gas fractions and size distributions of spiral galaxies, and the global star formation history), though many potential problems and open questions remain. It is therefore interesting to see whether chemical evolution models, when implemented within this modern cosmological context, are able to correctly predict the observed chemical properties of galaxies. With the advent of more powerfull telescopes and detectors, precise observations of chemical abundances and abundance ratios in various phases (stellar, ISM, ICM) offer the opportunity to obtain strong constraints on galaxy formation histories and the physics that shapes them. However, in order to take advantage of these observations, it is necessary to implement detailed modeling of chemical evolution into a modern cosmological model of hierarchical assembly.
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.
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.
A Liver-centric Multiscale Modeling Framework for Xenobiotics
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...
Hierarchical Multinomial Processing Tree Models: A Latent-Trait Approach
Klauer, Karl Christoph
2010-01-01
Multinomial processing tree models are widely used in many areas of psychology. A hierarchical extension of the model class is proposed, using a multivariate normal distribution of person-level parameters with the mean and covariance matrix to be estimated from the data. The hierarchical model allows one to take variability between persons into…
Multiscale model reduction for shale gas transport in fractured media
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
Multiscale mining of fMRI data with hierarchical structured sparsity
International Nuclear Information System (INIS)
Jenatton, R.; Obozinski, G.; Bach, F.; Gramfort, Alexandre; Michel, Vincent; Thirion, Bertrand; Eger, Evelyne
2012-01-01
Reverse inference, or 'brain reading', is a recent paradigm for analyzing functional magnetic resonance imaging (fMRI) data, based on pattern recognition and statistical learning. By predicting some cognitive variables related to brain activation maps, this approach aims at decoding brain activity. Reverse inference takes into account the multivariate information between voxels and is currently the only way to assess how precisely some cognitive information is encoded by the activity of neural populations within the whole brain. However, it relies on a prediction function that is plagued by the curse of dimensionality, since there are far more features than samples, i.e., more voxels than fMRI volumes. To address this problem, different methods have been proposed, such as, among others, univariate feature selection, feature agglomeration and regularization techniques. In this paper, we consider a sparse hierarchical structured regularization. Specifically, the penalization we use is constructed from a tree that is obtained by spatially-constrained agglomerative clustering. This approach encodes the spatial structure of the data at different scales into the regularization, which makes the overall prediction procedure more robust to inter-subject variability. The regularization used induces the selection of spatially coherent predictive brain regions simultaneously at different scales. We test our algorithm on real data acquired to study the mental representation of objects, and we show that the proposed algorithm not only delineates meaningful brain regions but yields as well better prediction accuracy than reference methods. (authors)
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.
Wang, Pengwei; Zhao, Tianyi; Bian, Ruixin; Wang, Guangyan; Liu, Huan
2017-12-26
Superhydrophobic carbon nanotube (CNT) films have demonstrated many fascinating performances in versatile applications, especially for those involving solid/liquid interfacial processes, because of their ability to affect the material/energy transfer at interfaces. Thus, developing superhydrophobic CNTs has attracted extensive research interests in the past decades, and it could be achieved either by surface coating of low-free energy materials or by constructing micro/nanohierarchical structures via various complicated processes. So far, developing a simple approach to fabricate stable superhydrophobic CNTs remains a challenge because the capillary force induced coalescence frequently happens when interacting with liquid. Herein, drawing inspirations from the lotus leaf, we proposed a simple one-step chemical vapor deposition approach with programmable controlled gas flow to directly fabricate a CNT film with rather stable superhydrophobicity, which can effectively prevent even small water droplets from permeating into the film. The robust superhydrophobicity was attributable to typical lotus-leaf-like micro/nanoscale hierarchical surface structures of the CNT film, where many microscale clusters composed of entangled nanotubes randomly protrude out of the under-layer aligned nanotubes. Consequently, dual-scale air pockets were trapped within each microscale CNT cluster and between, which could largely reduce the liquid/solid interface, leading to a Cassie state. Moreover, the superhydrophobicity of the CNT film showed excellent durability after long time exposure to air and even to corrosive liquids with a wide range of pH values. We envision that the approach developed is advantageous for versatile physicochemical interfacial processes, such as drag reduction, electrochemical catalysis, anti-icing, and biosensors.
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.
ANALYSIS/MODEL COVER SHEET, MULTISCALE THERMOHYDROLOGIC MODEL
International Nuclear Information System (INIS)
Buscheck, T.A.
2001-01-01
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 andO 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
A hierarchical stochastic model for bistable perception.
Directory of Open Access Journals (Sweden)
Stefan Albert
2017-11-01
Full Text Available Viewing of ambiguous stimuli can lead to bistable perception alternating between the possible percepts. During continuous presentation of ambiguous stimuli, percept changes occur as single events, whereas during intermittent presentation of ambiguous stimuli, percept changes occur at more or less regular intervals either as single events or bursts. Response patterns can be highly variable and have been reported to show systematic differences between patients with schizophrenia and healthy controls. Existing models of bistable perception often use detailed assumptions and large parameter sets which make parameter estimation challenging. Here we propose a parsimonious stochastic model that provides a link between empirical data analysis of the observed response patterns and detailed models of underlying neuronal processes. Firstly, we use a Hidden Markov Model (HMM for the times between percept changes, which assumes one single state in continuous presentation and a stable and an unstable state in intermittent presentation. The HMM captures the observed differences between patients with schizophrenia and healthy controls, but remains descriptive. Therefore, we secondly propose a hierarchical Brownian model (HBM, which produces similar response patterns but also provides a relation to potential underlying mechanisms. The main idea is that neuronal activity is described as an activity difference between two competing neuronal populations reflected in Brownian motions with drift. This differential activity generates switching between the two conflicting percepts and between stable and unstable states with similar mechanisms on different neuronal levels. With only a small number of parameters, the HBM can be fitted closely to a high variety of response patterns and captures group differences between healthy controls and patients with schizophrenia. At the same time, it provides a link to mechanistic models of bistable perception, linking the group
A hierarchical stochastic model for bistable perception.
Albert, Stefan; Schmack, Katharina; Sterzer, Philipp; Schneider, Gaby
2017-11-01
Viewing of ambiguous stimuli can lead to bistable perception alternating between the possible percepts. During continuous presentation of ambiguous stimuli, percept changes occur as single events, whereas during intermittent presentation of ambiguous stimuli, percept changes occur at more or less regular intervals either as single events or bursts. Response patterns can be highly variable and have been reported to show systematic differences between patients with schizophrenia and healthy controls. Existing models of bistable perception often use detailed assumptions and large parameter sets which make parameter estimation challenging. Here we propose a parsimonious stochastic model that provides a link between empirical data analysis of the observed response patterns and detailed models of underlying neuronal processes. Firstly, we use a Hidden Markov Model (HMM) for the times between percept changes, which assumes one single state in continuous presentation and a stable and an unstable state in intermittent presentation. The HMM captures the observed differences between patients with schizophrenia and healthy controls, but remains descriptive. Therefore, we secondly propose a hierarchical Brownian model (HBM), which produces similar response patterns but also provides a relation to potential underlying mechanisms. The main idea is that neuronal activity is described as an activity difference between two competing neuronal populations reflected in Brownian motions with drift. This differential activity generates switching between the two conflicting percepts and between stable and unstable states with similar mechanisms on different neuronal levels. With only a small number of parameters, the HBM can be fitted closely to a high variety of response patterns and captures group differences between healthy controls and patients with schizophrenia. At the same time, it provides a link to mechanistic models of bistable perception, linking the group differences to
Multiscale geometric modeling of macromolecules II: Lagrangian representation
Feng, Xin; Xia, Kelin; Chen, Zhan; Tong, Yiying; Wei, Guo-Wei
2013-01-01
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-EM, 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, while our coarse resolution representations highlight the compatibility of protein-ligand bindings and possibility of protein-protein interactions. PMID:23813599
Constructive Epistemic Modeling: A Hierarchical Bayesian Model Averaging Method
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.
Bayesian hierarchical modelling of North Atlantic windiness
Vanem, E.; Breivik, O. N.
2013-03-01
Extreme weather conditions represent serious natural hazards to ship operations and may be the direct cause or contributing factor to maritime accidents. Such severe environmental conditions can be taken into account in ship design and operational windows can be defined that limits hazardous operations to less extreme conditions. Nevertheless, possible changes in the statistics of extreme weather conditions, possibly due to anthropogenic climate change, represent an additional hazard to ship operations that is less straightforward to account for in a consistent way. Obviously, there are large uncertainties as to how future climate change will affect the extreme weather conditions at sea and there is a need for stochastic models that can describe the variability in both space and time at various scales of the environmental conditions. Previously, Bayesian hierarchical space-time models have been developed to describe the variability and complex dependence structures of significant wave height in space and time. These models were found to perform reasonably well and provided some interesting results, in particular, pertaining to long-term trends in the wave climate. In this paper, a similar framework is applied to oceanic windiness and the spatial and temporal variability of the 10-m wind speed over an area in the North Atlantic ocean is investigated. When the results from the model for North Atlantic windiness is compared to the results for significant wave height over the same area, it is interesting to observe that whereas an increasing trend in significant wave height was identified, no statistically significant long-term trend was estimated in windiness. This may indicate that the increase in significant wave height is not due to an increase in locally generated wind waves, but rather to increased swell. This observation is also consistent with studies that have suggested a poleward shift of the main storm tracks.
Bayesian hierarchical modelling of North Atlantic windiness
Directory of Open Access Journals (Sweden)
E. Vanem
2013-03-01
Full Text Available Extreme weather conditions represent serious natural hazards to ship operations and may be the direct cause or contributing factor to maritime accidents. Such severe environmental conditions can be taken into account in ship design and operational windows can be defined that limits hazardous operations to less extreme conditions. Nevertheless, possible changes in the statistics of extreme weather conditions, possibly due to anthropogenic climate change, represent an additional hazard to ship operations that is less straightforward to account for in a consistent way. Obviously, there are large uncertainties as to how future climate change will affect the extreme weather conditions at sea and there is a need for stochastic models that can describe the variability in both space and time at various scales of the environmental conditions. Previously, Bayesian hierarchical space-time models have been developed to describe the variability and complex dependence structures of significant wave height in space and time. These models were found to perform reasonably well and provided some interesting results, in particular, pertaining to long-term trends in the wave climate. In this paper, a similar framework is applied to oceanic windiness and the spatial and temporal variability of the 10-m wind speed over an area in the North Atlantic ocean is investigated. When the results from the model for North Atlantic windiness is compared to the results for significant wave height over the same area, it is interesting to observe that whereas an increasing trend in significant wave height was identified, no statistically significant long-term trend was estimated in windiness. This may indicate that the increase in significant wave height is not due to an increase in locally generated wind waves, but rather to increased swell. This observation is also consistent with studies that have suggested a poleward shift of the main storm tracks.
Multiscale modeling of radiation effects in nuclear reactor structural materials
Energy Technology Data Exchange (ETDEWEB)
Kwon, Junhyun [Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of)
2015-10-15
Most problems in irradiated materials originate from the atomic collision of high-energy particles and lattice atoms. This collision leads to displacement cascades through the energy transfer reaction and causes various types of defects such as vacancies, interstitials, and clusters. The behavior of the point defects created in the displacement cascades is important because these defects play a major role in a microstructural evolution and further affect the changes in material properties. Rapid advances have been made in the computational capabilities for a realistic simulation of complex physical phenomena, such as irradiation and aging effects. At the same time, progress has been made in understanding the effect of radiation in metals, especially iron-based alloys. In this work, we present some of our ongoing work in this area, which illustrates a multiscale modeling for evaluating a microstructural evolution and mechanical property changes during irradiation. Multiscale modeling approaches are briefly presented here in the following order: nuclear interaction, atomic-level interaction, atomistic modeling, microstructural evolution modeling and mechanical property modeling. This is one of many possible methods for classifying techniques. The effort in developing physical multiscale models applied to radiation damage has been focused on a single crystal or single-grain materials.
Multiscale Modeling of Composites: Toward Virtual Testing … and Beyond
LLorca, J.; González, C.; Molina-Aldareguía, J. M.; Lópes, C. S.
2013-02-01
Recent developments in the area of multiscale modeling of fiber-reinforced polymers are presented. The overall strategy takes advantage of the separation of length scales between different entities (ply, laminate, and component) found in composite structures. This allows us to carry out multiscale modeling by computing the properties of one entity (e.g., individual plies) at the relevant length scale, homogenizing the results into a constitutive model, and passing this information to the next length scale to determine the mechanical behavior of the larger entity (e.g., laminate). As a result, high-fidelity numerical simulations of the mechanical behavior of composite coupons and small components are nowadays feasible starting from the matrix, fiber, and interface properties and spatial distribution. Finally, the roadmap is outlined for extending the current strategy to include functional properties and processing into the simulation scheme.
Multiscale computer modeling in biomechanics and biomedical engineering
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.
Hierarchical material models for fragmentation modeling in NIF-ALE-AMR
International Nuclear Information System (INIS)
Fisher, A C; Masters, N D; Koniges, A E; Anderson, R W; Gunney, B T N; Wang, P; Becker, R; Dixit, P; Benson, D J
2008-01-01
Fragmentation is a fundamental process that naturally spans micro to macroscopic scales. Recent advances in algorithms, computer simulations, and hardware enable us to connect the continuum to microstructural regimes in a real simulation through a heterogeneous multiscale mathematical model. We apply this model to the problem of predicting how targets in the NIF chamber dismantle, so that optics and diagnostics can be protected from damage. The mechanics of the initial material fracture depend on the microscopic grain structure. In order to effectively simulate the fragmentation, this process must be modeled at the subgrain level with computationally expensive crystal plasticity models. However, there are not enough computational resources to model the entire NIF target at this microscopic scale. In order to accomplish these calculations, a hierarchical material model (HMM) is being developed. The HMM will allow fine-scale modeling of the initial fragmentation using computationally expensive crystal plasticity, while the elements at the mesoscale can use polycrystal models, and the macroscopic elements use analytical flow stress models. The HMM framework is built upon an adaptive mesh refinement (AMR) capability. We present progress in implementing the HMM in the NIF-ALE-AMR code. Additionally, we present test simulations relevant to NIF targets
Hierarchical material models for fragmentation modeling in NIF-ALE-AMR
Energy Technology Data Exchange (ETDEWEB)
Fisher, A C; Masters, N D; Koniges, A E; Anderson, R W; Gunney, B T N; Wang, P; Becker, R [Lawrence Livermore National Laboratory, PO Box 808, Livermore, CA 94551 (United States); Dixit, P; Benson, D J [University of California San Diego, 9500 Gilman Dr., La Jolla. CA 92093 (United States)], E-mail: fisher47@llnl.gov
2008-05-15
Fragmentation is a fundamental process that naturally spans micro to macroscopic scales. Recent advances in algorithms, computer simulations, and hardware enable us to connect the continuum to microstructural regimes in a real simulation through a heterogeneous multiscale mathematical model. We apply this model to the problem of predicting how targets in the NIF chamber dismantle, so that optics and diagnostics can be protected from damage. The mechanics of the initial material fracture depend on the microscopic grain structure. In order to effectively simulate the fragmentation, this process must be modeled at the subgrain level with computationally expensive crystal plasticity models. However, there are not enough computational resources to model the entire NIF target at this microscopic scale. In order to accomplish these calculations, a hierarchical material model (HMM) is being developed. The HMM will allow fine-scale modeling of the initial fragmentation using computationally expensive crystal plasticity, while the elements at the mesoscale can use polycrystal models, and the macroscopic elements use analytical flow stress models. The HMM framework is built upon an adaptive mesh refinement (AMR) capability. We present progress in implementing the HMM in the NIF-ALE-AMR code. Additionally, we present test simulations relevant to NIF targets.
What are hierarchical models and how do we analyze them?
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)
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.
The Revised Hierarchical Model: A critical review and assessment
Kroll, Judith F.; van Hell, Janet G.; Tokowicz, Natasha; Green, David W.
2010-01-01
Brysbaert and Duyck (2009) 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 nonselective access in bilingual word recognition. In this brief response, we first review the history of the Revised Hierarchical Model (RHM), consider the set of issues that it was proposed to address, and then evaluate the evidence that supp...
Hierarchical regression analysis in structural Equation Modeling
de Jong, P.F.
1999-01-01
In a hierarchical or fixed-order regression analysis, the independent variables are entered into the regression equation in a prespecified order. Such an analysis is often performed when the extra amount of variance accounted for in a dependent variable by a specific independent variable is the main
Numerical Simulations of a Multiscale Model of Stratified Langmuir Circulation
Malecha, Ziemowit; Chini, Gregory; Julien, Keith
2012-11-01
Langmuir circulation (LC), a prominent form of wind and surface-wave driven shear turbulence in the ocean surface boundary layer (BL), is commonly modeled using the Craik-Leibovich (CL) equations, a phase-averaged variant of the Navier-Stokes (NS) equations. Although surface-wave filtering renders the CL equations more amenable to simulation than are the instantaneous NS equations, simulations in wide domains, hundreds of times the BL depth, currently earn the ``grand challenge'' designation. To facilitate simulations of LC in such spatially-extended domains, we have derived multiscale CL equations by exploiting the scale separation between submesoscale and BL flows in the upper ocean. The numerical algorithm for simulating this multiscale model resembles super-parameterization schemes used in meteorology, but retains a firm mathematical basis. We have validated our algorithm and here use it to perform multiscale simulations of the interaction between LC and upper ocean density stratification. ZMM, GPC, KJ gratefully acknowledge funding from NSF CMG Award 0934827.
Slow logarithmic relaxation in models with hierarchically constrained dynamics
Brey, J. J.; Prados, A.
2000-01-01
A general kind of models with hierarchically constrained dynamics is shown to exhibit logarithmic anomalous relaxation, similarly to a variety of complex strongly interacting materials. The logarithmic behavior describes most of the decay of the response function.
Bayesian disease mapping: hierarchical modeling in spatial epidemiology
National Research Council Canada - National Science Library
Lawson, Andrew
2013-01-01
.... Exploring these new developments, Bayesian Disease Mapping: Hierarchical Modeling in Spatial Epidemiology, Second Edition provides an up-to-date, cohesive account of the full range of Bayesian disease mapping methods and applications...
Multiscale modelling and experimentation of hydrogen embrittlement in aerospace materials
Jothi, Sathiskumar
Pulse plated nickel and nickel based superalloys have been used extensively in the Ariane 5 space launcher engines. Large structural Ariane 5 space launcher engine components such as combustion chambers with complex microstructures have usually been manufactured using electrodeposited nickel with advanced pulse plating techniques with smaller parts made of nickel based superalloys joined or welded to the structure to fabricate Ariane 5 space launcher engines. One of the major challenges in manufacturing these space launcher components using newly developed materials is a fundamental understanding of how different materials and microstructures react with hydrogen during welding which can lead to hydrogen induced cracking. The main objective of this research has been to examine and interpret the effects of microstructure on hydrogen diffusion and hydrogen embrittlement in (i) nickel based superalloy 718, (ii) established and (iii) newly developed grades of pulse plated nickel used in the Ariane 5 space launcher engine combustion chamber. Also, the effect of microstructures on hydrogen induced hot and cold cracking and weldability of three different grades of pulse plated nickel were investigated. Multiscale modelling and experimental methods have been used throughout. The effect of microstructure on hydrogen embrittlement was explored using an original multiscale numerical model (exploiting synthetic and real microstructures) and a wide range of material characterization techniques including scanning electron microscopy, 2D and 3D electron back scattering diffraction, in-situ and ex-situ hydrogen charged slow strain rate tests, thermal spectroscopy analysis and the Varestraint weldability test. This research shows that combined multiscale modelling and experimentation is required for a fundamental understanding of microstructural effects in hydrogen embrittlement in these materials. Methods to control the susceptibility to hydrogen induced hot and cold cracking and
Quantum Ising model on hierarchical structures
International Nuclear Information System (INIS)
Lin Zhifang; Tao Ruibao.
1989-11-01
A quantum Ising chain with both the exchange couplings and the transverse fields arranged in a hierarchical way is considered. Exact analytical results for the critical line and energy gap are obtained. It is shown that when R 1 not= R 2 , where R 1 and R 2 are the hierarchical parameters for the exchange couplings and the transverse fields, respectively, the system undergoes a phase transition in a different universality class from the pure quantum Ising chain with R 1 =R 2 =1. On the other hand, when R 1 =R 2 =R, there exists a critical value R c dependent on the furcating number of the hierarchy. In case of R > R c , the system is shown to exhibit as Ising-like critical point with the critical behaviour the same as in the pure case, while for R c the system belongs to another universality class. (author). 19 refs, 2 figs
Road network safety evaluation using Bayesian hierarchical joint model.
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. Copyright © 2016 Elsevier Ltd. All rights reserved.
Advances in Applications of Hierarchical Bayesian Methods with Hydrological Models
Alexander, R. B.; Schwarz, G. E.; Boyer, E. W.
2017-12-01
Mechanistic and empirical watershed models are increasingly used to inform water resource decisions. Growing access to historical stream measurements and data from in-situ sensor technologies has increased the need for improved techniques for coupling models with hydrological measurements. Techniques that account for the intrinsic uncertainties of both models and measurements are especially needed. Hierarchical Bayesian methods provide an efficient modeling tool for quantifying model and prediction uncertainties, including those associated with measurements. Hierarchical methods can also be used to explore spatial and temporal variations in model parameters and uncertainties that are informed by hydrological measurements. We used hierarchical Bayesian methods to develop a hybrid (statistical-mechanistic) SPARROW (SPAtially Referenced Regression On Watershed attributes) model of long-term mean annual streamflow across diverse environmental and climatic drainages in 18 U.S. hydrological regions. Our application illustrates the use of a new generation of Bayesian methods that offer more advanced computational efficiencies than the prior generation. Evaluations of the effects of hierarchical (regional) variations in model coefficients and uncertainties on model accuracy indicates improved prediction accuracies (median of 10-50%) but primarily in humid eastern regions, where model uncertainties are one-third of those in arid western regions. Generally moderate regional variability is observed for most hierarchical coefficients. Accounting for measurement and structural uncertainties, using hierarchical state-space techniques, revealed the effects of spatially-heterogeneous, latent hydrological processes in the "localized" drainages between calibration sites; this improved model precision, with only minor changes in regional coefficients. Our study can inform advances in the use of hierarchical methods with hydrological models to improve their integration with stream
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.
Energy Technology Data Exchange (ETDEWEB)
Gao, Jiaying; Liang, Biao; Zhang, Weizhao; Liu, Zeliang; Cheng, Puikei; Bostanabad, Ramin; Cao, Jian; Chen, Wei; Liu, Wing Kam; Su, Xuming; Zeng, Danielle; Zhao, John
2017-10-23
In this work, a multiscale modeling framework for CFRP is introduced to study hierarchical structure of CFRP. Four distinct scales are defined: nanoscale, microscale, mesoscale, and macroscale. Information at lower scales can be passed to higher scale, which is beneficial for studying effect of constituents on macroscale part’s mechanical property. This bottom-up modeling approach enables better understanding of CFRP from finest details. Current study focuses on microscale and mesoscale. Representative volume element is used at microscale and mesoscale to model material’s properties. At microscale, unidirection CFRP (UD) RVE is used to study properties of UD. The UD RVE can be modeled with different volumetric fraction to encounter non-uniform fiber distribution in CFRP part. Such consideration is important in modeling uncertainties at microscale level. Currently, we identified volumetric fraction as the only uncertainty parameters in UD RVE. To measure effective material properties of UD RVE, periodic boundary conditions (PBC) are applied to UD RVE to ensure convergence of obtained properties. Properties of UD is directly used at mesoscale woven RVE modeling, where each yarn is assumed to have same properties as UD. Within woven RVE, there can be many potential uncertainties parameters to consider for a physical modeling of CFRP. Currently, we will consider fiber misalignment within yarn and angle between wrap and weft yarns. PBC is applied to woven RVE to calculate its effective material properties. The effect of uncertainties are investigated quantitatively by Gaussian process. Preliminary results of UD and Woven study are analyzed for efficacy of the RVE modeling. This work is considered as the foundation for future multiscale modeling framework development for ICME project.
Multi-scale modeling for sustainable chemical production.
Zhuang, Kai; Bakshi, Bhavik R; Herrgård, Markus J
2013-09-01
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 associated with the development and implementation of a sustainable biochemical industry. The temporal and spatial scales of modeling approaches for sustainable chemical production vary greatly, ranging from metabolic models that aid the design of fermentative microbial strains to material and monetary flow models that explore the ecological impacts of all economic activities. Research efforts that attempt to connect the models at different scales have been limited. Here, we review a number of existing modeling approaches and their applications at the scales of metabolism, bioreactor, overall process, 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 and predictions at every other scale. In addition, the development of this multi-scale framework would promote cohesive collaborations across multiple traditionally disconnected modeling disciplines to achieve sustainable chemical production. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
3D Multiscale Modelling of Angiogenesis and Vascular Tumour Growth
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.
3D Multiscale Modelling of Angiogenesis and Vascular Tumour Growth
Perfahl, H.; Byrne, H. M.; Chen, T.; Estrella, V.; Alarcó n, T.; Lapin, A.; Gatenby, R. A.; Gillies, R. J.; Lloyd, M. C.; Maini, P. K.; Reuss, M.; Owen, M. R.
2012-01-01
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.
Multiscale Models of Melting Arctic Sea Ice
2014-09-30
Sea ice reflectance or albedo , a key parameter in climate modeling, is primarily determined by melt pond and ice floe configurations. Ice - albedo ...determine their albedo - a key parameter in climate modeling. Here we explore the possibility of a conceptual sea ice climate model passing through a...bifurcation points. Ising model for melt ponds on Arctic sea ice Y. Ma, I. Sudakov, and K. M. Golden Abstract: The albedo of melting
Multiscale friction modeling for sheet metal forming
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
Multiscale Modeling of Carbon Nanotube-Epoxy Nanocomposites
Fasanella, Nicholas A.
Epoxy-composites are widely used in the aerospace industry. In order to improve upon stiffness and thermal conductivity; carbon nanotube additives to epoxies are being explored. This dissertation presents multiscale modeling techniques to study the engineering properties of single walled carbon nanotube (SWNT)-epoxy nanocomposites, consisting of pristine and covalently functionalized systems. Using Molecular Dynamics (MD), thermomechanical properties were calculated for a representative polymer unit cell. Finite Element (FE) and orientation distribution function (ODF) based methods were used in a multiscale framework to obtain macroscale properties. An epoxy network was built using the dendrimer growth approach. The epoxy model was verified by matching the experimental glass transition temperature, density, and dilatation. MD, via the constant valence force field (CVFF), was used to explore the mechanical and dilatometric effects of adding pristine and functionalized SWNTs to epoxy. Full stiffness matrices and linear coefficient of thermal expansion vectors were obtained. The Green-Kubo method was used to investigate the thermal conductivity as a function of temperature for the various nanocomposites. Inefficient phonon transport at the ends of nanotubes is an important factor in the thermal conductivity of the nanocomposites, and for this reason discontinuous nanotubes were modeled in addition to long nanotubes. To obtain continuum-scale elastic properties from the MD data, multiscale modeling was considered to give better control over the volume fraction of nanotubes, and investigate the effects of nanotube alignment. Two methods were considered; an FE based method, and an ODF based method. The FE method probabilistically assigned elastic properties of elements from the MD lattice results based on the desired volume fraction and alignment of the nanotubes. For the ODF method, a distribution function was generated based on the desired amount of nanotube alignment
Multiscale modelling approaches for assessing cosmetic ingredients safety.
Bois, Frédéric Y; Ochoa, Juan G Diaz; Gajewska, Monika; Kovarich, Simona; Mauch, Klaus; Paini, Alicia; Péry, Alexandre; Benito, Jose Vicente Sala; Teng, Sophie; Worth, Andrew
2017-12-01
The European Union's ban on animal testing for cosmetic ingredients and products has generated a strong momentum for the development of in silico and in vitro alternative methods. One of the focus of the COSMOS project was ab initio prediction of kinetics and toxic effects through multiscale pharmacokinetic modeling and in vitro data integration. In our experience, mathematical or computer modeling and in vitro experiments are complementary. We present here a summary of the main models and results obtained within the framework of the project on these topics. A first section presents our work at the organelle and cellular level. We then go toward modeling cell levels effects (monitored continuously), multiscale physiologically based pharmacokinetic and effect models, and route to route extrapolation. We follow with a short presentation of the automated KNIME workflows developed for dissemination and easy use of the models. We end with a discussion of two challenges to the field: our limited ability to deal with massive data and complex computations. Copyright © 2016 The Authors. Published by Elsevier B.V. All rights reserved.
A posteriori error analysis of multiscale operator decomposition methods for multiphysics models
International Nuclear Information System (INIS)
Estep, D; Carey, V; Tavener, S; Ginting, V; Wildey, T
2008-01-01
Multiphysics, multiscale models present significant challenges in computing accurate solutions and for estimating the error in information computed from numerical solutions. In this paper, we describe recent advances in extending the techniques of a posteriori error analysis to multiscale operator decomposition solution methods. While the particulars of the analysis vary considerably with the problem, several key ideas underlie a general approach being developed to treat operator decomposition multiscale methods. We explain these ideas in the context of three specific examples
Multiscale geometric modeling of macromolecules I: Cartesian representation
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
Multiscale geometric modeling of macromolecules I: Cartesian representation
Energy Technology Data Exchange (ETDEWEB)
Xia, Kelin [Department of Mathematics, Michigan State University, MI 48824 (United States); Feng, Xin [Department of Computer Science and Engineering, Michigan State University, MI 48824 (United States); Chen, Zhan [Department of Mathematics, Michigan State University, MI 48824 (United States); Tong, Yiying [Department of Computer Science and Engineering, Michigan State University, MI 48824 (United States); Wei, Guo-Wei, E-mail: wei@math.msu.edu [Department of Mathematics, Michigan State University, MI 48824 (United States); Department of Biochemistry and Molecular Biology, Michigan State University, MI 48824 (United States)
2014-01-15
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
Hierarchical Bayesian Modeling of Fluid-Induced Seismicity
Broccardo, M.; Mignan, A.; Wiemer, S.; Stojadinovic, B.; Giardini, D.
2017-11-01
In this study, we present a Bayesian hierarchical framework to model fluid-induced seismicity. The framework is based on a nonhomogeneous Poisson process with a fluid-induced seismicity rate proportional to the rate of injected fluid. The fluid-induced seismicity rate model depends upon a set of physically meaningful parameters and has been validated for six fluid-induced case studies. In line with the vision of hierarchical Bayesian modeling, the rate parameters are considered as random variables. We develop both the Bayesian inference and updating rules, which are used to develop a probabilistic forecasting model. We tested the Basel 2006 fluid-induced seismic case study to prove that the hierarchical Bayesian model offers a suitable framework to coherently encode both epistemic uncertainty and aleatory variability. Moreover, it provides a robust and consistent short-term seismic forecasting model suitable for online risk quantification and mitigation.
Computational multiscale modeling of intergranular cracking
International Nuclear Information System (INIS)
Simonovski, Igor; Cizelj, Leon
2011-01-01
A novel computational approach for simulation of intergranular cracks in a polycrystalline aggregate is proposed in this paper. The computational model includes a topological model of the experimentally determined microstructure of a 400 μm diameter stainless steel wire and automatic finite element discretization of the grains and grain boundaries. The microstructure was spatially characterized by X-ray diffraction contrast tomography and contains 362 grains and some 1600 grain boundaries. Available constitutive models currently include isotropic elasticity for the grain interior and cohesive behavior with damage for the grain boundaries. The experimentally determined lattice orientations are employed to distinguish between resistant low energy and susceptible high energy grain boundaries in the model. The feasibility and performance of the proposed computational approach is demonstrated by simulating the onset and propagation of intergranular cracking. The preliminary numerical results are outlined and discussed.
Stochastic Multiscale Modeling of Polycrystalline Materials
2013-01-01
The single-grid strategy is adopted. The crystal visco-plastic constitutive model proposed in [7] along with a Voce type hardening model described...in [97] is used with γ̇0 = 1s−1 and m = 0.1. The parameters in the Voce type hardening law are selected according to [97]: κ0 = 47.0MPa, κ1 = 86.0MPa
Multi-scale Modeling of Arctic Clouds
Hillman, B. R.; Roesler, E. L.; Dexheimer, D.
2017-12-01
The presence and properties of clouds are critically important to the radiative budget in the Arctic, but clouds are notoriously difficult to represent in global climate models (GCMs). The challenge stems partly from a disconnect in the scales at which these models are formulated and the scale of the physical processes important to the formation of clouds (e.g., convection and turbulence). Because of this, these processes are parameterized in large-scale models. Over the past decades, new approaches have been explored in which a cloud system resolving model (CSRM), or in the extreme a large eddy simulation (LES), is embedded into each gridcell of a traditional GCM to replace the cloud and convective parameterizations to explicitly simulate more of these important processes. This approach is attractive in that it allows for more explicit simulation of small-scale processes while also allowing for interaction between the small and large-scale processes. The goal of this study is to quantify the performance of this framework in simulating Arctic clouds relative to a traditional global model, and to explore the limitations of such a framework using coordinated high-resolution (eddy-resolving) simulations. Simulations from the global model are compared with satellite retrievals of cloud fraction partioned by cloud phase from CALIPSO, and limited-area LES simulations are compared with ground-based and tethered-balloon measurements from the ARM Barrow and Oliktok Point measurement facilities.
Carmeliet, J.; Descamps, F.; Houvenaghel, G.
1999-01-01
A multiscale network model is presented to model unsaturated moisture transfer in hygroscopic capillary-porous materials showing a broad pore-size distribution. Both capillary effects and water sorption phenomena, water vapour and liquid water transfer are considered. The multiscale approach is
Cellular potts models multiscale extensions and biological applications
Scianna, Marco
2013-01-01
A flexible, cell-level, and lattice-based technique, the cellular Potts model accurately describes the phenomenological mechanisms involved in many biological processes. Cellular Potts Models: Multiscale Extensions and Biological Applications gives an interdisciplinary, accessible treatment of these models, from the original methodologies to the latest developments. The book first explains the biophysical bases, main merits, and limitations of the cellular Potts model. It then proposes several innovative extensions, focusing on ways to integrate and interface the basic cellular Potts model at the mesoscopic scale with approaches that accurately model microscopic dynamics. These extensions are designed to create a nested and hybrid environment, where the evolution of a biological system is realistically driven by the constant interplay and flux of information between the different levels of description. Through several biological examples, the authors demonstrate a qualitative and quantitative agreement with t...
Stochastic scalar mixing models accounting for turbulent frequency multiscale fluctuations
International Nuclear Information System (INIS)
Soulard, Olivier; Sabel'nikov, Vladimir; Gorokhovski, Michael
2004-01-01
Two new scalar micromixing models accounting for a turbulent frequency scale distribution are investigated. These models were derived by Sabel'nikov and Gorokhovski [Second International Symposium on Turbulence and Shear FLow Phenomena, Royal Institute of technology (KTH), Stockholm, Sweden, June 27-29, 2001] using a multiscale extension of the classical interaction by exchange with the mean (IEM) and Langevin models. They are, respectively, called Extended IEM (EIEM) and Extended Langevin (ELM) models. The EIEM and ELM models are tested against DNS results in the case of the decay of a homogeneous scalar field in homogeneous turbulence. This comparison leads to a reformulation of the law governing the mixing frequency distribution. Finally, the asymptotic behaviour of the modeled PDF is discussed
MULTISCALE SPARSE APPEARANCE MODELING AND SIMULATION OF PATHOLOGICAL DEFORMATIONS
Directory of Open Access Journals (Sweden)
Rami Zewail
2017-08-01
Full Text Available Machine learning and statistical modeling techniques has drawn much interest within the medical imaging research community. However, clinically-relevant modeling of anatomical structures continues to be a challenging task. This paper presents a novel method for multiscale sparse appearance modeling in medical images with application to simulation of pathological deformations in X-ray images of human spine. The proposed appearance model benefits from the non-linear approximation power of Contourlets and its ability to capture higher order singularities to achieve a sparse representation while preserving the accuracy of the statistical model. Independent Component Analysis is used to extract statistical independent modes of variations from the sparse Contourlet-based domain. The new model is then used to simulate clinically-relevant pathological deformations in radiographic images.
Density functional theory and multiscale materials modeling
Indian Academy of Sciences (India)
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.
Determining Predictor Importance in Hierarchical Linear Models Using Dominance Analysis
Luo, Wen; Azen, Razia
2013-01-01
Dominance analysis (DA) is a method used to evaluate the relative importance of predictors that was originally proposed for linear regression models. This article proposes an extension of DA that allows researchers to determine the relative importance of predictors in hierarchical linear models (HLM). Commonly used measures of model adequacy in…
Multiscale Modeling of Multiphase Fluid Flow
2016-08-01
was compared to the original equilibrium volume of the neat solvent as a measure of the solubility of carbon dioxide and ammonia in pure water and...temperature and two-temperature models has been used, in which either local thermal equilibrium ( LTE ) between PCM and foams was assumed, or the...solved in the simulations. 6.2.2 Direct Numerical Simulation of PCM in Foam Without the need for extra ad hoc assumptions such as LTE , direct
Multiscale Systems Modeling of Male Reproductive Tract ...
The reproductive tract is a complex, integrated organ system with diverse embryology and unique sensitivity to prenatal environmental exposures that disrupt morphoregulatory processes and endocrine signaling. U.S. EPA’s in vitro high-throughput screening (HTS) database (ToxCastDB) was used to profile the bioactivity of 54 chemicals with male developmental consequences across ~800 molecular and cellular features [Leung et al., accepted manuscript]. The in vitro bioactivity on molecular targets could be condensed into 156 gene annotations in a bipartite network. These results highlighted the role of estrogen and androgen signaling pathways in male reproductive tract development, and importantly, broadened the list of molecular targets to include GPCRs, cytochrome-P450s, vascular remodeling proteins, and retinoic acid signaling. A multicellular agent-based model was used to simulate the complex interactions between morphoregulatory, endocrine, and environmental influences during genital tubercle (GT) development. Spatially dynamic signals (e.g., SHH, FGF10, and androgen) were implemented in the model to address differential adhesion, cell motility, proliferation, and apoptosis. Urethral tube closure was an emergent feature of the model that was linked to gender-specific rates of ventral mesenchymal proliferation and urethral plate endodermal apoptosis, both under control of androgen signaling [Leung et al., manuscript in preparation]. A systemic parameter sweep w
A bidirectional coupling procedure applied to multiscale respiratory modeling
Energy Technology Data Exchange (ETDEWEB)
Kuprat, A.P., E-mail: andrew.kuprat@pnnl.gov [Fundamental and Computational Sciences Directorate, Pacific Northwest National Laboratory, Richland, WA (United States); Kabilan, S., E-mail: senthil.kabilan@pnnl.gov [Fundamental and Computational Sciences Directorate, Pacific Northwest National Laboratory, Richland, WA (United States); Carson, J.P., E-mail: james.carson@pnnl.gov [Fundamental and Computational Sciences Directorate, Pacific Northwest National Laboratory, Richland, WA (United States); Corley, R.A., E-mail: rick.corley@pnnl.gov [Fundamental and Computational Sciences Directorate, Pacific Northwest National Laboratory, Richland, WA (United States); Einstein, D.R., E-mail: daniel.einstein@pnnl.gov [Fundamental and Computational Sciences Directorate, Pacific Northwest National Laboratory, Richland, WA (United States)
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
A bidirectional coupling procedure applied to multiscale respiratory modeling
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
A bidirectional coupling procedure applied to multiscale respiratory modeling
International Nuclear Information System (INIS)
Kuprat, A.P.; Kabilan, S.; Carson, J.P.; Corley, R.A.; Einstein, D.R.
2013-01-01
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
Multiscale modeling of alloy solidification using a database approach
Tan, Lijian; Zabaras, Nicholas
2007-11-01
A two-scale model based on a database approach is presented to investigate alloy solidification. Appropriate assumptions are introduced to describe the behavior of macroscopic temperature, macroscopic concentration, liquid volume fraction and microstructure features. These assumptions lead to a macroscale model with two unknown functions: liquid volume fraction and microstructure features. These functions are computed using information from microscale solutions of selected problems. This work addresses the selection of sample problems relevant to the interested problem and the utilization of data from the microscale solution of the selected sample problems. A computationally efficient model, which is different from the microscale and macroscale models, is utilized to find relevant sample problems. In this work, the computationally efficient model is a sharp interface solidification model of a pure material. Similarities between the sample problems and the problem of interest are explored by assuming that the liquid volume fraction and microstructure features are functions of solution features extracted from the solution of the computationally efficient model. The solution features of the computationally efficient model are selected as the interface velocity and thermal gradient in the liquid at the time the sharp solid-liquid interface passes through. An analytical solution of the computationally efficient model is utilized to select sample problems relevant to solution features obtained at any location of the domain of the problem of interest. The microscale solution of selected sample problems is then utilized to evaluate the two unknown functions (liquid volume fraction and microstructure features) in the macroscale model. The temperature solution of the macroscale model is further used to improve the estimation of the liquid volume fraction and microstructure features. Interpolation is utilized in the feature space to greatly reduce the number of required
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.
Adaptive Multiscale Modeling of Geochemical Impacts on Fracture Evolution
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
Multiscale Molecular Dynamics Model for Heterogeneous Charged Systems
Stanton, L. G.; Glosli, J. N.; Murillo, M. S.
2018-04-01
Modeling matter across large length scales and timescales using molecular dynamics simulations poses significant challenges. These challenges are typically addressed through the use of precomputed pair potentials that depend on thermodynamic properties like temperature and density; however, many scenarios of interest involve spatiotemporal variations in these properties, and such variations can violate assumptions made in constructing these potentials, thus precluding their use. In particular, when a system is strongly heterogeneous, most of the usual simplifying assumptions (e.g., spherical potentials) do not apply. Here, we present a multiscale approach to orbital-free density functional theory molecular dynamics (OFDFT-MD) simulations that bridges atomic, interionic, and continuum length scales to allow for variations in hydrodynamic quantities in a consistent way. Our multiscale approach enables simulations on the order of micron length scales and 10's of picosecond timescales, which exceeds current OFDFT-MD simulations by many orders of magnitude. This new capability is then used to study the heterogeneous, nonequilibrium dynamics of a heated interface characteristic of an inertial-confinement-fusion capsule containing a plastic ablator near a fuel layer composed of deuterium-tritium ice. At these scales, fundamental assumptions of continuum models are explored; features such as the separation of the momentum fields among the species and strong hydrogen jetting from the plastic into the fuel region are observed, which had previously not been seen in hydrodynamic simulations.
Hierarchical modeling of molecular energies using a deep neural network
Lubbers, Nicholas; Smith, Justin S.; Barros, Kipton
2018-06-01
We introduce the Hierarchically Interacting Particle Neural Network (HIP-NN) to model molecular properties from datasets of quantum calculations. Inspired by a many-body expansion, HIP-NN decomposes properties, such as energy, as a sum over hierarchical terms. These terms are generated from a neural network—a composition of many nonlinear transformations—acting on a representation of the molecule. HIP-NN achieves the state-of-the-art performance on a dataset of 131k ground state organic molecules and predicts energies with 0.26 kcal/mol mean absolute error. With minimal tuning, our model is also competitive on a dataset of molecular dynamics trajectories. In addition to enabling accurate energy predictions, the hierarchical structure of HIP-NN helps to identify regions of model uncertainty.
Multi-scale climate modelling over Southern Africa using a variable-resolution global model
CSIR Research Space (South Africa)
Engelbrecht, FA
2011-12-01
Full Text Available -mail: fengelbrecht@csir.co.za Multi-scale climate modelling over Southern Africa using a variable-resolution global model FA Engelbrecht1, 2*, WA Landman1, 3, CJ Engelbrecht4, S Landman5, MM Bopape1, B Roux6, JL McGregor7 and M Thatcher7 1 CSIR Natural... improvement. Keywords: multi-scale climate modelling, variable-resolution atmospheric model Introduction Dynamic climate models have become the primary tools for the projection of future climate change, at both the global and regional scales. Dynamic...
Applying Hierarchical Model Calibration to Automatically Generated Items.
Williamson, David M.; Johnson, Matthew S.; Sinharay, Sandip; Bejar, Isaac I.
This study explored the application of hierarchical model calibration as a means of reducing, if not eliminating, the need for pretesting of automatically generated items from a common item model prior to operational use. Ultimately the successful development of automatic item generation (AIG) systems capable of producing items with highly similar…
A HIERARCHICAL SET OF MODELS FOR SPECIES RESPONSE ANALYSIS
HUISMAN, J; OLFF, H; FRESCO, LFM
Variation in the abundance of species in space and/or time can be caused by a wide range of underlying processes. Before such causes can be analysed we need simple mathematical models which can describe the observed response patterns. For this purpose a hierarchical set of models is presented. These
A hierarchical set of models for species response analysis
Huisman, J.; Olff, H.; Fresco, L.F.M.
1993-01-01
Variation in the abundance of species in space and/or time can be caused by a wide range of underlying processes. Before such causes can be analysed we need simple mathematical models which can describe the observed response patterns. For this purpose a hierarchical set of models is presented. These
The Revised Hierarchical Model: A critical review and assessment
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
A hierarchical model exhibiting the Kosterlitz-Thouless fixed point
International Nuclear Information System (INIS)
Marchetti, D.H.U.; Perez, J.F.
1985-01-01
A hierarchical model for 2-d Coulomb gases displaying a line stable of fixed points describing the Kosterlitz-Thouless phase transition is constructed. For Coulomb gases corresponding to Z sub(N)- models these fixed points are stable for an intermediate temperature interval. (Author) [pt
Hierarchical Multiple Markov Chain Model for Unsupervised Texture Segmentation
Czech Academy of Sciences Publication Activity Database
Scarpa, G.; Gaetano, R.; Haindl, Michal; Zerubia, J.
2009-01-01
Roč. 18, č. 8 (2009), s. 1830-1843 ISSN 1057-7149 R&D Projects: GA ČR GA102/08/0593 EU Projects: European Commission(XE) 507752 - MUSCLE Institutional research plan: CEZ:AV0Z10750506 Keywords : Classification * texture analysis * segmentation * hierarchical image models * Markov process Subject RIV: BD - Theory of Information Impact factor: 2.848, year: 2009 http://library.utia.cas.cz/separaty/2009/RO/haindl-hierarchical multiple markov chain model for unsupervised texture segmentation.pdf
Hierarchical graphs for rule-based modeling of biochemical systems
Directory of Open Access Journals (Sweden)
Hu Bin
2011-02-01
Full Text Available Abstract Background In rule-based modeling, graphs are used to represent molecules: a colored vertex represents a component of a molecule, a vertex attribute represents the internal state of a component, and an edge represents a bond between components. Components of a molecule share the same color. Furthermore, graph-rewriting rules are used to represent molecular interactions. A rule that specifies addition (removal of an edge represents a class of association (dissociation reactions, and a rule that specifies a change of a vertex attribute represents a class of reactions that affect the internal state of a molecular component. A set of rules comprises an executable model that can be used to determine, through various means, the system-level dynamics of molecular interactions in a biochemical system. Results For purposes of model annotation, we propose the use of hierarchical graphs to represent structural relationships among components and subcomponents of molecules. We illustrate how hierarchical graphs can be used to naturally document the structural organization of the functional components and subcomponents of two proteins: the protein tyrosine kinase Lck and the T cell receptor (TCR complex. We also show that computational methods developed for regular graphs can be applied to hierarchical graphs. In particular, we describe a generalization of Nauty, a graph isomorphism and canonical labeling algorithm. The generalized version of the Nauty procedure, which we call HNauty, can be used to assign canonical labels to hierarchical graphs or more generally to graphs with multiple edge types. The difference between the Nauty and HNauty procedures is minor, but for completeness, we provide an explanation of the entire HNauty algorithm. Conclusions Hierarchical graphs provide more intuitive formal representations of proteins and other structured molecules with multiple functional components than do the regular graphs of current languages for
A Hierarchal Risk Assessment Model Using the Evidential Reasoning Rule
Directory of Open Access Journals (Sweden)
Xiaoxiao Ji
2017-02-01
Full Text Available This paper aims to develop a hierarchical risk assessment model using the newly-developed evidential reasoning (ER rule, which constitutes a generic conjunctive probabilistic reasoning process. In this paper, we first provide a brief introduction to the basics of the ER rule and emphasize the strengths for representing and aggregating uncertain information from multiple experts and sources. Further, we discuss the key steps of developing the hierarchical risk assessment framework systematically, including (1 formulation of risk assessment hierarchy; (2 representation of both qualitative and quantitative information; (3 elicitation of attribute weights and information reliabilities; (4 aggregation of assessment information using the ER rule and (5 quantification and ranking of risks using utility-based transformation. The proposed hierarchical risk assessment framework can potentially be implemented to various complex and uncertain systems. A case study on the fire/explosion risk assessment of marine vessels demonstrates the applicability of the proposed risk assessment model.
A Liver-Centric Multiscale Modeling Framework for Xenobiotics.
Directory of Open Access Journals (Sweden)
James P Sluka
Full Text Available 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.
Everaers, Ralf; Rosa, Angelo
2012-01-07
The quantitative description of polymeric systems requires hierarchical modeling schemes, which bridge the gap between the atomic scale, relevant to chemical or biomolecular reactions, and the macromolecular scale, where the longest relaxation modes occur. Here, we use the formalism for diffusion-controlled reactions in polymers developed by Wilemski, Fixman, and Doi to discuss the renormalisation of the reactivity parameters in polymer models with varying spatial resolution. In particular, we show that the adjustments are independent of chain length. As a consequence, it is possible to match reactions times between descriptions with different resolution for relatively short reference chains and to use the coarse-grained model to make quantitative predictions for longer chains. We illustrate our results by a detailed discussion of the classical problem of chain cyclization in the Rouse model, which offers the simplest example of a multi-scale descriptions, if we consider differently discretized Rouse models for the same physical system. Moreover, we are able to explore different combinations of compact and non-compact diffusion in the local and large-scale dynamics by varying the embedding dimension.
Predictive Multiscale Modeling of Nanocellulose Based Materials and Systems
International Nuclear Information System (INIS)
Kovalenko, Andriy
2014-01-01
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
Predictive Multiscale Modeling of Nanocellulose Based Materials and Systems
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
Multiscale Modeling of Point and Line Defects in Cubic Lattices
National Research Council Canada - National Science Library
Chung, P. W; Clayton, J. D
2007-01-01
.... This multiscale theory explicitly captures heterogeneity in microscopic atomic motion in crystalline materials, attributed, for example, to the presence of various point and line lattice defects...
Comparing hierarchical models via the marginalized deviance information criterion.
Quintero, Adrian; Lesaffre, Emmanuel
2018-07-20
Hierarchical models are extensively used in pharmacokinetics and longitudinal studies. When the estimation is performed from a Bayesian approach, model comparison is often based on the deviance information criterion (DIC). In hierarchical models with latent variables, there are several versions of this statistic: the conditional DIC (cDIC) that incorporates the latent variables in the focus of the analysis and the marginalized DIC (mDIC) that integrates them out. Regardless of the asymptotic and coherency difficulties of cDIC, this alternative is usually used in Markov chain Monte Carlo (MCMC) methods for hierarchical models because of practical convenience. The mDIC criterion is more appropriate in most cases but requires integration of the likelihood, which is computationally demanding and not implemented in Bayesian software. Therefore, we consider a method to compute mDIC by generating replicate samples of the latent variables that need to be integrated out. This alternative can be easily conducted from the MCMC output of Bayesian packages and is widely applicable to hierarchical models in general. Additionally, we propose some approximations in order to reduce the computational complexity for large-sample situations. The method is illustrated with simulated data sets and 2 medical studies, evidencing that cDIC may be misleading whilst mDIC appears pertinent. Copyright © 2018 John Wiley & Sons, Ltd.
Conceptual hierarchical modeling to describe wetland plant community organization
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.
Control of discrete event systems modeled as hierarchical state machines
Brave, Y.; Heymann, M.
1991-01-01
The authors examine a class of discrete event systems (DESs) modeled as asynchronous hierarchical state machines (AHSMs). For this class of DESs, they provide an efficient method for testing reachability, which is an essential step in many control synthesis procedures. This method utilizes the asynchronous nature and hierarchical structure of AHSMs, thereby illustrating the advantage of the AHSM representation as compared with its equivalent (flat) state machine representation. An application of the method is presented where an online minimally restrictive solution is proposed for the problem of maintaining a controlled AHSM within prescribed legal bounds.
Hierarchical modelling for the environmental sciences statistical methods and applications
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.
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.
Analysis of Error Propagation Within Hierarchical Air Combat Models
2016-06-01
values alone are propagated through layers of combat models, the final results will likely be biased, and risk underestimated. An air-to-air...values alone are propagated through layers of combat models, the final results will likely be biased, and risk underestimated. An air-to-air engagement... PROPAGATION WITHIN HIERARCHICAL AIR COMBAT MODELS by Salih Ilaslan June 2016 Thesis Advisor: Thomas W. Lucas Second Reader: Jeffrey
Multiscale and Multiphysics Modeling of Additive Manufacturing of Advanced Materials
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
International Nuclear Information System (INIS)
Agliari, Elena; Barra, Adriano; Guerra, Francesco; Galluzzi, Andrea; Tantari, Daniele; Tavani, Flavia
2015-01-01
In this paper, we introduce and investigate the statistical mechanics of hierarchical neural networks. First, we approach these systems à la Mattis, by thinking of the Dyson model as a single-pattern hierarchical neural network. We also discuss the stability of different retrievable states as predicted by the related self-consistencies obtained both from a mean-field bound and from a bound that bypasses the mean-field limitation. The latter is worked out by properly reabsorbing the magnetization fluctuations related to higher levels of the hierarchy into effective fields for the lower levels. Remarkably, mixing Amit's ansatz technique for selecting candidate-retrievable states with the interpolation procedure for solving for the free energy of these states, we prove that, due to gauge symmetry, the Dyson model accomplishes both serial and parallel processing. We extend this scenario to multiple stored patterns by implementing the Hebb prescription for learning within the couplings. This results in Hopfield-like networks constrained on a hierarchical topology, for which, by restricting to the low-storage regime where the number of patterns grows at its most logarithmical with the amount of neurons, we prove the existence of the thermodynamic limit for the free energy, and we give an explicit expression of its mean-field bound and of its related improved bound. We studied the resulting self-consistencies for the Mattis magnetizations, which act as order parameters, are studied and the stability of solutions is analyzed to get a picture of the overall retrieval capabilities of the system according to both mean-field and non-mean-field scenarios. Our main finding is that embedding the Hebbian rule on a hierarchical topology allows the network to accomplish both serial and parallel processing. By tuning the level of fast noise affecting it or triggering the decay of the interactions with the distance among neurons, the system may switch from sequential retrieval to
Hierarchical Models of the Nearshore Complex System
National Research Council Canada - National Science Library
Werner, Brad
2004-01-01
.... This grant was termination funding for the Werner group, specifically aimed at finishing up and publishing research related to synoptic imaging of near shore bathymetry, testing models for beach cusp...
Hierarchical and coupling model of factors influencing vessel traffic flow.
Directory of Open Access Journals (Sweden)
Zhao Liu
Full Text Available Understanding the characteristics of vessel traffic flow is crucial in maintaining navigation safety, efficiency, and overall waterway transportation management. Factors influencing vessel traffic flow possess diverse features such as hierarchy, uncertainty, nonlinearity, complexity, and interdependency. To reveal the impact mechanism of the factors influencing vessel traffic flow, a hierarchical model and a coupling model are proposed in this study based on the interpretative structural modeling method. The hierarchical model explains the hierarchies and relationships of the factors using a graph. The coupling model provides a quantitative method that explores interaction effects of factors using a coupling coefficient. The coupling coefficient is obtained by determining the quantitative indicators of the factors and their weights. Thereafter, the data obtained from Port of Tianjin is used to verify the proposed coupling model. The results show that the hierarchical model of the factors influencing vessel traffic flow can explain the level, structure, and interaction effect of the factors; the coupling model is efficient in analyzing factors influencing traffic volumes. The proposed method can be used for analyzing increases in vessel traffic flow in waterway transportation system.
Hierarchical and coupling model of factors influencing vessel traffic flow.
Liu, Zhao; Liu, Jingxian; Li, Huanhuan; Li, Zongzhi; Tan, Zhirong; Liu, Ryan Wen; Liu, Yi
2017-01-01
Understanding the characteristics of vessel traffic flow is crucial in maintaining navigation safety, efficiency, and overall waterway transportation management. Factors influencing vessel traffic flow possess diverse features such as hierarchy, uncertainty, nonlinearity, complexity, and interdependency. To reveal the impact mechanism of the factors influencing vessel traffic flow, a hierarchical model and a coupling model are proposed in this study based on the interpretative structural modeling method. The hierarchical model explains the hierarchies and relationships of the factors using a graph. The coupling model provides a quantitative method that explores interaction effects of factors using a coupling coefficient. The coupling coefficient is obtained by determining the quantitative indicators of the factors and their weights. Thereafter, the data obtained from Port of Tianjin is used to verify the proposed coupling model. The results show that the hierarchical model of the factors influencing vessel traffic flow can explain the level, structure, and interaction effect of the factors; the coupling model is efficient in analyzing factors influencing traffic volumes. The proposed method can be used for analyzing increases in vessel traffic flow in waterway transportation system.
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. © 2014 The Authors. WIREs Systems Biology and Medicine published by Wiley Periodicals, Inc.
Linear theory for filtering nonlinear multiscale systems with model error.
Berry, Tyrus; Harlim, John
2014-07-08
In this paper, we study filtering of multiscale dynamical systems with model error arising from limitations in resolving the smaller scale processes. In particular, the analysis assumes the availability of continuous-time noisy observations of all components of the slow variables. Mathematically, this paper presents new results on higher order asymptotic expansion of the first two moments of a conditional measure. In particular, we are interested in the application of filtering multiscale problems in which the conditional distribution is defined over the slow variables, given noisy observation of the slow variables alone. From the mathematical analysis, we learn that for a continuous time linear model with Gaussian noise, there exists a unique choice of parameters in a linear reduced model for the slow variables which gives the optimal filtering when only the slow variables are observed. Moreover, these parameters simultaneously give the optimal equilibrium statistical estimates of the underlying system, and as a consequence they can be estimated offline from the equilibrium statistics of the true signal. By examining a nonlinear test model, we show that the linear theory extends in this non-Gaussian, nonlinear configuration as long as we know the optimal stochastic parametrization and the correct observation model. However, when the stochastic parametrization model is inappropriate, parameters chosen for good filter performance may give poor equilibrium statistical estimates and vice versa; this finding is based on analytical and numerical results on our nonlinear test model and the two-layer Lorenz-96 model. Finally, even when the correct stochastic ansatz is given, it is imperative to estimate the parameters simultaneously and to account for the nonlinear feedback of the stochastic parameters into the reduced filter estimates. In numerical experiments on the two-layer Lorenz-96 model, we find that the parameters estimated online , as part of a filtering
A variational multiscale constitutive model for nanocrystalline materials
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.
Petascale Hierarchical Modeling VIA Parallel Execution
Energy Technology Data Exchange (ETDEWEB)
Gelman, Andrew [Principal Investigator
2014-04-14
The research allows more effective model building. By allowing researchers to fit complex models to large datasets in a scalable manner, our algorithms and software enable more effective scientific research. In the new area of “big data,” it is often necessary to fit “big models” to adjust for systematic differences between sample and population. For this task, scalable and efficient model-fitting tools are needed, and these have been achieved with our new Hamiltonian Monte Carlo algorithm, the no-U-turn sampler, and our new C++ program, Stan. In layman’s terms, our research enables researchers to create improved mathematical modes for large and complex systems.
Hierarchical Modelling of Flood Risk for Engineering Decision Analysis
DEFF Research Database (Denmark)
Custer, Rocco
protection structures in the hierarchical flood protection system - is identified. To optimise the design of protection structures, fragility and vulnerability models must allow for consideration of decision alternatives. While such vulnerability models are available for large protection structures (e...... systems, as well as the implementation of the flood risk analysis methodology and the vulnerability modelling approach are illustrated with an example application. In summary, the present thesis provides a characterisation of hierarchical flood protection systems as well as several methodologies to model...... and robust. Traditional risk management solutions, e.g. dike construction, are not particularly flexible, as they are difficult to adapt to changing risk. Conversely, the recent concept of integrated flood risk management, entailing a combination of several structural and non-structural risk management...
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.
Multiscale modeling of graphene- and nanotube-based reinforced polymer nanocomposites
International Nuclear Information System (INIS)
Montazeri, A.; Rafii-Tabar, H.
2011-01-01
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.
Multiscale Models for the Two-Stream Instability
Joseph, Ilon; Dimits, Andris; Banks, Jeffrey; Berger, Richard; Brunner, Stephan; Chapman, Thomas
2017-10-01
Interpenetrating streams of plasma found in many important scenarios in nature and in the laboratory can develop kinetic two-stream instabilities that exchange momentum and energy between the streams. A quasilinear model for the electrostatic two-stream instability is under development as a component of a multiscale model that couples fluid simulations to kinetic theory. Parameters of the model will be validated with comparison to full kinetic simulations using LOKI and efficient strategies for numerical solution of the quasilinear model and for coupling to the fluid model will be discussed. Extending the kinetic models into the collisional regime requires an efficient treatment of the collision operator. Useful reductions of the collision operator relative to the full multi-species Landau-Fokker-Plank operator are being explored. These are further motivated both by careful consideration of the parameter orderings relevant to two-stream scenarios and by the particular 2D+2V phase space used in the LOKI code. Prepared for US DOE by LLNL under Contract DE-AC52-07NA27344 and LDRD project 17- ERD-081.
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.
A Hierarchical Visualization Analysis Model of Power Big Data
Li, Yongjie; Wang, Zheng; Hao, Yang
2018-01-01
Based on the conception of integrating VR scene and power big data analysis, a hierarchical visualization analysis model of power big data is proposed, in which levels are designed, targeting at different abstract modules like transaction, engine, computation, control and store. The regularly departed modules of power data storing, data mining and analysis, data visualization are integrated into one platform by this model. It provides a visual analysis solution for the power big data.
Multiscale forward electromagnetic model of uterine contractions during pregnancy
International Nuclear Information System (INIS)
La Rosa, Patricio S; Eswaran, Hari; Preissl, Hubert; Nehorai, Arye
2012-01-01
Analyzing and monitoring uterine contractions during pregnancy is relevant to the field of reproductive health assessment. Its clinical importance is grounded in the need to reliably predict the onset of labor at term and pre-term. Preterm births can cause health problems or even be fatal for the fetus. Currently, there are no objective methods for consistently predicting the onset of labor based on sensing of the mechanical or electrophysiological aspects of uterine contractions. Therefore, modeling uterine contractions could help to better interpret such measurements and to develop more accurate methods for predicting labor. In this work, we develop a multiscale forward electromagnetic model of myometrial contractions during pregnancy. In particular, we introduce a model of myometrial current source densities and compute its magnetic field and action potential at the abdominal surface, using Maxwell’s equations and a four-compartment volume conductor geometry. To model the current source density at the myometrium we use a bidomain approach. We consider a modified version of the Fitzhugh-Nagumo (FHN) equation for modeling ionic currents in each myocyte, assuming a plateau-type transmembrane potential, and we incorporate the anisotropic nature of the uterus by designing conductivity-tensor fields. We illustrate our modeling approach considering a spherical uterus and one pacemaker located in the fundus. We obtained a travelling transmembrane potential depolarizing from −56 mV to −16 mV and an average potential in the plateau area of −25 mV with a duration, before hyperpolarization, of 35 s, which is a good approximation with respect to the average recorded transmembrane potentials at term reported in the technical literature. Similarly, the percentage of myometrial cells contracting as a function of time had the same symmetric properties and duration as the intrauterine pressure waveforms of a pregnant human myometrium at term. We introduced a multiscale
Fully probabilistic design of hierarchical Bayesian models
Czech Academy of Sciences Publication Activity Database
Quinn, A.; Kárný, Miroslav; Guy, Tatiana Valentine
2016-01-01
Roč. 369, č. 1 (2016), s. 532-547 ISSN 0020-0255 R&D Projects: GA ČR GA13-13502S Institutional support: RVO:67985556 Keywords : Fully probabilistic design * Ideal distribution * Minimum cross-entropy principle * Bayesian conditioning * Kullback-Leibler divergence * Bayesian nonparametric modelling Subject RIV: BB - Applied Statistics, Operational Research Impact factor: 4.832, year: 2016 http://library.utia.cas.cz/separaty/2016/AS/karny-0463052.pdf
Multiscale mechanistic modeling in pharmaceutical research and development.
Kuepfer, Lars; Lippert, Jörg; Eissing, Thomas
2012-01-01
Discontinuation of drug development projects due to lack of efficacy or adverse events is one of the main cost drivers in pharmaceutical research and development (R&D). Investments have to be written-off and contribute to the total costs of a successful drug candidate receiving marketing authorization and allowing return on invest. A vital risk for pharmaceutical innovator companies is late stage clinical failure since costs for individual clinical trials may exceed the one billion Euro threshold. To guide investment decisions and to safeguard maximum medical benefit and safety for patients recruited in clinical trials, it is therefore essential to understand the clinical consequences of all information and data generated. The complexity of the physiological and pathophysiological processes and the sheer amount of information available overcharge the mental capacity of any human being and prevent a prediction of the success in clinical development. A rigorous integration of knowledge, assumption, and experimental data into computational models promises a significant improvement of the rationalization of decision making in pharmaceutical industry. We here give an overview of the current status of modeling and simulation in pharmaceutical R&D and outline the perspectives of more recent developments in mechanistic modeling. Specific modeling approaches for different biological scales ranging from intracellular processes to whole organism physiology are introduced and an example for integrative multiscale modeling of therapeutic efficiency in clinical oncology trials is showcased.
Siddiq, A.; El Sayed, Tamer S.
2013-01-01
We present a variational multiscale constitutive model that accounts for intergranular failure in nanocrystalline fcc metals due to void growth and coalescence in the grain boundary region. Following previous work by the authors, a nanocrystalline
The Feasibility of Multiscale Modeling of Tunnel Fires Using FDS 6
DEFF Research Database (Denmark)
Vermesi, Izabella; Colella, Francesco; Rein, Guillermo
2014-01-01
The HVAC component of FDS 6 was used to divide a 1.2km tunnel into a 3D near fire area and a 1D area further away from the fire in order to investigate the feasibility of multiscale modeling of tunnel fires with this new feature in FDS. The two sub-models were coupled directly. The results were...... compared with reference works on multiscale modeling and the outcome is considered positive, with a deviation of less than 5% in magnitude of relevant parameters, yet with a significant reduction of the simulation runtime. As such, the multiscale method is deemed feasible for simulating tunnel fires in FDS......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...
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.
Multi-scale salient feature extraction on mesh models
Yang, Yongliang; Shen, ChaoHui
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.
Hierarchical Model Predictive Control for Resource Distribution
DEFF Research Database (Denmark)
Bendtsen, Jan Dimon; Trangbæk, K; Stoustrup, Jakob
2010-01-01
units. The approach is inspired by smart-grid electric power production and consumption systems, where the flexibility of a large number of power producing and/or power consuming units can be exploited in a smart-grid solution. The objective is to accommodate the load variation on the grid, arising......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...... on one hand from varying consumption, on the other hand by natural variations in power production e.g. from wind turbines. The approach presented is based on quadratic optimization and possess the properties of low algorithmic complexity and of scalability. In particular, the proposed design methodology...
Introduction to Hierarchical Bayesian Modeling for Ecological Data
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
Multiscale modeling of nerve agent hydrolysis mechanisms: a tale of two Nobel Prizes
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.
Multiscale model for pedestrian and infection dynamics during air travel
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.
Multiscale modeling of porous ceramics using movable cellular automaton method
Smolin, Alexey Yu.; Smolin, Igor Yu.; Smolina, Irina Yu.
2017-10-01
The paper presents a multiscale model for porous ceramics based on movable cellular automaton method, which is a particle method in novel computational mechanics of solid. The initial scale of the proposed approach corresponds to the characteristic size of the smallest pores in the ceramics. At this scale, we model uniaxial compression of several representative samples with an explicit account of pores of the same size but with the unique position in space. As a result, we get the average values of Young's modulus and strength, as well as the parameters of the Weibull distribution of these properties at the current scale level. These data allow us to describe the material behavior at the next scale level were only the larger pores are considered explicitly, while the influence of small pores is included via effective properties determined earliar. If the pore size distribution function of the material has N maxima we need to perform computations for N-1 levels in order to get the properties step by step from the lowest scale up to the macroscale. The proposed approach was applied to modeling zirconia ceramics with bimodal pore size distribution. The obtained results show correct behavior of the model sample at the macroscale.
Multiscale thermohydrologic model: addressing variability and uncertainty at Yucca Mountain
International Nuclear Information System (INIS)
Buscheck, T; Rosenberg, N D; Gansemer, J D; Sun, Y
2000-01-01
Performance assessment and design evaluation require a modeling tool that simultaneously accounts for processes occurring at a scale of a few tens of centimeters around individual waste packages and emplacement drifts, and also on behavior at the scale of the mountain. Many processes and features must be considered, including non-isothermal, multiphase-flow in rock of variable saturation and thermal radiation in open cavities. Also, given the nature of the fractured rock at Yucca Mountain, a dual-permeability approach is needed to represent permeability. A monolithic numerical model with all these features requires too large a computational cost to be an effective simulation tool, one that is used to examine sensitivity to key model assumptions and parameters. We have developed a multi-scale modeling approach that effectively simulates 3D discrete-heat-source, mountain-scale thermohydrologic behavior at Yucca Mountain and captures the natural variability of the site consistent with what we know from site characterization and waste-package-to-waste-package variability in heat output. We describe this approach and present results examining the role of infiltration flux, the most important natural-system parameter with respect to how thermohydrologic behavior influences the performance of the repository
Uncertainty propagation in a multiscale model of nanocrystalline plasticity
International Nuclear Information System (INIS)
Koslowski, M.; Strachan, Alejandro
2011-01-01
We characterize how uncertainties propagate across spatial and temporal scales in a physics-based model of nanocrystalline plasticity of fcc metals. Our model combines molecular dynamics (MD) simulations to characterize atomic-level processes that govern dislocation-based-plastic deformation with a phase field approach to dislocation dynamics (PFDD) that describes how an ensemble of dislocations evolve and interact to determine the mechanical response of the material. We apply this approach to a nanocrystalline Ni specimen of interest in micro-electromechanical (MEMS) switches. Our approach enables us to quantify how internal stresses that result from the fabrication process affect the properties of dislocations (using MD) and how these properties, in turn, affect the yield stress of the metallic membrane (using the PFMM model). Our predictions show that, for a nanocrystalline sample with small grain size (4 nm), a variation in residual stress of 20 MPa (typical in today's microfabrication techniques) would result in a variation on the critical resolved shear yield stress of approximately 15 MPa, a very small fraction of the nominal value of approximately 9 GPa. - Highlights: → Quantify how fabrication uncertainties affect yield stress in a microswitch component. → Propagate uncertainties in a multiscale model of single crystal plasticity. → Molecular dynamics quantifies how fabrication variations affect dislocations. → Dislocation dynamics relate variations in dislocation properties to yield stress.
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.
Integrating Cellular Metabolism into a Multiscale Whole-Body Model
Krauss, Markus; Schaller, Stephan; Borchers, Steffen; Findeisen, Rolf; Lippert, Jörg; Kuepfer, Lars
2012-01-01
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. PMID:23133351
Multiscale modelling of a composite electroactive polymer structure
Wang, P.; Lassen, B.; Jones, R. W.; Thomsen, B.
2010-12-01
Danfoss PolyPower has developed a tubular actuator comprising a dielectric elastomer sheet with specially shaped compliant electrodes rolled into a tube. This paper is concerned with the modelling of this kind of tubular actuator. This is a challenging task due to the system's multiscale nature which is caused by the orders of magnitude difference between the length and thickness of the sheets as well as the thickness of the electrodes and the elastomer in the sheets. A further complication is the presence of passive parts at both ends of the actuator, i.e. areas without electrodes which are needed in order to avoid short circuits between negative and positively charged electrodes on the two sides of the sheet. Due to the complexities in shape and size it is necessary to introduce some simplifying assumptions. This paper presents a set of models where the three-dimensional problem has been reduced to two-dimensional problems, ensuring that the resulting models can be handled numerically within the framework of the finite element method. These models have been derived by expressing Navier's equation in elliptical cylindrical coordinates in order to take full advantage of the special shape of these actuators. Emphasis is placed on studying the passive parts of the actuator, as these degrade the effectiveness of the actuator. Two approaches are used here to model the passive parts: a spring-stiffness analogy model and a longitudinal section model of the actuator. The models have been compared with experimental results for the force-elongation characteristics of the commercially available PolyPower 'InLastor push' actuator. The comparison shows good agreement between model and experiments for the case where the passive parts were taken into account. One of the models developed is subsequently used to study geometric effects—specifically the effect of changing the ellipticity of the tubular actuator on the actuator's performance is investigated.
A hierarchical spatiotemporal analog forecasting model for count data.
McDermott, Patrick L; Wikle, Christopher K; Millspaugh, Joshua
2018-01-01
Analog forecasting is a mechanism-free nonlinear method that forecasts a system forward in time by examining how past states deemed similar to the current state moved forward. Previous applications of analog forecasting has been successful at producing robust forecasts for a variety of ecological and physical processes, but it has typically been presented in an empirical or heuristic procedure, rather than as a formal statistical model. The methodology presented here extends the model-based analog method of McDermott and Wikle (Environmetrics, 27, 2016, 70) by placing analog forecasting within a fully hierarchical statistical framework that can accommodate count observations. Using a Bayesian approach, the hierarchical analog model is able to quantify rigorously the uncertainty associated with forecasts. Forecasting waterfowl settling patterns in the northwestern United States and Canada is conducted by applying the hierarchical analog model to a breeding population survey dataset. Sea surface temperature (SST) in the Pacific Ocean is used to help identify potential analogs for the waterfowl settling patterns.
Multiscale model reduction for shale gas transport in fractured media
Akkutlu, I. Y.; Efendiev, Yalchin R.; Vasilyeva, Maria
2016-01-01
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
Multiscale modelling for better hygrothermal prediction of porous building materials
Directory of Open Access Journals (Sweden)
Belarbi Rafik
2018-01-01
Full Text Available The aim of this work is to understand the influence of the microstructuralgeometric parameters of porous building materials on the mechanisms of coupled heat, air and moisture transfers, in order to predict behavior of the building to control and improve it in its durability. For this a multi-scale approach is implemented. It consists of mastering the dominant physical phenomena and their interactions on the microscopic scale. Followed by a dual-scale modelling, microscopic-macroscopic, of coupled heat, air and moisture transfers that takes into account the intrinsic properties and microstructural topology of the material using X-ray tomography combined with the correlation of 3D images were undertaken. In fact, the hygromorphicbehavior under hydric solicitations was considered. In this context, a model of coupled heat, air and moisture transfer in porous building materials was developed using the periodic homogenization technique. These informations were subsequently implemented in a dynamic computation simulation that model the hygrothermalbehaviourof material at the scale of the envelopes and indoor air quality of building. Results reveals that is essential to consider the local behaviors of materials, but also to be able to measure and quantify the evolution of its properties on a macroscopic scale from the youngest age of the material. In addition, comparisons between experimental and numerical temperature and relative humidity profilesin multilayers wall and in building envelopes were undertaken. Good agreements were observed.
Modeling multiscale evolution of numerous voids in shocked brittle material.
Yu, Yin; Wang, Wenqiang; He, Hongliang; Lu, Tiecheng
2014-04-01
The influence of the evolution of numerous voids on macroscopic properties of materials is a multiscale problem that challenges computational research. A shock-wave compression model for brittle material, which can obtain both microscopic evolution and macroscopic shock properties, was developed using discrete element methods (lattice model). Using a model interaction-parameter-mapping procedure, qualitative features, as well as trends in the calculated shock-wave profiles, are shown to agree with experimental results. The shock wave splits into an elastic wave and a deformation wave in porous brittle materials, indicating significant shock plasticity. Void collapses in the deformation wave were the natural reason for volume shrinkage and deformation. However, media slippage and rotation deformations indicated by complex vortex patterns composed of relative velocity vectors were also confirmed as an important source of shock plasticity. With increasing pressure, the contribution from slippage deformation to the final plastic strain increased. Porosity was found to determine the amplitude of the elastic wave; porosity and shock stress together determine propagation speed of the deformation wave, as well as stress and strain on the final equilibrium state. Thus, shock behaviors of porous brittle material can be systematically designed for specific applications.
Bayesian hierarchical model for large-scale covariance matrix estimation.
Zhu, Dongxiao; Hero, Alfred O
2007-12-01
Many bioinformatics problems implicitly depend on estimating large-scale covariance matrix. The traditional approaches tend to give rise to high variance and low accuracy due to "overfitting." We cast the large-scale covariance matrix estimation problem into the Bayesian hierarchical model framework, and introduce dependency between covariance parameters. We demonstrate the advantages of our approaches over the traditional approaches using simulations and OMICS data analysis.
A Generalized Hybrid Multiscale Modeling Approach for Flow and Reactive Transport in Porous Media
Yang, X.; Meng, X.; Tang, Y. H.; Guo, Z.; Karniadakis, G. E.
2017-12-01
Using emerging understanding of biological and environmental processes at fundamental scales to advance predictions of the larger system behavior requires the development of multiscale approaches, and there is strong interest in coupling models at different scales together in a hybrid multiscale simulation framework. A limited number of hybrid multiscale simulation methods have been developed for subsurface applications, mostly using application-specific approaches for model coupling. The proposed generalized hybrid multiscale approach is designed with minimal intrusiveness to the at-scale simulators (pre-selected) and provides a set of lightweight C++ scripts to manage a complex multiscale workflow utilizing a concurrent coupling approach. The workflow includes at-scale simulators (using the lattice-Boltzmann method, LBM, at the pore and Darcy scale, respectively), scripts for boundary treatment (coupling and kriging), and a multiscale universal interface (MUI) for data exchange. The current study aims to apply the generalized hybrid multiscale modeling approach to couple pore- and Darcy-scale models for flow and mixing-controlled reaction with precipitation/dissolution in heterogeneous porous media. The model domain is packed heterogeneously that the mixing front geometry is more complex and not known a priori. To address those challenges, the generalized hybrid multiscale modeling approach is further developed to 1) adaptively define the locations of pore-scale subdomains, 2) provide a suite of physical boundary coupling schemes and 3) consider the dynamic change of the pore structures due to mineral precipitation/dissolution. The results are validated and evaluated by comparing with single-scale simulations in terms of velocities, reactive concentrations and computing cost.
Multiscale mathematical modeling of the hypothalamo-pituitary-gonadal axis.
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
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
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.
Multiscale modeling and simulation of microtubule-motor-protein assemblies
Gao, Tong; Blackwell, Robert; Glaser, Matthew A.; Betterton, M. D.; Shelley, Michael J.
2015-12-01
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.
Fast Proton Titration Scheme for Multiscale Modeling of Protein Solutions.
Teixeira, Andre Azevedo Reis; Lund, Mikael; da Silva, Fernando Luís Barroso
2010-10-12
Proton exchange between titratable amino acid residues and the surrounding solution gives rise to exciting electric processes in proteins. We present a proton titration scheme for studying acid-base equilibria in Metropolis Monte Carlo simulations where salt is treated at the Debye-Hückel level. The method, rooted in the Kirkwood model of impenetrable spheres, is applied on the three milk proteins α-lactalbumin, β-lactoglobulin, and lactoferrin, for which we investigate the net-charge, molecular dipole moment, and charge capacitance. Over a wide range of pH and salt conditions, excellent agreement is found with more elaborate simulations where salt is explicitly included. The implicit salt scheme is orders of magnitude faster than the explicit analog and allows for transparent interpretation of physical mechanisms. It is shown how the method can be expanded to multiscale modeling of aqueous salt solutions of many biomolecules with nonstatic charge distributions. Important examples are protein-protein aggregation, protein-polyelectrolyte complexation, and protein-membrane association.
Multiscale Modeling of Wear Degradation in Cylinder Liners
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.
Multiscale modeling and simulation of microtubule–motor-protein assemblies
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
Multiscale modeling and simulation of microtubule-motor-protein assemblies.
Gao, Tong; Blackwell, Robert; Glaser, Matthew A; Betterton, M D; Shelley, Michael J
2015-01-01
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.
Multiscale Modeling of Dewetting Damage in Highly Filled Particulate Composites
Geubelle, P. H.; Inglis, H. M.; Kramer, J. D.; Patel, J. J.; Kumar, N. C.; Tan, H.
2008-02-01
Particle debonding or dewetting constitutes one of the key damage processes in highly filled particulate composites such as solid propellant and other energetic materials. To analyze this failure process, we have developed a multiscale finite element framework that combines, at the microscale, a nonlinear description of the binder response with a cohesive model of the damage process taking place in a representative periodic unit cell (PUC). To relate micro-scale damage to the macroscopic constitutive response of the material, we employ the mathematical theory of homogenization (MTH). After a description of the numerical scheme, we present the results of the damage response of a highly filled particulate composite subjected to a uniaxial macroscopic strain, and show the direct correlation between the complex damage processes taking place in the PUC and the nonlinear macroscopic constitutive response. We also present a detailed study of the PUC size and a comparison between the finite element MTH-based study and a micromechanics model of the dewetting process.
A multiscale crack-bridging model of cellulose nanopaper
Meng, Qinghua; Li, Bo; Li, Teng; Feng, Xi-Qiao
2017-06-01
The conflict between strength and toughness is a long-standing challenge in advanced materials design. Recently, a fundamental bottom-up material design strategy has been demonstrated using cellulose nanopaper to achieve significant simultaneous increase in both strength and toughness. Fertile opportunities of such a design strategy aside, mechanistic understanding is much needed to thoroughly explore its full potential. To this end, here we establish a multiscale crack-bridging model to reveal the toughening mechanisms in cellulose nanopaper. A cohesive law is developed to characterize the interfacial properties between cellulose nanofibrils by considering their hydrogen bonding nature. In the crack-bridging zone, the hydrogen bonds between neighboring cellulose nanofibrils may break and reform at the molecular scale, rendering a superior toughness at the macroscopic scale. It is found that cellulose nanofibrils exhibit a distinct size-dependence in enhancing the fracture toughness of cellulose nanopaper. An optimal range of the length-to-radius ratio of nanofibrils is required to achieve higher fracture toughness of cellulose nanopaper. A unified law is proposed to correlate the fracture toughness of cellulose nanopaper with its microstructure and material parameters. The results obtained from this model agree well with relevant experiments. This work not only helps decipher the fundamental mechanisms underlying the remarkable mechanical properties of cellulose nanopaper but also provides a guide to design a wide range of advanced functional materials.
ESCOMPTE 2001: multi-scale modelling and experimental validation
Cousin, F.; Tulet, P.; Rosset, R.
2003-04-01
ESCOMPTE is a European pollution field experiment located in the Marseille / Fos-Berre area in the summer 2001.This Mediterranean area, with frequent pollution peaks, is characterized by a complex topography subject to sea breeze regimes, together with intense localized urban, industrial and biogenic sources. Four POI have been selected, the most significant being POI2a / b, a 6-day pollution episode extensively documented for dynamics, radiation, gas phase and aerosols, with surface measurements (including measurements at sea in the gulf of Genoa, on board instrumented ferries between Marseille and Corsica), 7 aircrafts, lidar, radar and constant-level flight balloon soundings. The two-way mesoscale model MESO-NH-C (MNH-C), with horizontal resolutions of 9 and 3 km and high vertical resolution (up to 40 levels in the first 2 km), embedded in the global CTM Mocage, has been run for all POIs, with a focus here on POI2b (June 24-27,2001), a typical high pollution episode. The multi-scale modelling system MNH-C+MOCAGE allows to simulate local and regional pollution issued from emission sources in the Marseille / Fos-Berre area as well as from remote sources (e.g. the Po Valley and / or western Mediterranean sources) and their associated transboundary pollution fluxes. Detailed dynamical, chemical and aerosol (both modal and sectional spectra with organics and inorganics) simulations generally favorably compare to surface(continental and on ships), lidar and along-flight aircraft measurements.
Hierarchical modeling of cluster size in wildlife surveys
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).
Technical Work Plan for: Additional Multiscale Thermohydrologic Modeling
International Nuclear Information System (INIS)
B. Kirstein
2006-01-01
The primary objective of Revision 04 of the MSTHM report is to provide TSPA with revised repository-wide MSTHM analyses that incorporate updated percolation flux distributions, revised hydrologic properties, updated IEDs, and information pertaining to the emplacement of transport, aging, and disposal (TAD) canisters. The updated design information is primarily related to the incorporation of TAD canisters, but also includes updates related to superseded IEDs describing emplacement drift cross-sectional geometry and layout. The intended use of the results of Revision 04 of the MSTHM report, as described in this TWP, is to predict the evolution of TH conditions (temperature, relative humidity, liquid-phase saturation, and liquid-phase flux) at specified locations within emplacement drifts and in the adjoining near-field host rock along all emplacement drifts throughout the repository. This information directly supports the TSPA for the nominal and seismic scenarios. The revised repository-wide analyses are required to incorporate updated parameters and design information and to extend those analyses out to 1,000,000 years. Note that the previous MSTHM analyses reported in Revision 03 of Multiscale Thermohydrologic Model (BSC 2005 [DIRS 173944]) only extend out to 20,000 years. The updated parameters are the percolation flux distributions, including incorporation of post-10,000-year distributions, and updated calibrated hydrologic property values for the host-rock units. The applied calibrated hydrologic properties will be an updated version of those available in Calibrated Properties Model (BSC 2004 [DIRS 169857]). These updated properties will be documented in an Appendix of Revision 03 of UZ Flow Models and Submodels (BSC 2004 [DIRS 169861]). The updated calibrated properties are applied because they represent the latest available information. The reasonableness of applying the updated calibrated' properties to the prediction of near-fieldin-drift TH conditions
A hierarchical community occurrence model for North Carolina stream fish
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.
Hierarchical Bayesian spatial models for multispecies conservation planning and monitoring.
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
A case study on the influence of multiscale modelling in design and structural analysis
DEFF Research Database (Denmark)
Nicholas, Paul; Zwierzycki, Mateusz; La Magna, Riccardo
2017-01-01
. To illustrate the concept of multi-scale modelling, the prototype of a bridge structure that was realised making use of this information transfer between models will be presented. The prototype primarily takes advantage of the geometric and material stiffening effect of incremental metal forming. The local......The current paper discusses the role of multi-scale modelling within the context of design and structural analysis. Depending on the level of detail, a design model may retain, lose or enhance key information. The term multi-scale refers to the break-down of a design and analysis task into multiple...... levels of detail and the transfer of this information between models. Focusing on the influence that different models have on the analysed performance of the structure, the paper will discuss the advantages and trade-offs of coupling multiple levels of abstraction in terms of design and structure...
Multiscale modeling of the dynamics of multicellular systems
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
Multiscale Micromechanical Modeling of Polymer/Clay Nanocomposites and the Effective Clay Particle
Sheng, Nuo; Boyce, Mary C.; Parks, David M.; Manovitch, Oleg; Rutledge, Gregory C.; Lee, Hojun; McKinley, Gareth H.
2003-03-01
Polymer/clay nanocomposites have been observed to exhibit enhanced mechanical properties at low weight fractions (Wp) of clay. Continuum-based composite modeling reveals that the enhanced properties are strongly dependent on particular features of the second-phase ¡°particles¡+/-; in particular, the particle volume fraction (fp), the particle aspect ratio (L/t), and the ratio of particle mechanical properties to those of the matrix. However, these important aspects of as-processed nanoclay composites have yet to be consistently and accurately defined. A multiscale modeling strategy was developed to account for the hierarchical morphology of the nanocomposite: at a lengthscale of thousands of microns, the structure is one of high aspect ratio particles within a matrix; at the lengthscale of microns, the clay particle structure is either (a) exfoliated clay sheets of nanometer level thickness or (b) stacks of parallel clay sheets separated from one another by interlayer galleries of nanometer level height. Here, quantitative structural parameters extracted from XRD patterns and TEM micrographs are used to determine geometric features of the as-processed clay ¡°particles¡+/-, including L/t and the ratio of fp to Wp. These geometric features, together with estimates of silicate lamina stiffness obtained from molecular dynamics simulations, provide a basis for modeling effective mechanical properties of the clay particle. The structure-based predictions of the macroscopic elastic modulus of the nanocomposite as a function of clay weight fraction are in excellent agreement with experimental data. The adopted methodology offers promise for study of related properties in polymer/clay nanocomposites.
Linguistic steganography on Twitter: hierarchical language modeling with manual interaction
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.
Hierarchical Swarm Model: A New Approach to Optimization
Directory of Open Access Journals (Sweden)
Hanning Chen
2010-01-01
Full Text Available This paper presents a novel optimization model called hierarchical swarm optimization (HSO, which simulates the natural hierarchical complex system from where more complex intelligence can emerge for complex problems solving. This proposed model is intended to suggest ways that the performance of HSO-based algorithms on complex optimization problems can be significantly improved. This performance improvement is obtained by constructing the HSO hierarchies, which means that an agent in a higher level swarm can be composed of swarms of other agents from lower level and different swarms of different levels evolve on different spatiotemporal scale. A novel optimization algorithm (named PS2O, based on the HSO model, is instantiated and tested to illustrate the ideas of HSO model clearly. Experiments were conducted on a set of 17 benchmark optimization problems including both continuous and discrete cases. The results demonstrate remarkable performance of the PS2O algorithm on all chosen benchmark functions when compared to several successful swarm intelligence and evolutionary algorithms.
State-of-the-Art Report on Multi-scale Modelling of Nuclear Fuels
International Nuclear Information System (INIS)
Bartel, T.J.; Dingreville, R.; Littlewood, D.; Tikare, V.; Bertolus, M.; Blanc, V.; Bouineau, V.; Carlot, G.; Desgranges, C.; Dorado, B.; Dumas, J.C.; Freyss, M.; Garcia, P.; Gatt, J.M.; Gueneau, C.; Julien, J.; Maillard, S.; Martin, G.; Masson, R.; Michel, B.; Piron, J.P.; Sabathier, C.; Skorek, R.; Toffolon, C.; Valot, C.; Van Brutzel, L.; Besmann, Theodore M.; Chernatynskiy, A.; Clarno, K.; Gorti, S.B.; Radhakrishnan, B.; Devanathan, R.; Dumont, M.; Maugis, P.; El-Azab, A.; Iglesias, F.C.; Lewis, B.J.; Krack, M.; Yun, Y.; Kurata, M.; Kurosaki, K.; Largenton, R.; Lebensohn, R.A.; Malerba, L.; Oh, J.Y.; Phillpot, S.R.; Tulenko, J. S.; Rachid, J.; Stan, M.; Sundman, B.; Tonks, M.R.; Williamson, R.; Van Uffelen, P.; Welland, M.J.; Valot, Carole; Stan, Marius; Massara, Simone; Tarsi, Reka
2015-10-01
The Nuclear Science Committee (NSC) of the Nuclear Energy Agency (NEA) has undertaken an ambitious programme to document state-of-the-art of modelling for nuclear fuels and structural materials. The project is being performed under the Working Party on Multi-Scale Modelling of Fuels and Structural Material for Nuclear Systems (WPMM), which has been established to assess the scientific and engineering aspects of fuels and structural materials, describing multi-scale models and simulations as validated predictive tools for the design of nuclear systems, fuel fabrication and performance. The WPMM's objective is to promote the exchange of information on models and simulations of nuclear materials, theoretical and computational methods, experimental validation and related topics. It also provides member countries with up-to-date information, shared data, models, and expertise. The goal is also to assess needs for improvement and address them by initiating joint efforts. The WPMM reviews and evaluates multi-scale modelling and simulation techniques currently employed in the selection of materials used in nuclear systems. It serves to provide advice to the nuclear community on the developments needed to meet the requirements of modelling for the design of different nuclear systems. The original WPMM mandate had three components (Figure 1), with the first component currently completed, delivering a report on the state-of-the-art of modelling of structural materials. The work on modelling was performed by three expert groups, one each on Multi-Scale Modelling Methods (M3), Multi-Scale Modelling of Fuels (M2F) and Structural Materials Modelling (SMM). WPMM is now composed of three expert groups and two task forces providing contributions on multi-scale methods, modelling of fuels and modelling of structural materials. This structure will be retained, with the addition of task forces as new topics are developed. The mandate of the Expert Group on Multi-Scale Modelling of
Multiscale Multiphysics and Multidomain Models I: Basic Theory.
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
A rate-dependent multi-scale crack model for concrete
Karamnejad, A.; Nguyen, V.P.; Sluys, L.J.
2013-01-01
A multi-scale numerical approach for modeling cracking in heterogeneous quasi-brittle materials under dynamic loading is presented. In the model, a discontinuous crack model is used at macro-scale to simulate fracture and a gradient-enhanced damage model has been used at meso-scale to simulate
Multiscale Modeling of Hydrogen Embrittlement for Multiphase Material
Al-Jabr, Khalid A.
2014-05-01
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 first 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 effects 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 profile of a notched, round bar under tension for different 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 bond formulation and breaking. The MD analyses are conducted for both single grain and polycrystalline BCC iron with different amounts of hydrogen and different size of nano-voids. The simulations show that the hydrogen atoms could form the transmission in materials configuration from BCC to FCC (Face Centered Cubic) and HCP (Hexagonal Close Packed). They also suggest the preferred sites of hydrogen for
Multiscale Modeling of Wear Degradation in Cylinder Liners
Moraes, Alvaro; Ruggeri, Fabrizio; Tempone, Raul; Vilanova, Pedro
2014-01-01
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
Multiscale Modeling of Fracture Processes in Cementitious Materials
Qian, Z.
2012-01-01
Concrete is a composite construction material, which is composed primarily of coarse aggregates, sands and cement paste. The fracture processes in concrete are complicated, because of the multiscale and multiphase nature of the material. In the past decades, comprehensive effort has been put to
Hybrid continuum–molecular modelling of multiscale internal gas flows
International Nuclear Information System (INIS)
Patronis, Alexander; Lockerby, Duncan A.; Borg, Matthew K.; Reese, Jason M.
2013-01-01
We develop and apply an efficient multiscale method for simulating a large class of low-speed internal rarefied gas flows. The method is an extension of the hybrid atomistic–continuum approach proposed by Borg et al. (2013) [28] for the simulation of micro/nano flows of high-aspect ratio. The major new extensions are: (1) incorporation of fluid compressibility; (2) implementation using the direct simulation Monte Carlo (DSMC) method for dilute rarefied gas flows, and (3) application to a broader range of geometries, including periodic, non-periodic, pressure-driven, gravity-driven and shear-driven internal flows. The multiscale method is applied to micro-scale gas flows through a periodic converging–diverging channel (driven by an external acceleration) and a non-periodic channel with a bend (driven by a pressure difference), as well as the flow between two eccentric cylinders (with the inner rotating relative to the outer). In all these cases there exists a wide variation of Knudsen number within the geometries, as well as substantial compressibility despite the Mach number being very low. For validation purposes, our multiscale simulation results are compared to those obtained from full-scale DSMC simulations: very close agreement is obtained in all cases for all flow variables considered. Our multiscale simulation is an order of magnitude more computationally efficient than the full-scale DSMC for the first and second test cases, and two orders of magnitude more efficient for the third case
The Realized Hierarchical Archimedean Copula in Risk Modelling
Directory of Open Access Journals (Sweden)
Ostap Okhrin
2017-06-01
Full Text Available This paper introduces the concept of the realized hierarchical Archimedean copula (rHAC. The proposed approach inherits the ability of the copula to capture the dependencies among financial time series, and combines it with additional information contained in high-frequency data. The considered model does not suffer from the curse of dimensionality, and is able to accurately predict high-dimensional distributions. This flexibility is obtained by using a hierarchical structure in the copula. The time variability of the model is provided by daily forecasts of the realized correlation matrix, which is used to estimate the structure and the parameters of the rHAC. Extensive simulation studies show the validity of the estimator based on this realized correlation matrix, and its performance, in comparison to the benchmark models. The application of the estimator to one-day-ahead Value at Risk (VaR prediction using high-frequency data exhibits good forecasting properties for a multivariate portfolio.
A Multi-scale Modeling System with Unified Physics to Study Precipitation Processes
Tao, W. K.
2017-12-01
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 (1) a cloud-resolving model (Goddard Cumulus Ensemble model, GCE model), (2) a regional scale model (a NASA unified weather research and forecast, WRF), and (3) a coupled CRM and global model (Goddard Multi-scale Modeling Framework, MMF). 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 results from using multi-scale modeling system to study the precipitation, processes and their sensitivity on model resolution and microphysics schemes will be presented. Also how to use of the multi-satellite simulator to improve precipitation processes will be discussed.
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.
A stochastic multiscale framework for modeling flow through random heterogeneous porous media
International Nuclear Information System (INIS)
Ganapathysubramanian, B.; Zabaras, N.
2009-01-01
Flow through porous media is ubiquitous, occurring from large geological scales down to the microscopic scales. Several critical engineering phenomena like contaminant spread, nuclear waste disposal and oil recovery rely on accurate analysis and prediction of these multiscale phenomena. Such analysis is complicated by inherent uncertainties as well as the limited information available to characterize the system. Any realistic modeling of these transport phenomena has to resolve two key issues: (i) the multi-length scale variations in permeability that these systems exhibit, and (ii) the inherently limited information available to quantify these property variations that necessitates posing these phenomena as stochastic processes. A stochastic variational multiscale formulation is developed to incorporate uncertain multiscale features. A stochastic analogue to a mixed multiscale finite element framework is used to formulate the physical stochastic multiscale process. Recent developments in linear and non-linear model reduction techniques are used to convert the limited information available about the permeability variation into a viable stochastic input model. An adaptive sparse grid collocation strategy is used to efficiently solve the resulting stochastic partial differential equations (SPDEs). The framework is applied to analyze flow through random heterogeneous media when only limited statistics about the permeability variation are given
Learning Hierarchical User Interest Models from Web Pages
Institute of Scientific and Technical Information of China (English)
无
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.
Kojic, M; Milosevic, M; Kojic, N; Kim, K; Ferrari, M; Ziemys, A
2014-02-01
Mass transport by diffusion within composite materials may depend not only on internal microstructural geometry, but also on the chemical interactions between the transported substance and the material of the microstructure. Retrospectively, there is a gap in methods and theory to connect material microstructure properties with macroscale continuum diffusion characteristics. Here we present a new hierarchical multiscale model for diffusion within composite materials that couples material microstructural geometry and interactions between diffusing particles and the material matrix. This model, which bridges molecular dynamics (MD) and the finite element (FE) method, is employed to construct a continuum diffusion model based on a novel numerical homogenization procedure. The procedure is general and robust for evaluating constitutive material parameters of the continuum model. These parameters include the traditional bulk diffusion coefficients and, additionally, the distances from the solid surface accounting for surface interaction effects. We implemented our models to glucose diffusion through the following two geometrical/material configurations: tightly packed silica nanospheres, and a complex fibrous structure surrounding nanospheres. Then, rhodamine 6G diffusion analysis through an aga-rose gel network was performed, followed by a model validation using our experimental results. The microstructural model, numerical homogenization and continuum model offer a new platform for modeling and predicting mass diffusion through complex biological environment and within composite materials that are used in a wide range of applications, like drug delivery and nanoporous catalysts.
Kojic, M.; Milosevic, M.; Kojic, N.; Kim, K.; Ferrari, M.; Ziemys, A.
2014-01-01
Mass transport by diffusion within composite materials may depend not only on internal microstructural geometry, but also on the chemical interactions between the transported substance and the material of the microstructure. Retrospectively, there is a gap in methods and theory to connect material microstructure properties with macroscale continuum diffusion characteristics. Here we present a new hierarchical multiscale model for diffusion within composite materials that couples material microstructural geometry and interactions between diffusing particles and the material matrix. This model, which bridges molecular dynamics (MD) and the finite element (FE) method, is employed to construct a continuum diffusion model based on a novel numerical homogenization procedure. The procedure is general and robust for evaluating constitutive material parameters of the continuum model. These parameters include the traditional bulk diffusion coefficients and, additionally, the distances from the solid surface accounting for surface interaction effects. We implemented our models to glucose diffusion through the following two geometrical/material configurations: tightly packed silica nanospheres, and a complex fibrous structure surrounding nanospheres. Then, rhodamine 6G diffusion analysis through an aga-rose gel network was performed, followed by a model validation using our experimental results. The microstructural model, numerical homogenization and continuum model offer a new platform for modeling and predicting mass diffusion through complex biological environment and within composite materials that are used in a wide range of applications, like drug delivery and nanoporous catalysts. PMID:24578582
International Nuclear Information System (INIS)
Paszynski, Maciej; Gurgul, Piotr; Sieniek, Marcin; Pardo, David
2010-01-01
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.
Mineral Precipitation in Fractures: Multiscale Imaging and Geochemical Modeling
Hajirezaie, S.; Peters, C. A.; Swift, A.; Sheets, J. M.; Cole, D. R.; Crandall, D.; Cheshire, M.; Stack, A. G.; Anovitz, L. M.
2017-12-01
For subsurface energy technologies such as geologic carbon sequestration, fractures are potential pathways for fluid migration from target formations. Highly permeable fractures may become sealed by mineral precipitation. In this study, we examined shale specimens with existing cemented fractures as natural analogues, using an array of imaging methods to characterize mineralogy and porosity at several spatial scales. In addition, we used reactive transport modeling to investigate geochemical conditions that can lead to extensive mineral precipitation and to simulate the impacts on fracture hydraulic properties. The naturally-cemented fractured rock specimens were from the Upper Wolfcamp formation in Texas, at 10,000 ft depth. The specimens were scanned using x-ray computed tomography (xCT) at resolution of 13 microns. The xCT images revealed an original fracture aperture of 1.9 mm filled with several distinct mineral phases and vuggy void regions, and the mineral phase volumes and surface areas were quantified and mapped in 3D. Specimens were thin-sectioned and examined at micron- and submicron-scales using petrographic microscopy (PM), scanning electron microscopy (SEM), energy dispersive X-ray spectroscopy (EDX), and small angle X-ray scattering (SAXS). Collectively these methods revealed crystals of dolomite as large as 900 microns in length overlain with a heterogeneous mixture of carbonate minerals including calcite, dolomite, and Fe-rich dolomite, interspersed at spatial scales as small as 5 microns. In addition, secondary precipitation of SiO2 was found to fill some of the void space. This multiscale imaging was used to inform the reactive transport modeling employed to examine the conditions that can cause the observed mineral precipitation in fractures at a larger scale. Two brines containing solutions that when mixed would lead to precipitation of various carbonate minerals were simulated as injectants into a fracture domain. In particular, the competing
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.
Energy Technology Data Exchange (ETDEWEB)
Mehrez, Loujaine [University of Southern California; Ghanem, Roger [University of Southern California; McAuliffe, Colin [Altair Engineering, Inc.; Aitharaju, Venkat [General Motors; Rodgers, William [General Motors
2016-06-06
multiscale framework to construct stochastic macroscopic constitutive material models is proposed. A spectral projection approach, specifically polynomial chaos expansion, has been used to construct explicit functional relationships between the homogenized properties and input parameters from finer scales. A homogenization engine embedded in Multiscale Designer, software for composite materials, has been used for the upscaling process. The framework is demonstrated using non-crimp fabric composite materials by constructing probabilistic models of the homogenized properties of a non-crimp fabric laminate in terms of the input parameters together with the homogenized properties from finer scales.
Tractography segmentation using a hierarchical Dirichlet processes mixture model.
Wang, Xiaogang; Grimson, W Eric L; Westin, Carl-Fredrik
2011-01-01
In this paper, we propose a new nonparametric Bayesian framework to cluster white matter fiber tracts into bundles using a hierarchical Dirichlet processes mixture (HDPM) model. The number of clusters is automatically learned driven by data with a Dirichlet process (DP) prior instead of being manually specified. After the models of bundles have been learned from training data without supervision, they can be used as priors to cluster/classify fibers of new subjects for comparison across subjects. When clustering fibers of new subjects, new clusters can be created for structures not observed in the training data. Our approach does not require computing pairwise distances between fibers and can cluster a huge set of fibers across multiple subjects. We present results on several data sets, the largest of which has more than 120,000 fibers. Copyright © 2010 Elsevier Inc. All rights reserved.
Hierarchical decision modeling essays in honor of Dundar F. Kocaoglu
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...
Multiscale Methods for Accurate, Efficient, and Scale-Aware Models
Energy Technology Data Exchange (ETDEWEB)
Larson, Vincent [Univ. of Wisconsin, Milwaukee, WI (United States)
2017-07-14
The goal of UWM’s portion of the Multiscale project was to develop a unified cloud parameterization that could simulate all cloud types --- including stratocumulus, shallow cumulus, and deep cumulus --- using the single equation set implemented in CLUBB. An advantage of a unified parameterization methodology is that it avoids the difficult task of interfacing different cloud parameterizations for different cloud types. To interface CLUBB’s clouds to the microphysics, a Monte Carlo interface, SILHS, was further developed.
A multi-scale energy demand model suggests sharing market risks with intelligent energy cooperatives
G. Methenitis (Georgios); M. Kaisers (Michael); J.A. La Poutré (Han)
2015-01-01
textabstractIn 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
Multi-scale modeling of dispersed gas-liquid two-phase flow
Deen, N.G.; Sint Annaland, van M.; Kuipers, J.A.M.
2004-01-01
In this work the concept of multi-scale modeling is demonstrated. The idea of this approach is to use different levels of modeling, each developed to study phenomena at a certain length scale. Information obtained at the level of small length scales can be used to provide closure information at the
Barcelos Carneiro M Rocha, Iuri; van der Meer, F.P.; Nijssen, RPL; Sluijs, Bert
2017-01-01
In this work, a numerical framework for modelling of hygrothermal ageing in laminated composites is proposed. The model consists of a macroscopic diffusion analysis based on Fick's second law coupled with a multiscale FE^{2} stress analysis in order to take microscopic degradation
Regulator Loss Functions and Hierarchical Modeling for Safety Decision Making.
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.
Advanced computational workflow for the multi-scale modeling of the bone metabolic processes.
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.
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.
Towards distributed multiscale computing for the VPH
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
Application of hierarchical genetic models to Raven and WAIS subtests: a Dutch twin study
Rijsdijk, F.V.; Vernon, P.A.; Boomsma, D.I.
2002-01-01
Hierarchical models of intelligence are highly informative and widely accepted. Application of these models to twin data, however, is sparse. This paper addresses the question of how a genetic hierarchical model fits the Wechsler Adult Intelligence Scale (WAIS) subtests and the Raven Standard
Chiverton, John P; Ige, Olubisi; Barnett, Stephanie J; Parry, Tony
2017-11-01
This paper is concerned with the modeling and analysis of the orientation and distance between steel fibers in X-ray micro-tomography data. The advantage of combining both orientation and separation in a model is that it helps provide a detailed understanding of how the steel fibers are arranged, which is easy to compare. The developed models are designed to summarize the randomness of the orientation distribution of the steel fibers both locally and across an entire volume based on multiscale entropy. Theoretical modeling, simulation, and application to real imaging data are shown here. The theoretical modeling of multiscale entropy for orientation includes a proof showing the final form of the multiscale taken over a linear range of scales. A series of image processing operations are also included to overcome interslice connectivity issues to help derive the statistical descriptions of the orientation distributions of the steel fibers. The results demonstrate that multiscale entropy provides unique insights into both simulated and real imaging data of steel fiber reinforced concrete.
Multi-scale modeling of spin transport in organic semiconductors
Hemmatiyan, Shayan; Souza, Amaury; Kordt, Pascal; McNellis, Erik; Andrienko, Denis; Sinova, Jairo
In this work, we present our theoretical framework to simulate simultaneously spin and charge transport in amorphous organic semiconductors. By combining several techniques e.g. molecular dynamics, density functional theory and kinetic Monte Carlo, we are be able to study spin transport in the presence of anisotropy, thermal effects, magnetic and electric field effects in a realistic morphologies of amorphous organic systems. We apply our multi-scale approach to investigate the spin transport in amorphous Alq3 (Tris(8-hydroxyquinolinato)aluminum) and address the underlying spin relaxation mechanism in this system as a function of temperature, bias voltage, magnetic field and sample thickness.
MODELING THE RED SEQUENCE: HIERARCHICAL GROWTH YET SLOW LUMINOSITY EVOLUTION
International Nuclear Information System (INIS)
Skelton, Rosalind E.; Bell, Eric F.; Somerville, Rachel S.
2012-01-01
We explore the effects of mergers on the evolution of massive early-type galaxies by modeling the evolution of their stellar populations in a hierarchical context. We investigate how a realistic red sequence population set up by z ∼ 1 evolves under different assumptions for the merger and star formation histories, comparing changes in color, luminosity, and mass. The purely passive fading of existing red sequence galaxies, with no further mergers or star formation, results in dramatic changes at the bright end of the luminosity function and color-magnitude relation. Without mergers there is too much evolution in luminosity at a fixed space density compared to observations. The change in color and magnitude at a fixed mass resembles that of a passively evolving population that formed relatively recently, at z ∼ 2. Mergers among the red sequence population ('dry mergers') occurring after z = 1 build up mass, counteracting the fading of the existing stellar populations to give smaller changes in both color and luminosity for massive galaxies. By allowing some galaxies to migrate from the blue cloud onto the red sequence after z = 1 through gas-rich mergers, younger stellar populations are added to the red sequence. This manifestation of the progenitor bias increases the scatter in age and results in even smaller changes in color and luminosity between z = 1 and z = 0 at a fixed mass. The resultant evolution appears much slower, resembling the passive evolution of a population that formed at high redshift (z ∼ 3-5), and is in closer agreement with observations. We conclude that measurements of the luminosity and color evolution alone are not sufficient to distinguish between the purely passive evolution of an old population and cosmologically motivated hierarchical growth, although these scenarios have very different implications for the mass growth of early-type galaxies over the last half of cosmic history.
Multiscale musculoskeletal modelling, data–model fusion and electromyography-informed modelling
Zhang, J.; Heidlauf, T.; Sartori, M.; Besier, T.; Röhrle, O.; Lloyd, D.
2016-01-01
This paper proposes methods and technologies that advance the state of the art for modelling the musculoskeletal system across the spatial and temporal scales; and storing these using efficient ontologies and tools. We present population-based modelling as an efficient method to rapidly generate individual morphology from only a few measurements and to learn from the ever-increasing supply of imaging data available. We present multiscale methods for continuum muscle and bone models; and efficient mechanostatistical methods, both continuum and particle-based, to bridge the scales. Finally, we examine both the importance that muscles play in bone remodelling stimuli and the latest muscle force prediction methods that use electromyography-assisted modelling techniques to compute musculoskeletal forces that best reflect the underlying neuromuscular activity. Our proposal is that, in order to have a clinically relevant virtual physiological human, (i) bone and muscle mechanics must be considered together; (ii) models should be trained on population data to permit rapid generation and use underlying principal modes that describe both muscle patterns and morphology; and (iii) these tools need to be available in an open-source repository so that the scientific community may use, personalize and contribute to the database of models. PMID:27051510
Energy Technology Data Exchange (ETDEWEB)
None
2017-04-01
This factsheet describes a project that developed and demonstrated a new manufacturing-informed design framework that utilizes advanced multi-scale, physics-based process modeling to dramatically improve manufacturing productivity and quality in machining operations while reducing the cost of machined components.
Multi-time, multi-scale correlation functions in turbulence and in turbulent models
Biferale, L.; Boffetta, G.; Celani, A.; Toschi, F.
1999-01-01
A multifractal-like representation for multi-time, multi-scale velocity correlation in turbulence and dynamical turbulent models is proposed. The importance of subleading contributions to time correlations is highlighted. The fulfillment of the dynamical constraints due to the equations of motion is
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...
Multi-scale modeling with cellular automata: The complex automata approach
Hoekstra, A.G.; Falcone, J.-L.; Caiazzo, A.; Chopard, B.
2008-01-01
Cellular Automata are commonly used to describe complex natural phenomena. In many cases it is required to capture the multi-scale nature of these phenomena. A single Cellular Automata model may not be able to efficiently simulate a wide range of spatial and temporal scales. It is our goal to
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.
Bayesian Hierarchical Random Effects Models in Forensic Science
Directory of Open Access Journals (Sweden)
Colin G. G. Aitken
2018-04-01
Full Text Available Statistical modeling of the evaluation of evidence with the use of the likelihood ratio has a long history. It dates from the Dreyfus case at the end of the nineteenth century through the work at Bletchley Park in the Second World War to the present day. The development received a significant boost in 1977 with a seminal work by Dennis Lindley which introduced a Bayesian hierarchical random effects model for the evaluation of evidence with an example of refractive index measurements on fragments of glass. Many models have been developed since then. The methods have now been sufficiently well-developed and have become so widespread that it is timely to try and provide a software package to assist in their implementation. With that in mind, a project (SAILR: Software for the Analysis and Implementation of Likelihood Ratios was funded by the European Network of Forensic Science Institutes through their Monopoly programme to develop a software package for use by forensic scientists world-wide that would assist in the statistical analysis and implementation of the approach based on likelihood ratios. It is the purpose of this document to provide a short review of a small part of this history. The review also provides a background, or landscape, for the development of some of the models within the SAILR package and references to SAILR as made as appropriate.
Bayesian Hierarchical Random Effects Models in Forensic Science.
Aitken, Colin G G
2018-01-01
Statistical modeling of the evaluation of evidence with the use of the likelihood ratio has a long history. It dates from the Dreyfus case at the end of the nineteenth century through the work at Bletchley Park in the Second World War to the present day. The development received a significant boost in 1977 with a seminal work by Dennis Lindley which introduced a Bayesian hierarchical random effects model for the evaluation of evidence with an example of refractive index measurements on fragments of glass. Many models have been developed since then. The methods have now been sufficiently well-developed and have become so widespread that it is timely to try and provide a software package to assist in their implementation. With that in mind, a project (SAILR: Software for the Analysis and Implementation of Likelihood Ratios) was funded by the European Network of Forensic Science Institutes through their Monopoly programme to develop a software package for use by forensic scientists world-wide that would assist in the statistical analysis and implementation of the approach based on likelihood ratios. It is the purpose of this document to provide a short review of a small part of this history. The review also provides a background, or landscape, for the development of some of the models within the SAILR package and references to SAILR as made as appropriate.
Renormalization group analysis of a simple hierarchical fermion model
International Nuclear Information System (INIS)
Dorlas, T.C.
1991-01-01
A simple hierarchical fermion model is constructed which gives rise to an exact renormalization transformation in a 2-dimensional parameter space. The behaviour of this transformation is studied. It has two hyperbolic fixed points for which the existence of a global critical line is proven. The asymptotic behaviour of the transformation is used to prove the existence of the thermodynamic limit in a certain domain in parameter space. Also the existence of a continuum limit for these theories is investigated using information about the asymptotic renormalization behaviour. It turns out that the 'trivial' fixed point gives rise to a two-parameter family of continuum limits corresponding to that part of parameter space where the renormalization trajectories originate at this fixed point. Although the model is not very realistic it serves as a simple example of the appliclation of the renormalization group to proving the existence of the thermodynamic limit and the continuum limit of lattice models. Moreover, it illustrates possible complications that can arise in global renormalization group behaviour, and that might also be present in other models where no global analysis of the renormalization transformation has yet been achieved. (orig.)
Testing adaptive toolbox models: a Bayesian hierarchical approach.
Scheibehenne, Benjamin; Rieskamp, Jörg; Wagenmakers, Eric-Jan
2013-01-01
Many theories of human cognition postulate that people are equipped with a repertoire of strategies to solve the tasks they face. This theoretical framework of a cognitive toolbox provides a plausible account of intra- and interindividual differences in human behavior. Unfortunately, it is often unclear how to rigorously test the toolbox framework. How can a toolbox model be quantitatively specified? How can the number of toolbox strategies be limited to prevent uncontrolled strategy sprawl? How can a toolbox model be formally tested against alternative theories? The authors show how these challenges can be met by using Bayesian inference techniques. By means of parameter recovery simulations and the analysis of empirical data across a variety of domains (i.e., judgment and decision making, children's cognitive development, function learning, and perceptual categorization), the authors illustrate how Bayesian inference techniques allow toolbox models to be quantitatively specified, strategy sprawl to be contained, and toolbox models to be rigorously tested against competing theories. The authors demonstrate that their approach applies at the individual level but can also be generalized to the group level with hierarchical Bayesian procedures. The suggested Bayesian inference techniques represent a theoretical and methodological advancement for toolbox theories of cognition and behavior.
A multi-scale modeling of surface effect via the modified boundary Cauchy-Born model
Energy Technology Data Exchange (ETDEWEB)
Khoei, A.R., E-mail: arkhoei@sharif.edu; Aramoon, A.
2012-10-01
In this paper, a new multi-scale approach is presented based on the modified boundary Cauchy-Born (MBCB) technique to model the surface effects of nano-structures. The salient point of the MBCB model is the definition of radial quadrature used in the surface elements which is an indicator of material behavior. The characteristics of quadrature are derived by interpolating data from atoms laid in a circular support around the quadrature, in a least-square scene. The total-Lagrangian formulation is derived for the equivalent continua by employing the Cauchy-Born hypothesis for calculating the strain energy density function of the continua. The numerical results of the proposed method are compared with direct atomistic and finite element simulation results to indicate that the proposed technique provides promising results for modeling surface effects of nano-structures. - Highlights: Black-Right-Pointing-Pointer A multi-scale approach is presented to model the surface effects in nano-structures. Black-Right-Pointing-Pointer The total-Lagrangian formulation is derived by employing the Cauchy-Born hypothesis. Black-Right-Pointing-Pointer The radial quadrature is used to model the material behavior in surface elements. Black-Right-Pointing-Pointer The quadrature characteristics are derived using the data at the atomistic level.
Ker, H. W.
2014-01-01
Multilevel data are very common in educational research. Hierarchical linear models/linear mixed-effects models (HLMs/LMEs) are often utilized to analyze multilevel data nowadays. This paper discusses the problems of utilizing ordinary regressions for modeling multilevel educational data, compare the data analytic results from three regression…
Hierarchical Bayesian modelling of mobility metrics for hazard model input calibration
Calder, Eliza; Ogburn, Sarah; Spiller, Elaine; Rutarindwa, Regis; Berger, Jim
2015-04-01
In this work we present a method to constrain flow mobility input parameters for pyroclastic flow models using hierarchical Bayes modeling of standard mobility metrics such as H/L and flow volume etc. The advantage of hierarchical modeling is that it can leverage the information in global dataset for a particular mobility metric in order to reduce the uncertainty in modeling of an individual volcano, especially important where individual volcanoes have only sparse datasets. We use compiled pyroclastic flow runout data from Colima, Merapi, Soufriere Hills, Unzen and Semeru volcanoes, presented in an open-source database FlowDat (https://vhub.org/groups/massflowdatabase). While the exact relationship between flow volume and friction varies somewhat between volcanoes, dome collapse flows originating from the same volcano exhibit similar mobility relationships. Instead of fitting separate regression models for each volcano dataset, we use a variation of the hierarchical linear model (Kass and Steffey, 1989). The model presents a hierarchical structure with two levels; all dome collapse flows and dome collapse flows at specific volcanoes. The hierarchical model allows us to assume that the flows at specific volcanoes share a common distribution of regression slopes, then solves for that distribution. We present comparisons of the 95% confidence intervals on the individual regression lines for the data set from each volcano as well as those obtained from the hierarchical model. The results clearly demonstrate the advantage of considering global datasets using this technique. The technique developed is demonstrated here for mobility metrics, but can be applied to many other global datasets of volcanic parameters. In particular, such methods can provide a means to better contain parameters for volcanoes for which we only have sparse data, a ubiquitous problem in volcanology.
A hierarchical network modeling method for railway tunnels safety assessment
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.
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.
Physically based multiscale-viscoplastic model for metals and steel alloys: Theory and computation
Abed, Farid H.
The main requirement of large deformation problems such as high-speed machining, impact, and various primarily metal forming, is to develop constitutive relations which are widely applicable and capable of accounting for complex paths of deformation. Achieving such desirable goals for material like metals and steel alloys involves a comprehensive study of their microstructures and experimental observations under different loading conditions. In general, metal structures display a strong rate- and temperature-dependence when deformed non-uniformly into the inelastic range. This effect has important implications for an increasing number of applications in structural and engineering mechanics. The mechanical behavior of these applications cannot be characterized by classical (rate-independent) continuum theories because they incorporate no 'material length scales'. It is therefore necessary to develop a rate-dependent (viscoplasticity) continuum theory bridging the gap between the classical continuum theories and the microstructure simulations. Physically based vicoplasticity models for different types of metals (body centered cubic, face centered cubic and hexagonal close-packed) and steel alloys are derived in this work for this purpose. We adopt a multi-scale, hierarchical thermodynamic consistent framework to construct the material constitutive relations for the rate-dependent behavior. The concept of thermal activation energy, dislocations interactions mechanisms and the role of dislocations dynamics in crystals are used in the derivation process taking into consideration the contribution of the plastic strain evolution of dislocation density to the flow stress of polycrystalline metals. Material length scales are implicitly introduced into the governing equations through material rate-dependency (viscosity). The proposed framework is implemented into the commercially well-known finite element software ABAQUS. The finite element simulations of material
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.
International Nuclear Information System (INIS)
Montazeri, A.; Sadeghi, M.; Naghdabadi, R.; Rafii-Tabar, H.
2011-01-01
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 o orientation. → The total shear load sustained is greatest in the case of 45 o orientation.
Multi-Scale Modelling of the Gamma Radiolysis of Nitrate Solutions
Horne, Gregory; Donoclift, Thomas; Sims, Howard E.; M. Orr, Robin; Pimblott, Simon
2016-01-01
A multi-scale modelling approach has been developed for the extended timescale long-term radiolysis of aqueous systems. The approach uses a combination of stochastic track structure and track chemistry as well as deterministic homogeneous chemistry techniques and involves four key stages; radiation track structure simulation, the subsequent physicochemical processes, nonhomogeneous diffusion-reaction kinetic evolution, and homogeneous bulk chemistry modelling. The first three components model...
A joint model for multivariate hierarchical semicontinuous data with replications.
Kassahun-Yimer, Wondwosen; Albert, Paul S; Lipsky, Leah M; Nansel, Tonja R; Liu, Aiyi
2017-01-01
Longitudinal data are often collected in biomedical applications in such a way that measurements on more than one response are taken from a given subject repeatedly overtime. For some problems, these multiple profiles need to be modeled jointly to get insight on the joint evolution and/or association of these responses over time. In practice, such longitudinal outcomes may have many zeros that need to be accounted for in the analysis. For example, in dietary intake studies, as we focus on in this paper, some food components are eaten daily by almost all subjects, while others are consumed episodically, where individuals have time periods where they do not eat these components followed by periods where they do. These episodically consumed foods need to be adequately modeled to account for the many zeros that are encountered. In this paper, we propose a joint model to analyze multivariate hierarchical semicontinuous data characterized by many zeros and more than one replicate observations at each measurement occasion. This approach allows for different probability mechanisms for describing the zero behavior as compared with the mean intake given that the individual consumes the food. To deal with the potentially large number of multivariate profiles, we use a pairwise model fitting approach that was developed in the context of multivariate Gaussian random effects models with large number of multivariate components. The novelty of the proposed approach is that it incorporates: (1) multivariate, possibly correlated, response variables; (2) within subject correlation resulting from repeated measurements taken from each subject; (3) many zero observations; (4) overdispersion; and (5) replicate measurements at each visit time.
Directory of Open Access Journals (Sweden)
Dirk Zahn
Full Text Available Fracture mechanisms of an enamel-like hydroxyapatite-collagen composite model are elaborated by means of molecular and coarse-grained dynamics simulation. Using fully atomistic models, we uncover molecular-scale plastic deformation and fracture processes initiated at the organic-inorganic interface. Furthermore, coarse-grained models are developed to investigate fracture patterns at the μm-scale. At the meso-scale, micro-fractures are shown to reduce local stress and thus prevent material failure after loading beyond the elastic limit. On the basis of our multi-scale simulation approach, we provide a molecular scale rationalization of this phenomenon, which seems key to the resilience of hierarchical biominerals, including teeth and bone.
Using Multi-Scale Modeling Systems and Satellite Data to Study the Precipitation Processes
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-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, the recent developments and applications of the multi-scale modeling system will be presented. In particular, the results from using multi-scale modeling system to study the precipitating systems and hurricanes/typhoons will be presented. The high-resolution spatial and temporal visualization will be utilized to show the evolution of precipitation processes. Also how to
Simulation of left atrial function using a multi-scale model of the cardiovascular system.
Directory of Open Access Journals (Sweden)
Antoine Pironet
Full Text Available During a full cardiac cycle, the left atrium successively behaves as a reservoir, a conduit and a pump. This complex behavior makes it unrealistic to apply the time-varying elastance theory to characterize the left atrium, first, because this theory has known limitations, and second, because it is still uncertain whether the load independence hypothesis holds. In this study, we aim to bypass this uncertainty by relying on another kind of mathematical model of the cardiac chambers. In the present work, we describe both the left atrium and the left ventricle with a multi-scale model. The multi-scale property of this model comes from the fact that pressure inside a cardiac chamber is derived from a model of the sarcomere behavior. Macroscopic model parameters are identified from reference dog hemodynamic data. The multi-scale model of the cardiovascular system including the left atrium is then simulated to show that the physiological roles of the left atrium are correctly reproduced. This include a biphasic pressure wave and an eight-shaped pressure-volume loop. We also test the validity of our model in non basal conditions by reproducing a preload reduction experiment by inferior vena cava occlusion with the model. We compute the variation of eight indices before and after this experiment and obtain the same variation as experimentally observed for seven out of the eight indices. In summary, the multi-scale mathematical model presented in this work is able to correctly account for the three roles of the left atrium and also exhibits a realistic left atrial pressure-volume loop. Furthermore, the model has been previously presented and validated for the left ventricle. This makes it a proper alternative to the time-varying elastance theory if the focus is set on precisely representing the left atrial and left ventricular behaviors.
Adaptive hierarchical grid model of water-borne pollutant dispersion
Borthwick, A. G. L.; Marchant, R. D.; Copeland, G. J. M.
Water pollution by industrial and agricultural waste is an increasingly major public health issue. It is therefore important for water engineers and managers to be able to predict accurately the local behaviour of water-borne pollutants. This paper describes the novel and efficient coupling of dynamically adaptive hierarchical grids with standard solvers of the advection-diffusion equation. Adaptive quadtree grids are able to focus on regions of interest such as pollutant fronts, while retaining economy in the total number of grid elements through selective grid refinement. Advection is treated using Lagrangian particle tracking. Diffusion is solved separately using two grid-based methods; one is by explicit finite differences, the other a diffusion-velocity approach. Results are given in two dimensions for pure diffusion of an initially Gaussian plume, advection-diffusion of the Gaussian plume in the rotating flow field of a forced vortex, and the transport of species in a rectangular channel with side wall boundary layers. Close agreement is achieved with analytical solutions of the advection-diffusion equation and simulations from a Lagrangian random walk model. An application to Sepetiba Bay, Brazil is included to demonstrate the method with complex flows and topography.
Hierarchical statistical modeling of xylem vulnerability to cavitation.
Ogle, Kiona; Barber, Jarrett J; Willson, Cynthia; Thompson, Brenda
2009-01-01
Cavitation of xylem elements diminishes the water transport capacity of plants, and quantifying xylem vulnerability to cavitation is important to understanding plant function. Current approaches to analyzing hydraulic conductivity (K) data to infer vulnerability to cavitation suffer from problems such as the use of potentially unrealistic vulnerability curves, difficulty interpreting parameters in these curves, a statistical framework that ignores sampling design, and an overly simplistic view of uncertainty. This study illustrates how two common curves (exponential-sigmoid and Weibull) can be reparameterized in terms of meaningful parameters: maximum conductivity (k(sat)), water potential (-P) at which percentage loss of conductivity (PLC) =X% (P(X)), and the slope of the PLC curve at P(X) (S(X)), a 'sensitivity' index. We provide a hierarchical Bayesian method for fitting the reparameterized curves to K(H) data. We illustrate the method using data for roots and stems of two populations of Juniperus scopulorum and test for differences in k(sat), P(X), and S(X) between different groups. Two important results emerge from this study. First, the Weibull model is preferred because it produces biologically realistic estimates of PLC near P = 0 MPa. Second, stochastic embolisms contribute an important source of uncertainty that should be included in such analyses.
Anatomy and Physiology of Multiscale Modeling and Simulation in Systems Medicine.
Mizeranschi, Alexandru; Groen, Derek; Borgdorff, Joris; Hoekstra, Alfons G; Chopard, Bastien; Dubitzky, Werner
2016-01-01
Systems medicine is the application of systems biology concepts, methods, and tools to medical research and practice. It aims to integrate data and knowledge from different disciplines into biomedical models and simulations for the understanding, prevention, cure, and management of complex diseases. Complex diseases arise from the interactions among disease-influencing factors across multiple levels of biological organization from the environment to molecules. To tackle the enormous challenges posed by complex diseases, we need a modeling and simulation framework capable of capturing and integrating information originating from multiple spatiotemporal and organizational scales. Multiscale modeling and simulation in systems medicine is an emerging methodology and discipline that has already demonstrated its potential in becoming this framework. The aim of this chapter is to present some of the main concepts, requirements, and challenges of multiscale modeling and simulation in systems medicine.
Scale of association: hierarchical linear models and the measurement of ecological systems
Sean M. McMahon; Jeffrey M. Diez
2007-01-01
A fundamental challenge to understanding patterns in ecological systems lies in employing methods that can analyse, test and draw inference from measured associations between variables across scales. Hierarchical linear models (HLM) use advanced estimation algorithms to measure regression relationships and variance-covariance parameters in hierarchically structured...
A novel Bayesian hierarchical model for road safety hotspot prediction.
Fawcett, Lee; Thorpe, Neil; Matthews, Joseph; Kremer, Karsten
2017-02-01
In this paper, we propose a Bayesian hierarchical model for predicting accident counts in future years at sites within a pool of potential road safety hotspots. The aim is to inform road safety practitioners of the location of likely future hotspots to enable a proactive, rather than reactive, approach to road safety scheme implementation. A feature of our model is the ability to rank sites according to their potential to exceed, in some future time period, a threshold accident count which may be used as a criterion for scheme implementation. Our model specification enables the classical empirical Bayes formulation - commonly used in before-and-after studies, wherein accident counts from a single before period are used to estimate counterfactual counts in the after period - to be extended to incorporate counts from multiple time periods. This allows site-specific variations in historical accident counts (e.g. locally-observed trends) to offset estimates of safety generated by a global accident prediction model (APM), which itself is used to help account for the effects of global trend and regression-to-mean (RTM). The Bayesian posterior predictive distribution is exploited to formulate predictions and to properly quantify our uncertainty in these predictions. The main contributions of our model include (i) the ability to allow accident counts from multiple time-points to inform predictions, with counts in more recent years lending more weight to predictions than counts from time-points further in the past; (ii) where appropriate, the ability to offset global estimates of trend by variations in accident counts observed locally, at a site-specific level; and (iii) the ability to account for unknown/unobserved site-specific factors which may affect accident counts. We illustrate our model with an application to accident counts at 734 potential hotspots in the German city of Halle; we also propose some simple diagnostics to validate the predictive capability of our
Predictive multiscale computational model of shoe-floor coefficient of friction.
Moghaddam, Seyed Reza M; Acharya, Arjun; Redfern, Mark S; Beschorner, Kurt E
2018-01-03
Understanding the frictional interactions between the shoe and floor during walking is critical to prevention of slips and falls, particularly when contaminants are present. A multiscale finite element model of shoe-floor-contaminant friction was developed that takes into account the surface and material characteristics of the shoe and flooring in microscopic and macroscopic scales. The model calculates shoe-floor coefficient of friction (COF) in boundary lubrication regime where effects of adhesion friction and hydrodynamic pressures are negligible. The validity of model outputs was assessed by comparing model predictions to the experimental results from mechanical COF testing. The multiscale model estimates were linearly related to the experimental results (p < 0.0001). The model predicted 73% of variability in experimentally-measured shoe-floor-contaminant COF. The results demonstrate the potential of multiscale finite element modeling in aiding slip-resistant shoe and flooring design and reducing slip and fall injuries. Copyright © 2017 The Author(s). Published by Elsevier Ltd.. All rights reserved.
International Nuclear Information System (INIS)
Wirth, B; Asoka-Kumar, P; Denison, A; Glade, S; Howell, R; Marian, J; Odette, G; Sterne, P
2004-01-01
The objective of this work is to determine the chemical composition of nanometer precipitates responsible for irradiation hardening and embrittlement of reactor pressure vessel steels, which threaten to limit the operating lifetime of nuclear power plants worldwide. The scientific approach incorporates computational multiscale modeling of radiation damage and microstructural evolution in Fe-Cu-Ni-Mn alloys, and experimental characterization by positron annihilation spectroscopy and small angle neutron scattering. The modeling and experimental results are
The Models-3 Community Multi-scale Air Quality (CMAQ) model, first released by the USEPA in 1999 (Byun and Ching. 1999), continues to be developed and evaluated. The principal components of the CMAQ system include a comprehensive emission processor known as the Sparse Matrix O...
Metamodeling Techniques to Aid in the Aggregation Process of Large Hierarchical Simulation Models
National Research Council Canada - National Science Library
Rodriguez, June F
2008-01-01
.... More specifically, investigating how to accurately aggregate hierarchical lower-level (higher resolution) models into the next higher-level in order to reduce the complexity of the overall simulation model...
DEFF Research Database (Denmark)
Ding, Tao; Li, Cheng; Huang, Can
2018-01-01
–slave structure and improves traditional centralized modeling methods by alleviating the big data problem in a control center. Specifically, the transmission-distribution-network coordination issue of the hierarchical modeling method is investigated. First, a curve-fitting approach is developed to provide a cost......In order to solve the reactive power optimization with joint transmission and distribution networks, a hierarchical modeling method is proposed in this paper. It allows the reactive power optimization of transmission and distribution networks to be performed separately, leading to a master...... optimality. Numerical results on two test systems verify the effectiveness of the proposed hierarchical modeling and curve-fitting methods....
Clouds and fogs can significantly impact the concentration and distribution of atmospheric gases and aerosols through chemistry, scavenging, and transport. This presentation summarizes the representation of cloud processes in the Community Multiscale Air Quality (CMAQ) modeling ...
The adaptation of the Community Multiscale Air Quality (CMAQ) modeling system to simulate O3, particulate matter, and related precursor distributions over the northern hemisphere is presented. Hemispheric simulations with CMAQ and the Weather Research and Forecasting (...
Franco, Alejandro A; Bessler, Wolfgang G
2015-01-01
This book reviews the use of innovative physical multiscale modeling methods to deeply understand the electrochemical mechanisms and numerically simulate the structure and properties of electrochemical devices for energy storage and conversion.
Wang, Zhihui; Deisboeck, Thomas S.; Cristini, Vittorio
2014-01-01
There are two challenges that researchers face when performing global sensitivity analysis (GSA) on multiscale in silico cancer models. The first is increased computational intensity, since a multiscale cancer model generally takes longer to run than does a scale-specific model. The second problem is the lack of a best GSA method that fits all types of models, which implies that multiple methods and their sequence need to be taken into account. In this article, we therefore propose a sampling-based GSA workflow consisting of three phases – pre-analysis, analysis, and post-analysis – by integrating Monte Carlo and resampling methods with the repeated use of analysis of variance (ANOVA); we then exemplify this workflow using a two-dimensional multiscale lung cancer model. By accounting for all parameter rankings produced by multiple GSA methods, a summarized ranking is created at the end of the workflow based on the weighted mean of the rankings for each input parameter. For the cancer model investigated here, this analysis reveals that ERK, a downstream molecule of the EGFR signaling pathway, has the most important impact on regulating both the tumor volume and expansion rate in the algorithm used. PMID:25257020
International Nuclear Information System (INIS)
Andersson, Martin; Yuan, Jinliang; Sunden, Bengt
2010-01-01
A literature study is performed to compile the state-of-the-art, as well as future potential, in SOFC modeling. Principles behind various transport processes such as mass, heat, momentum and charge as well as for electrochemical and internal reforming reactions are described. A deeper investigation is made to find out potentials and challenges using a multiscale approach to model solid oxide fuel cells (SOFCs) and combine the accuracy at microscale with the calculation speed at macroscale to design SOFCs, based on a clear understanding of transport phenomena, chemical reactions and functional requirements. Suitable methods are studied to model SOFCs covering various length scales. Coupling methods between different approaches and length scales by multiscale models are outlined. Multiscale modeling increases the understanding for detailed transport phenomena, and can be used to make a correct decision on the specific design and control of operating conditions. It is expected that the development and production costs will be decreased and the energy efficiency be increased (reducing running cost) as the understanding of complex physical phenomena increases. It is concluded that the connection between numerical modeling and experiments is too rare and also that material parameters in most cases are valid only for standard materials and not for the actual SOFC component microstructures.
A Bayesian hierarchical model for demand curve analysis.
Ho, Yen-Yi; Nhu Vo, Tien; Chu, Haitao; Luo, Xianghua; Le, Chap T
2018-07-01
Drug self-administration experiments are a frequently used approach to assessing the abuse liability and reinforcing property of a compound. It has been used to assess the abuse liabilities of various substances such as psychomotor stimulants and hallucinogens, food, nicotine, and alcohol. The demand curve generated from a self-administration study describes how demand of a drug or non-drug reinforcer varies as a function of price. With the approval of the 2009 Family Smoking Prevention and Tobacco Control Act, demand curve analysis provides crucial evidence to inform the US Food and Drug Administration's policy on tobacco regulation, because it produces several important quantitative measurements to assess the reinforcing strength of nicotine. The conventional approach popularly used to analyze the demand curve data is individual-specific non-linear least square regression. The non-linear least square approach sets out to minimize the residual sum of squares for each subject in the dataset; however, this one-subject-at-a-time approach does not allow for the estimation of between- and within-subject variability in a unified model framework. In this paper, we review the existing approaches to analyze the demand curve data, non-linear least square regression, and the mixed effects regression and propose a new Bayesian hierarchical model. We conduct simulation analyses to compare the performance of these three approaches and illustrate the proposed approaches in a case study of nicotine self-administration in rats. We present simulation results and discuss the benefits of using the proposed approaches.
Multi-Scale Factor Analysis of High-Dimensional Brain Signals
Ting, Chee-Ming; Ombao, Hernando; Salleh, Sh-Hussain
2017-01-01
In this paper, we develop an approach to modeling high-dimensional networks with a large number of nodes arranged in a hierarchical and modular structure. We propose a novel multi-scale factor analysis (MSFA) model which partitions the massive
Lefkimmiatis, Stamatios; Maragos, Petros; Papandreou, George
2009-08-01
We present an improved statistical model for analyzing Poisson processes, with applications to photon-limited imaging. We build on previous work, adopting a multiscale representation of the Poisson process in which the ratios of the underlying Poisson intensities (rates) in adjacent scales are modeled as mixtures of conjugate parametric distributions. Our main contributions include: 1) a rigorous and robust regularized expectation-maximization (EM) algorithm for maximum-likelihood estimation of the rate-ratio density parameters directly from the noisy observed Poisson data (counts); 2) extension of the method to work under a multiscale hidden Markov tree model (HMT) which couples the mixture label assignments in consecutive scales, thus modeling interscale coefficient dependencies in the vicinity of image edges; 3) exploration of a 2-D recursive quad-tree image representation, involving Dirichlet-mixture rate-ratio densities, instead of the conventional separable binary-tree image representation involving beta-mixture rate-ratio densities; and 4) a novel multiscale image representation, which we term Poisson-Haar decomposition, that better models the image edge structure, thus yielding improved performance. Experimental results on standard images with artificially simulated Poisson noise and on real photon-limited images demonstrate the effectiveness of the proposed techniques.
Toward multiscale modelings of grain-fluid systems
Chareyre, Bruno; Yuan, Chao; Montella, Eduard P.; Salager, Simon
2017-06-01
Computationally efficient methods have been developed for simulating partially saturated granular materials in the pendular regime. In contrast, one hardly avoid expensive direct resolutions of 2-phase fluid dynamics problem for mixed pendular-funicular situations or even saturated regimes. Following previous developments for single-phase flow, a pore-network approach of the coupling problems is described. The geometry and movements of phases and interfaces are described on the basis of a tetrahedrization of the pore space, introducing elementary objects such as bridge, meniscus, pore body and pore throat, together with local rules of evolution. As firmly established local rules are still missing on some aspects (entry capillary pressure and pore-scale pressure-saturation relations, forces on the grains, or kinetics of transfers in mixed situations) a multi-scale numerical framework is introduced, enhancing the pore-network approach with the help of direct simulations. Small subsets of a granular system are extracted, in which multiphase scenario are solved using the Lattice-Boltzman method (LBM). In turns, a global problem is assembled and solved at the network scale, as illustrated by a simulated primary drainage.
Multi-scale modelling of uranyl chloride solutions
Energy Technology Data Exchange (ETDEWEB)
Nguyen, Thanh-Nghi; Duvail, Magali, E-mail: magali.duvail@icsm.fr; Villard, Arnaud; Dufrêche, Jean-François, E-mail: jean-francois.dufreche@univ-montp2.fr [Institut de Chimie Séparative de Marcoule (ICSM), UMR 5257, CEA-CNRS-Université Montpellier 2-ENSCM, Site de Marcoule, Bâtiment 426, BP 17171, F-30207 Bagnols-sur-Cèze Cedex (France); Molina, John Jairo [Fukui Institute for Fundamental Chemistry, Kyoto University, Takano-Nishihiraki-cho 34-4, Sakyo-ku, Kyoto 606-8103 (Japan); Guilbaud, Philippe [CEA/DEN/DRCP/SMCS/LILA, Marcoule, F-30207 Bagnols-sur-Cèze Cedex (France)
2015-01-14
Classical molecular dynamics simulations with explicit polarization have been successfully used to determine the structural and thermodynamic properties of binary aqueous solutions of uranyl chloride (UO{sub 2}Cl{sub 2}). Concentrated aqueous solutions of uranyl chloride have been studied to determine the hydration properties and the ion-ion interactions. The bond distances and the coordination number of the hydrated uranyl are in good agreement with available experimental data. Two stable positions of chloride in the second hydration shell of uranyl have been identified. The UO{sub 2}{sup 2+}-Cl{sup −} association constants have also been calculated using a multi-scale approach. First, the ion-ion potential averaged over the solvent configurations at infinite dilution (McMillan-Mayer potential) was calculated to establish the dissociation/association processes of UO{sub 2}{sup 2+}-Cl{sup −} ion pairs in aqueous solution. Then, the association constant was calculated from this potential. The value we obtained for the association constant is in good agreement with the experimental result (K{sub UO{sub 2Cl{sup +}}} = 1.48 l mol{sup −1}), but the resulting activity coefficient appears to be too low at molar concentration.
Statistical modelling of railway track geometry degradation using Hierarchical Bayesian models
International Nuclear Information System (INIS)
Andrade, A.R.; Teixeira, P.F.
2015-01-01
Railway maintenance planners require a predictive model that can assess the railway track geometry degradation. The present paper uses a Hierarchical Bayesian model as a tool to model the main two quality indicators related to railway track geometry degradation: the standard deviation of longitudinal level defects and the standard deviation of horizontal alignment defects. Hierarchical Bayesian Models (HBM) are flexible statistical models that allow specifying different spatially correlated components between consecutive track sections, namely for the deterioration rates and the initial qualities parameters. HBM are developed for both quality indicators, conducting an extensive comparison between candidate models and a sensitivity analysis on prior distributions. HBM is applied to provide an overall assessment of the degradation of railway track geometry, for the main Portuguese railway line Lisbon–Oporto. - Highlights: • Rail track geometry degradation is analysed using Hierarchical Bayesian models. • A Gibbs sampling strategy is put forward to estimate the HBM. • Model comparison and sensitivity analysis find the most suitable model. • We applied the most suitable model to all the segments of the main Portuguese line. • Tackling spatial correlations using CAR structures lead to a better model fit
Energy Technology Data Exchange (ETDEWEB)
Horstemeyer, Mark R. [Mississippi State Univ., Mississippi State, MS (United States); Chaudhuri, Santanu [Univ. of Illinois, Urbana-Champaign, IL (United States)
2015-09-30
A multiscale modeling Internal State Variable (ISV) constitutive model was developed that captures the fundamental structure-property relationships. The macroscale ISV model used lower length scale simulations (Butler-Volmer and Electronics Structures results) in order to inform the ISVs at the macroscale. The chemomechanical ISV model was calibrated and validated from experiments with magnesium (Mg) alloys that were investigated under corrosive environments coupled with experimental electrochemical studies. Because the ISV chemomechanical model is physically based, it can be used for other material systems to predict corrosion behavior. As such, others can use the chemomechanical model for analyzing corrosion effects on their designs.
Computational design and multiscale modeling of a nanoactuator using DNA actuation
International Nuclear Information System (INIS)
Hamdi, Mustapha
2009-01-01
Developments in the field of nano-biodevices coupling nanostructures and biological components are of great interest in medical nanorobotics. As the fundamentals of bio/non-bio interaction processes are still poorly understood in the design of these devices, design tools and multiscale dynamics modeling approaches are necessary at the fabrication pre-project stage. This paper proposes a new concept of optimized carbon nanotube based servomotor design for drug delivery and biomolecular transport applications. The design of an encapsulated DNA-multi-walled carbon nanotube actuator is prototyped using multiscale modeling. The system is parametrized by using a quantum level approach and characterized by using a molecular dynamics simulation. Based on the analysis of the simulation results, a servo nanoactuator using ionic current feedback is simulated and analyzed for application as a drug delivery carrier.
A review of predictive nonlinear theories for multiscale modeling of heterogeneous materials
Energy Technology Data Exchange (ETDEWEB)
Matouš, Karel, E-mail: kmatous@nd.edu [Department of Aerospace and Mechanical Engineering, University of Notre Dame, Notre Dame, IN 46556 (United States); Geers, Marc G.D.; Kouznetsova, Varvara G. [Department of Mechanical Engineering, Eindhoven University of Technology, Eindhoven (Netherlands); Gillman, Andrew [Department of Aerospace and Mechanical Engineering, University of Notre Dame, Notre Dame, IN 46556 (United States)
2017-02-01
Since the beginning of the industrial age, material performance and design have been in the midst of innovation of many disruptive technologies. Today's electronics, space, medical, transportation, and other industries are enriched by development, design and deployment of composite, heterogeneous and multifunctional materials. As a result, materials innovation is now considerably outpaced by other aspects from component design to product cycle. In this article, we review predictive nonlinear theories for multiscale modeling of heterogeneous materials. Deeper attention is given to multiscale modeling in space and to computational homogenization in addressing challenging materials science questions. Moreover, we discuss a state-of-the-art platform in predictive image-based, multiscale modeling with co-designed simulations and experiments that executes on the world's largest supercomputers. Such a modeling framework consists of experimental tools, computational methods, and digital data strategies. Once fully completed, this collaborative and interdisciplinary framework can be the basis of Virtual Materials Testing standards and aids in the development of new material formulations. Moreover, it will decrease the time to market of innovative products.
A review of predictive nonlinear theories for multiscale modeling of heterogeneous materials
International Nuclear Information System (INIS)
Matouš, Karel; Geers, Marc G.D.; Kouznetsova, Varvara G.; Gillman, Andrew
2017-01-01
Since the beginning of the industrial age, material performance and design have been in the midst of innovation of many disruptive technologies. Today's electronics, space, medical, transportation, and other industries are enriched by development, design and deployment of composite, heterogeneous and multifunctional materials. As a result, materials innovation is now considerably outpaced by other aspects from component design to product cycle. In this article, we review predictive nonlinear theories for multiscale modeling of heterogeneous materials. Deeper attention is given to multiscale modeling in space and to computational homogenization in addressing challenging materials science questions. Moreover, we discuss a state-of-the-art platform in predictive image-based, multiscale modeling with co-designed simulations and experiments that executes on the world's largest supercomputers. Such a modeling framework consists of experimental tools, computational methods, and digital data strategies. Once fully completed, this collaborative and interdisciplinary framework can be the basis of Virtual Materials Testing standards and aids in the development of new material formulations. Moreover, it will decrease the time to market of innovative products.
A review of predictive nonlinear theories for multiscale modeling of heterogeneous materials
Matouš, Karel; Geers, Marc G. D.; Kouznetsova, Varvara G.; Gillman, Andrew
2017-02-01
Since the beginning of the industrial age, material performance and design have been in the midst of innovation of many disruptive technologies. Today's electronics, space, medical, transportation, and other industries are enriched by development, design and deployment of composite, heterogeneous and multifunctional materials. As a result, materials innovation is now considerably outpaced by other aspects from component design to product cycle. In this article, we review predictive nonlinear theories for multiscale modeling of heterogeneous materials. Deeper attention is given to multiscale modeling in space and to computational homogenization in addressing challenging materials science questions. Moreover, we discuss a state-of-the-art platform in predictive image-based, multiscale modeling with co-designed simulations and experiments that executes on the world's largest supercomputers. Such a modeling framework consists of experimental tools, computational methods, and digital data strategies. Once fully completed, this collaborative and interdisciplinary framework can be the basis of Virtual Materials Testing standards and aids in the development of new material formulations. Moreover, it will decrease the time to market of innovative products.
DEFF Research Database (Denmark)
Vermesi, Izabella; Rein, Guillermo; Colella, Francesco
2017-01-01
Multiscale modelling of tunnel fires that uses a coupled 3D (fire area) and 1D (the rest of the tunnel) model is seen as the solution to the numerical problem of the large domains associated with long tunnels. The present study demonstrates the feasibility of the implementation of this method...... in FDS version 6.0, a widely used fire-specific, open source CFD software. Furthermore, it compares the reduction in simulation time given by multiscale modelling with the one given by the use of multiple processor calculation. This was done using a 1200m long tunnel with a rectangular cross......-section as a demonstration case. The multiscale implementation consisted of placing a 30MW fire in the centre of a 400m long 3D domain, along with two 400m long 1D ducts on each side of it, that were again bounded by two nodes each. A fixed volume flow was defined in the upstream duct and the two models were coupled...
A high-order multiscale finite-element method for time-domain acoustic-wave modeling
Gao, Kai; Fu, Shubin; Chung, Eric T.
2018-05-01
Accurate and efficient wave equation modeling is vital for many applications in such as acoustics, electromagnetics, and seismology. However, solving the wave equation in large-scale and highly heterogeneous models is usually computationally expensive because the computational cost is directly proportional to the number of grids in the model. We develop a novel high-order multiscale finite-element method to reduce the computational cost of time-domain acoustic-wave equation numerical modeling by solving the wave equation on a coarse mesh based on the multiscale finite-element theory. In contrast to existing multiscale finite-element methods that use only first-order multiscale basis functions, our new method constructs high-order multiscale basis functions from local elliptic problems which are closely related to the Gauss-Lobatto-Legendre quadrature points in a coarse element. Essentially, these basis functions are not only determined by the order of Legendre polynomials, but also by local medium properties, and therefore can effectively convey the fine-scale information to the coarse-scale solution with high-order accuracy. Numerical tests show that our method can significantly reduce the computation time while maintain high accuracy for wave equation modeling in highly heterogeneous media by solving the corresponding discrete system only on the coarse mesh with the new high-order multiscale basis functions.
Evaluating and Improving Cloud Processes in the Multi-Scale Modeling Framework
Energy Technology Data Exchange (ETDEWEB)
Ackerman, Thomas P. [Univ. of Washington, Seattle, WA (United States)
2015-03-01
The research performed under this grant was intended to improve the embedded cloud model in the Multi-scale Modeling Framework (MMF) for convective clouds by using a 2-moment microphysics scheme rather than the single moment scheme used in all the MMF runs to date. The technical report and associated documents describe the results of testing the cloud resolving model with fixed boundary conditions and evaluation of model results with data. The overarching conclusion is that such model evaluations are problematic because errors in the forcing fields control the results so strongly that variations in parameterization values cannot be usefully constrained
Bayesian Uncertainty Quantification for Subsurface Inversion Using a Multiscale Hierarchical Model
Mondal, Anirban; Mallick, Bani; Efendiev, Yalchin; Datta-Gupta, Akhil
2014-01-01
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
El-Amin, Mohamed F.; Kou, Jisheng; Sun, Shuyu
2017-01-01
Recently, applications of nanoparticles have been considered in many branches of petroleum engineering, especially, enhanced oil recovery. The current paper is devoted to investigate the problem of nanoparticles transport in fractured porous media, numerically. We employed the discrete-fracture model (DFM) to represent the flow and transport in the fractured formations. The system of the governing equations consists of the mass conservation law, Darcy's law, nanoparticles concentration in water, deposited nanoparticles concentration on the pore-wall, and entrapped nanoparticles concentration in the pore-throat. The variation of porosity and permeability due to the nanoparticles deposition/entrapment on/in the pores is also considered. We employ the multiscale time-splitting strategy to control different time-step sizes for different physics, such as pressure and concentration. The cell-centered finite difference (CCFD) method is used for the spatial discretization. Numerical examples are provided to demonstrate the efficiency of the proposed multiscale time splitting approach.
Arnold, Steven M.; Murthy, Pappu L.; Bednarcyk, Brett A.; Lawson, John W.; Monk, Joshua D.; Bauschlicher, Charles W., Jr.
2016-01-01
Next generation ablative thermal protection systems are expected to consist of 3D woven composite architectures. It is well known that composites can be tailored to achieve desired mechanical and thermal properties in various directions and thus can be made fit-for-purpose if the proper combination of constituent materials and microstructures can be realized. In the present work, the first, multiscale, atomistically-informed, computational analysis of mechanical and thermal properties of a present day - Carbon/Phenolic composite Thermal Protection System (TPS) material is conducted. Model results are compared to measured in-plane and out-of-plane mechanical and thermal properties to validate the computational approach. Results indicate that given sufficient microstructural fidelity, along with lowerscale, constituent properties derived from molecular dynamics simulations, accurate composite level (effective) thermo-elastic properties can be obtained. This suggests that next generation TPS properties can be accurately estimated via atomistically informed multiscale analysis.
El-Amin, Mohamed F.
2017-06-06
Recently, applications of nanoparticles have been considered in many branches of petroleum engineering, especially, enhanced oil recovery. The current paper is devoted to investigate the problem of nanoparticles transport in fractured porous media, numerically. We employed the discrete-fracture model (DFM) to represent the flow and transport in the fractured formations. The system of the governing equations consists of the mass conservation law, Darcy\\'s law, nanoparticles concentration in water, deposited nanoparticles concentration on the pore-wall, and entrapped nanoparticles concentration in the pore-throat. The variation of porosity and permeability due to the nanoparticles deposition/entrapment on/in the pores is also considered. We employ the multiscale time-splitting strategy to control different time-step sizes for different physics, such as pressure and concentration. The cell-centered finite difference (CCFD) method is used for the spatial discretization. Numerical examples are provided to demonstrate the efficiency of the proposed multiscale time splitting approach.
Multiscale modeling of θ' precipitation in Al-Cu binary alloys
International Nuclear Information System (INIS)
Vaithyanathan, V.; Wolverton, C.; Chen, L.Q.
2004-01-01
We present a multiscale model for studying the growth and coarsening of θ' precipitates in Al-Cu alloys. Our approach utilizes a novel combination of the mesoscale phase-field method with atomistic approaches such as first-principles total energy and linear response calculations, as well as a mixed-space cluster expansion coupled with Monte Carlo simulations. We give quantitative first-principles predictions of: (i) bulk energetics of the Al-Cu solid solution and θ ' precipitate phases, (ii) interfacial energies of the coherent and semi-coherent θ ' /Al interfaces, and (iii) stress-free misfit strains and coherency strain energies of the θ ' /Al system. These first-principles data comprise all the necessary energetic information to construct our phase-field model of microstructural evolution. Using our multiscale approach, we elucidate the effects of various energetic contributions on the equilibrium shape of θ ' precipitates, finding that both the elastic energy and interfacial energy anisotropy contributions play critical roles in determining the aspect ratio of θ ' precipitates. Additionally, we have performed a quantitative study of the morphology of two-dimensional multi-precipitate microstructures during growth and coarsening, and compared the calculated results with experimentally observed morphologies. Our multiscale first-principles/phase-field method is completely general and should therefore be applicable to a wide variety of problems in microstructural evolution
Leempoel, Kevin; Parisod, Christian; Geiser, Céline; Joost, Stéphane
2018-02-01
Plant species are known to adapt locally to their environment, particularly in mountainous areas where conditions can vary drastically over short distances. The climate of such landscapes being largely influenced by topography, using fine-scale models to evaluate environmental heterogeneity may help detecting adaptation to micro-habitats. Here, we applied a multiscale landscape genomic approach to detect evidence of local adaptation in the alpine plant Biscutella laevigata . The two gene pools identified, experiencing limited gene flow along a 1-km ridge, were different in regard to several habitat features derived from a very high resolution (VHR) digital elevation model (DEM). A correlative approach detected signatures of selection along environmental gradients such as altitude, wind exposure, and solar radiation, indicating adaptive pressures likely driven by fine-scale topography. Using a large panel of DEM-derived variables as ecologically relevant proxies, our results highlighted the critical role of spatial resolution. These high-resolution multiscale variables indeed indicate that the robustness of associations between genetic loci and environmental features depends on spatial parameters that are poorly documented. We argue that the scale issue is critical in landscape genomics and that multiscale ecological variables are key to improve our understanding of local adaptation in highly heterogeneous landscapes.
Training Systems Modelers through the Development of a Multi-scale Chagas Disease Risk Model
Hanley, J.; Stevens-Goodnight, S.; Kulkarni, S.; Bustamante, D.; Fytilis, N.; Goff, P.; Monroy, C.; Morrissey, L. A.; Orantes, L.; Stevens, L.; Dorn, P.; Lucero, D.; Rios, J.; Rizzo, D. M.
2012-12-01
The goal of our NSF-sponsored Division of Behavioral and Cognitive Sciences grant is to create a multidisciplinary approach to develop spatially explicit models of vector-borne disease risk using Chagas disease as our model. Chagas disease is a parasitic disease endemic to Latin America that afflicts an estimated 10 million people. The causative agent (Trypanosoma cruzi) is most commonly transmitted to humans by blood feeding triatomine insect vectors. Our objectives are: (1) advance knowledge on the multiple interacting factors affecting the transmission of Chagas disease, and (2) provide next generation genomic and spatial analysis tools applicable to the study of other vector-borne diseases worldwide. This funding is a collaborative effort between the RSENR (UVM), the School of Engineering (UVM), the Department of Biology (UVM), the Department of Biological Sciences (Loyola (New Orleans)) and the Laboratory of Applied Entomology and Parasitology (Universidad de San Carlos). Throughout this five-year study, multi-educational groups (i.e., high school, undergraduate, graduate, and postdoctoral) will be trained in systems modeling. This systems approach challenges students to incorporate environmental, social, and economic as well as technical aspects and enables modelers to simulate and visualize topics that would either be too expensive, complex or difficult to study directly (Yasar and Landau 2003). We launch this research by developing a set of multi-scale, epidemiological models of Chagas disease risk using STELLA® software v.9.1.3 (isee systems, inc., Lebanon, NH). We use this particular system dynamics software as a starting point because of its simple graphical user interface (e.g., behavior-over-time graphs, stock/flow diagrams, and causal loops). To date, high school and undergraduate students have created a set of multi-scale (i.e., homestead, village, and regional) disease models. Modeling the system at multiple spatial scales forces recognition that
High resolution multi-scale air quality modelling for all streets in Denmark
DEFF Research Database (Denmark)
Jensen, Steen Solvang; Ketzel, Matthias; Becker, Thomas
2017-01-01
The annual concentrations of NO2, PM2.5 and PM10 in 2012 have for the first time been modelled for all 2.4 million addresses in Denmark based on a multi-scale air quality modelling approach. All addresses include residential, industrial, institutional, shop, school, restaurant addresses etc...... concentrations of NO2 for the five available street monitoring stations are within −27% to +12%. The model results were also verified with comparisons with previous model results for NO2 at 98 selected streets in Copenhagen and 31 streets in Aalborg. The verification showed good correlation in Copenhagen (r2 = 0...
A Multiscale Closed-Loop Cardiovascular Model, with Applications to Heart Pacing and Hemorrhage
Canuto, Daniel; Eldredge, Jeff; Chong, Kwitae; Benharash, Peyman; Dutson, Erik
2017-11-01
A computational tool is developed for simulating the dynamic response of the human cardiovascular system to various stressors and injuries. The tool couples zero-dimensional models of the heart, pulmonary vasculature, and peripheral vasculature to one-dimensional models of the major systemic arteries. To simulate autonomic response, this multiscale circulatory model is integrated with a feedback model of the baroreflex, allowing control of heart rate, cardiac contractility, and peripheral impedance. The performance of the tool is demonstrated in two scenarios: increasing heart rate by stimulating the sympathetic nervous system, and an acute 10 percent hemorrhage from the left femoral artery.
Energy Technology Data Exchange (ETDEWEB)
Sumida, S [U-shin Ltd., Tokyo (Japan); Nagamatsu, M; Maruyama, K [Hokkaido Institute of Technology, Sapporo (Japan); Hiramatsu, S [Mazda Motor Corp., Hiroshima (Japan)
1997-10-01
A new approach on modeling is put forward in order to compose the virtual prototype which is indispensable for fully computer integrated concurrent development of automobile product. A basic concept of the hierarchical functional model is proposed as the concrete form of this new modeling technology. This model is used mainly for explaining and simulating functions and efficiencies of both the parts and the total product of automobile. All engineers who engage themselves in design and development of automobile can collaborate with one another using this model. Some application examples are shown, and usefulness of this model is demonstrated. 5 refs., 5 figs.
Multi-scale modeling in morphogenesis: a critical analysis of the cellular Potts model.
Directory of Open Access Journals (Sweden)
Anja Voss-Böhme
Full Text Available Cellular Potts models (CPMs are used as a modeling framework to elucidate mechanisms of biological development. They allow a spatial resolution below the cellular scale and are applied particularly when problems are studied where multiple spatial and temporal scales are involved. Despite the increasing usage of CPMs in theoretical biology, this model class has received little attention from mathematical theory. To narrow this gap, the CPMs are subjected to a theoretical study here. It is asked to which extent the updating rules establish an appropriate dynamical model of intercellular interactions and what the principal behavior at different time scales characterizes. It is shown that the longtime behavior of a CPM is degenerate in the sense that the cells consecutively die out, independent of the specific interdependence structure that characterizes the model. While CPMs are naturally defined on finite, spatially bounded lattices, possible extensions to spatially unbounded systems are explored to assess to which extent spatio-temporal limit procedures can be applied to describe the emergent behavior at the tissue scale. To elucidate the mechanistic structure of CPMs, the model class is integrated into a general multiscale framework. It is shown that the central role of the surface fluctuations, which subsume several cellular and intercellular factors, entails substantial limitations for a CPM's exploitation both as a mechanistic and as a phenomenological model.
Bai, Hao; Zhang, Xi-wen
2017-06-01
While Chinese is learned as a second language, its characters are taught step by step from their strokes to components, radicals to components, and their complex relations. Chinese Characters in digital ink from non-native language writers are deformed seriously, thus the global recognition approaches are poorer. So a progressive approach from bottom to top is presented based on hierarchical models. Hierarchical information includes strokes and hierarchical components. Each Chinese character is modeled as a hierarchical tree. Strokes in one Chinese characters in digital ink are classified with Hidden Markov Models and concatenated to the stroke symbol sequence. And then the structure of components in one ink character is extracted. According to the extraction result and the stroke symbol sequence, candidate characters are traversed and scored. Finally, the recognition candidate results are listed by descending. The method of this paper is validated by testing 19815 copies of the handwriting Chinese characters written by foreign students.
New aerial survey and hierarchical model to estimate manatee abundance
Langimm, Cahterine A.; Dorazio, Robert M.; Stith, Bradley M.; Doyle, Terry J.
2011-01-01
Monitoring the response of endangered and protected species to hydrological restoration is a major component of the adaptive management framework of the Comprehensive Everglades Restoration Plan. The endangered Florida manatee (Trichechus manatus latirostris) lives at the marine-freshwater interface in southwest Florida and is likely to be affected by hydrologic restoration. To provide managers with prerestoration information on distribution and abundance for postrestoration comparison, we developed and implemented a new aerial survey design and hierarchical statistical model to estimate and map abundance of manatees as a function of patch-specific habitat characteristics, indicative of manatee requirements for offshore forage (seagrass), inland fresh drinking water, and warm-water winter refuge. We estimated the number of groups of manatees from dual-observer counts and estimated the number of individuals within groups by removal sampling. Our model is unique in that we jointly analyzed group and individual counts using assumptions that allow probabilities of group detection to depend on group size. Ours is the first analysis of manatee aerial surveys to model spatial and temporal abundance of manatees in association with habitat type while accounting for imperfect detection. We conducted the study in the Ten Thousand Islands area of southwestern Florida, USA, which was expected to be affected by the Picayune Strand Restoration Project to restore hydrology altered for a failed real-estate development. We conducted 11 surveys in 2006, spanning the cold, dry season and warm, wet season. To examine short-term and seasonal changes in distribution we flew paired surveys 1–2 days apart within a given month during the year. Manatees were sparsely distributed across the landscape in small groups. Probability of detection of a group increased with group size; the magnitude of the relationship between group size and detection probability varied among surveys. Probability
The Multi-Scale Model Approach to Thermohydrology at Yucca Mountain
International Nuclear Information System (INIS)
Glascoe, L; Buscheck, T A; Gansemer, J; Sun, Y
2002-01-01
The Multi-Scale Thermo-Hydrologic (MSTH) process model is a modeling abstraction of them1 hydrology (TH) of the potential Yucca Mountain repository at multiple spatial scales. The MSTH model as described herein was used for the Supplemental Science and Performance Analyses (BSC, 2001) and is documented in detail in CRWMS M and O (2000) and Glascoe et al. (2002). The model has been validated to a nested grid model in Buscheck et al. (In Review). The MSTH approach is necessary for modeling thermal hydrology at Yucca Mountain for two reasons: (1) varying levels of detail are necessary at different spatial scales to capture important TH processes and (2) a fully-coupled TH model of the repository which includes the necessary spatial detail is computationally prohibitive. The MSTH model consists of six ''submodels'' which are combined in a manner to reduce the complexity of modeling where appropriate. The coupling of these models allows for appropriate consideration of mountain-scale thermal hydrology along with the thermal hydrology of drift-scale discrete waste packages of varying heat load. Two stages are involved in the MSTH approach, first, the execution of submodels, and second, the assembly of submodels using the Multi-scale Thermohydrology Abstraction Code (MSTHAC). MSTHAC assembles the submodels in a five-step process culminating in the TH model output of discrete waste packages including a mountain-scale influence
A mechanical model of biomimetic adhesive pads with tilted and hierarchical structures.
Schargott, M
2009-06-01
A 3D model for hierarchical biomimetic adhesive pads is constructed. It is based on the main principles of the adhesive pads of the Tokay gecko and consists of hierarchical layers of vertical or tilted beams, where each layer is constructed in such a way that no cohesion between adjacent beams can occur. The elastic and adhesive properties are calculated analytically and numerically. For the adhesive contact on stochastically rough surfaces, the maximum adhesion force increases with increasing number of hierarchical layers. Additional calculations show that the adhesion force also depends on the height spectrum of the rough surface.
A mechanical model of biomimetic adhesive pads with tilted and hierarchical structures
Energy Technology Data Exchange (ETDEWEB)
Schargott, M [Institute of Mechanics, Technische Universitaet Berlin, Strd 17 Juni 135, 10623 Berlin (Germany)], E-mail: martin.schargott@tu-berlin.de
2009-06-01
A 3D model for hierarchical biomimetic adhesive pads is constructed. It is based on the main principles of the adhesive pads of the Tokay gecko and consists of hierarchical layers of vertical or tilted beams, where each layer is constructed in such a way that no cohesion between adjacent beams can occur. The elastic and adhesive properties are calculated analytically and numerically. For the adhesive contact on stochastically rough surfaces, the maximum adhesion force increases with increasing number of hierarchical layers. Additional calculations show that the adhesion force also depends on the height spectrum of the rough surface.
A mechanical model of biomimetic adhesive pads with tilted and hierarchical structures
International Nuclear Information System (INIS)
Schargott, M
2009-01-01
A 3D model for hierarchical biomimetic adhesive pads is constructed. It is based on the main principles of the adhesive pads of the Tokay gecko and consists of hierarchical layers of vertical or tilted beams, where each layer is constructed in such a way that no cohesion between adjacent beams can occur. The elastic and adhesive properties are calculated analytically and numerically. For the adhesive contact on stochastically rough surfaces, the maximum adhesion force increases with increasing number of hierarchical layers. Additional calculations show that the adhesion force also depends on the height spectrum of the rough surface
Oxley, Tim; Dore, Anthony J; ApSimon, Helen; Hall, Jane; Kryza, Maciej
2013-11-01
Integrated assessment modelling has evolved to support policy development in relation to air pollutants and greenhouse gases by providing integrated simulation tools able to produce quick and realistic representations of emission scenarios and their environmental impacts without the need to re-run complex atmospheric dispersion models. The UK Integrated Assessment Model (UKIAM) has been developed to investigate strategies for reducing UK emissions by bringing together information on projected UK emissions of SO2, NOx, NH3, PM10 and PM2.5, atmospheric dispersion, criteria for protection of ecosystems, urban air quality and human health, and data on potential abatement measures to reduce emissions, which may subsequently be linked to associated analyses of costs and benefits. We describe the multi-scale model structure ranging from continental to roadside, UK emission sources, atmospheric dispersion of emissions, implementation of abatement measures, integration with European-scale modelling, and environmental impacts. The model generates outputs from a national perspective which are used to evaluate alternative strategies in relation to emissions, deposition patterns, air quality metrics and ecosystem critical load exceedance. We present a selection of scenarios in relation to the 2020 Business-As-Usual projections and identify potential further reductions beyond those currently being planned. © 2013.
Multi-Scale Modeling of an Integrated 3D Braided Composite with Applications to Helicopter Arm
Zhang, Diantang; Chen, Li; Sun, Ying; Zhang, Yifan; Qian, Kun
2017-10-01
A study is conducted with the aim of developing multi-scale analytical method for designing the composite helicopter arm with three-dimensional (3D) five-directional braided structure. Based on the analysis of 3D braided microstructure, the multi-scale finite element modeling is developed. Finite element analysis on the load capacity of 3D five-directional braided composites helicopter arm is carried out using the software ABAQUS/Standard. The influences of the braiding angle and loading condition on the stress and strain distribution of the helicopter arm are simulated. The results show that the proposed multi-scale method is capable of accurately predicting the mechanical properties of 3D braided composites, validated by the comparison the stress-strain curves of meso-scale RVCs. Furthermore, it is found that the braiding angle is an important factor affecting the mechanical properties of 3D five-directional braided composite helicopter arm. Based on the optimized structure parameters, the nearly net-shaped composite helicopter arm is fabricated using a novel resin transfer mould (RTM) process.
Directory of Open Access Journals (Sweden)
Kamal Sharma
2014-01-01
Full Text Available The present paper discusses the key issues of carbon nanotube (CNT dispersion and effect of functionalisation on the mechanical properties of multiscale carbon epoxy composites. In this study, CNTs were added in epoxy matrix and further reinforced with carbon fibres. Predetermined amounts of optimally amine functionalised CNTs were dispersed in epoxy matrix, and unidirectional carbon fiber laminates were produced. The effect of the presence of CNTs (1.0 wt% in the resin was reflected by pronounced increase in Young’s modulus, inter-laminar shear strength, and flexural modulus by 51.46%, 39.62%, and 38.04%, respectively. However, 1.5 wt% CNT loading in epoxy resin decreased the overall properties of the three-phase composites. A combination of Halpin-Tsai equations and micromechanics modeling approach was also used to evaluate the mechanical properties of multiscale composites and the differences between the predicted and experimental values are reported. These multiscale composites are likely to be used for potential missile and aerospace structural applications.
Bridging scales through multiscale modeling: A case study on Protein Kinase A
Directory of Open Access Journals (Sweden)
Sophia P Hirakis
2015-09-01
Full Text Available The goal of multiscale modeling in biology is to use structurally based physico-chemical models to integrate across temporal and spatial scales of biology and thereby improve mechanistic understanding of, for example, how a single mutation can alter organism-scale phenotypes. This approach may also inform therapeutic strategies or identify candidate drug targets that might otherwise have been overlooked. However, in many cases, it remains unclear how best to synthesize information obtained from various scales and analysis approaches, such as atomistic molecular models, Markov state models (MSM, subcellular network models, and whole cell models. In this paper, we use protein kinase A (PKA activation as a case study to explore how computational methods that model different physical scales can complement each other and integrate into an improved multiscale representation of the biological mechanisms. Using measured crystal structures, we show how molecular dynamics (MD simulations coupled with atomic-scale MSMs can provide conformations for Brownian dynamics (BD simulations to feed transitional states and kinetic parameters into protein-scale MSMs. We discuss how milestoning can give reaction probabilities and forward-rate constants of cAMP association events by seamlessly integrating MD and BD simulation scales. These rate constants coupled with MSMs provide a robust representation of the free energy landscape, enabling access to kinetic and thermodynamic parameters unavailable from current experimental data. These approaches have helped to illuminate the cooperative nature of PKA activation in response to distinct cAMP binding events. Collectively, this approach exemplifies a general strategy for multiscale model development that is applicable to a wide range of biological problems.
Usability Prediction & Ranking of SDLC Models Using Fuzzy Hierarchical Usability Model
Gupta, Deepak; Ahlawat, Anil K.; Sagar, Kalpna
2017-06-01
Evaluation of software quality is an important aspect for controlling and managing the software. By such evaluation, improvements in software process can be made. The software quality is significantly dependent on software usability. Many researchers have proposed numbers of usability models. Each model considers a set of usability factors but do not cover all the usability aspects. Practical implementation of these models is still missing, as there is a lack of precise definition of usability. Also, it is very difficult to integrate these models into current software engineering practices. In order to overcome these challenges, this paper aims to define the term `usability' using the proposed hierarchical usability model with its detailed taxonomy. The taxonomy considers generic evaluation criteria for identifying the quality components, which brings together factors, attributes and characteristics defined in various HCI and software models. For the first time, the usability model is also implemented to predict more accurate usability values. The proposed system is named as fuzzy hierarchical usability model that can be easily integrated into the current software engineering practices. In order to validate the work, a dataset of six software development life cycle models is created and employed. These models are ranked according to their predicted usability values. This research also focuses on the detailed comparison of proposed model with the existing usability models.
Bottom-up learning of hierarchical models in a class of deterministic POMDP environments
Directory of Open Access Journals (Sweden)
Itoh Hideaki
2015-09-01
Full Text Available The theory of partially observable Markov decision processes (POMDPs is a useful tool for developing various intelligent agents, and learning hierarchical POMDP models is one of the key approaches for building such agents when the environments of the agents are unknown and large. To learn hierarchical models, bottom-up learning methods in which learning takes place in a layer-by-layer manner from the lowest to the highest layer are already extensively used in some research fields such as hidden Markov models and neural networks. However, little attention has been paid to bottom-up approaches for learning POMDP models. In this paper, we present a novel bottom-up learning algorithm for hierarchical POMDP models and prove that, by using this algorithm, a perfect model (i.e., a model that can perfectly predict future observations can be learned at least in a class of deterministic POMDP environments
A multi-scale model for correlation in B cell VDJ usage of zebrafish
International Nuclear Information System (INIS)
Pan, Keyao; Deem, Michael W
2011-01-01
The zebrafish (Danio rerio) is one of the model animals used for the study of immunology because the dynamics in the adaptive immune system of zebrafish are similar to that in higher animals. In this work, we built a multi-scale model to simulate the dynamics of B cells in the primary and secondary immune responses of zebrafish. We use this model to explain the reported correlation between VDJ usage of B cell repertoires in individual zebrafish. We use a delay ordinary differential equation (ODE) system to model the immune responses in the 6-month lifespan of a zebrafish. This mean field theory gives the number of high-affinity B cells as a function of time during an infection. The sequences of those B cells are then taken from a distribution calculated by a 'microscopic' random energy model. This generalized NK model shows that mature B cells specific to one antigen largely possess a single VDJ recombination. The model allows first-principle calculation of the probability, p, that two zebrafish responding to the same antigen will select the same VDJ recombination. This probability p increases with the B cell population size and the B cell selection intensity. The probability p decreases with the B cell hypermutation rate. The multi-scale model predicts correlations in the immune system of the zebrafish that are highly similar to that from experiment
A multi-scale model for correlation in B cell VDJ usage of zebrafish
Pan, Keyao; Deem, Michael W.
2011-10-01
The zebrafish (Danio rerio) is one of the model animals used for the study of immunology because the dynamics in the adaptive immune system of zebrafish are similar to that in higher animals. In this work, we built a multi-scale model to simulate the dynamics of B cells in the primary and secondary immune responses of zebrafish. We use this model to explain the reported correlation between VDJ usage of B cell repertoires in individual zebrafish. We use a delay ordinary differential equation (ODE) system to model the immune responses in the 6-month lifespan of a zebrafish. This mean field theory gives the number of high-affinity B cells as a function of time during an infection. The sequences of those B cells are then taken from a distribution calculated by a 'microscopic' random energy model. This generalized NK model shows that mature B cells specific to one antigen largely possess a single VDJ recombination. The model allows first-principle calculation of the probability, p, that two zebrafish responding to the same antigen will select the same VDJ recombination. This probability p increases with the B cell population size and the B cell selection intensity. The probability p decreases with the B cell hypermutation rate. The multi-scale model predicts correlations in the immune system of the zebrafish that are highly similar to that from experiment.
Sun, Kaioqiong; Udupa, Jayaram K.; Odhner, Dewey; Tong, Yubing; Torigian, Drew A.
2014-03-01
This paper proposes a thoracic anatomy segmentation method based on hierarchical recognition and delineation guided by a built fuzzy model. Labeled binary samples for each organ are registered and aligned into a 3D fuzzy set representing the fuzzy shape model for the organ. The gray intensity distributions of the corresponding regions of the organ in the original image are recorded in the model. The hierarchical relation and mean location relation between different organs are also captured in the model. Following the hierarchical structure and location relation, the fuzzy shape model of different organs is registered to the given target image to achieve object recognition. A fuzzy connected delineation method is then used to obtain the final segmentation result of organs with seed points provided by recognition. The hierarchical structure and location relation integrated in the model provide the initial parameters for registration and make the recognition efficient and robust. The 3D fuzzy model combined with hierarchical affine registration ensures that accurate recognition can be obtained for both non-sparse and sparse organs. The results on real images are presented and shown to be better than a recently reported fuzzy model-based anatomy recognition strategy.
Multiscale numerical modeling of Ce3+-inhibitor release from novel corrosion protection coatings
International Nuclear Information System (INIS)
Trenado, Carlos; Wittmar, Matthias; Veith, Michael; Strauss, Daniel J; Rosero-Navarro, Nataly C; Aparicio, Mario; Durán, Alicia; Castro, Yolanda
2011-01-01
A novel hybrid sol–gel coating has recently been introduced as an alternative to high toxic chromate-based corrosion protection systems. In this paper, we propose a multiscale computational model to estimate the amount and time scale of inhibitor release of the active corrosion protection coating. Moreover, we study the release rate under the influence of parameters such as porosity and viscosity, which have recently been implicated in the stability of the coating. Numerical simulations obtained with the model predicted experimental release tests and recent findings on the compromise between inhibitor concentration and the stability of the coating
Royle, J. Andrew; Dorazio, Robert M.
2008-01-01
A guide to data collection, modeling and inference strategies for biological survey data using Bayesian and classical statistical methods. This book describes a general and flexible framework for modeling and inference in ecological systems based on hierarchical models, with a strict focus on the use of probability models and parametric inference. Hierarchical models represent a paradigm shift in the application of statistics to ecological inference problems because they combine explicit models of ecological system structure or dynamics with models of how ecological systems are observed. The principles of hierarchical modeling are developed and applied to problems in population, metapopulation, community, and metacommunity systems. The book provides the first synthetic treatment of many recent methodological advances in ecological modeling and unifies disparate methods and procedures. The authors apply principles of hierarchical modeling to ecological problems, including * occurrence or occupancy models for estimating species distribution * abundance models based on many sampling protocols, including distance sampling * capture-recapture models with individual effects * spatial capture-recapture models based on camera trapping and related methods * population and metapopulation dynamic models * models of biodiversity, community structure and dynamics.
Downscaling modelling system for multi-scale air quality forecasting
Nuterman, R.; Baklanov, A.; Mahura, A.; Amstrup, B.; Weismann, J.
2010-09-01
Urban modelling for real meteorological situations, in general, considers only a small part of the urban area in a micro-meteorological model, and urban heterogeneities outside a modelling domain affect micro-scale processes. Therefore, it is important to build a chain of models of different scales with nesting of higher resolution models into larger scale lower resolution models. Usually, the up-scaled city- or meso-scale models consider parameterisations of urban effects or statistical descriptions of the urban morphology, whereas the micro-scale (street canyon) models are obstacle-resolved and they consider a detailed geometry of the buildings and the urban canopy. The developed system consists of the meso-, urban- and street-scale models. First, it is the Numerical Weather Prediction (HIgh Resolution Limited Area Model) model combined with Atmospheric Chemistry Transport (the Comprehensive Air quality Model with extensions) model. Several levels of urban parameterisation are considered. They are chosen depending on selected scales and resolutions. For regional scale, the urban parameterisation is based on the roughness and flux corrections approach; for urban scale - building effects parameterisation. Modern methods of computational fluid dynamics allow solving environmental problems connected with atmospheric transport of pollutants within urban canopy in a presence of penetrable (vegetation) and impenetrable (buildings) obstacles. For local- and micro-scales nesting the Micro-scale Model for Urban Environment is applied. This is a comprehensive obstacle-resolved urban wind-flow and dispersion model based on the Reynolds averaged Navier-Stokes approach and several turbulent closures, i.e. k -É linear eddy-viscosity model, k - É non-linear eddy-viscosity model and Reynolds stress model. Boundary and initial conditions for the micro-scale model are used from the up-scaled models with corresponding interpolation conserving the mass. For the boundaries a
A variational multiscale constitutive model for nanocrystalline materials
Gurses, Ercan; El Sayed, Tamer S.
2011-01-01
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
Improved convergence of gradient-based reconstruction using multi-scale models
International Nuclear Information System (INIS)
Cunningham, G.S.; Hanson, K.M.; Koyfman, I.
1996-01-01
Geometric models have received increasing attention in medical imaging for tasks such as segmentation, reconstruction, restoration, and registration. In order to determine the best configuration of the geometric model in the context of any of these tasks, one needs to perform a difficult global optimization of an energy function that may have many local minima. Explicit models of geometry, also called deformable models, snakes, or active contours, have been used extensively to solve image segmentation problems in a non-Bayesian framework. Researchers have seen empirically that multi-scale analysis is useful for convergence to a configuration that is near the global minimum. In this type of analysis, the image data are convolved with blur functions of increasing resolution, and an optimal configuration of the snake is found for each blurred image. The configuration obtained using the highest resolution blur is used as the solution to the global optimization problem. In this article, the authors use explicit models of geometry for a variety of Bayesian estimation problems, including image segmentation, reconstruction and restoration. The authors introduce a multi-scale approach that blurs the geometric model, rather than the image data, and show that this approach turns a global, highly nonquadratic optimization into a sequence of local, approximately quadratic problems that converge to the global minimum. The result is a deterministic, robust, and efficient optimization strategy applicable to a wide variety of Bayesian estimation problems in which geometric models of images are an important component
Multiscale modeling for the prediction of casting defects in investment cast aluminum alloys
International Nuclear Information System (INIS)
Hamilton, R.W.; See, D.; Butler, S.; Lee, P.D.
2003-01-01
Macroscopic modeling of heat transfer and fluid flow is now routinely used for the prediction of macroscopic defects in castings, while microscopic models are used to investigate the effects of alloy changes on typical microstructures. By combining these two levels of modeling it is possible to simulate the casting process over a wider range of spatial and temporal scales. This paper presents a multiscale model where micromodels for dendrite arm spacing and microporosity are incorporated into a macromodel of heat transfer and in order to predict the as cast microstructure and prevalence of microscopic defects, specifically porosity. The approach is applied to aluminum alloy (L169) investment castings. The models are compared with results obtained by optical image analysis of prepared slices, and X-ray tomography of volume samples from the experiments. Multiscale modeling is shown to provide the designer with a useful tool to improve the properties of the final casting by testing how altering the casting process affects the final microstructure including porosity
Multi-Scale Modeling of the Gamma Radiolysis of Nitrate Solutions.
Horne, Gregory P; Donoclift, Thomas A; Sims, Howard E; Orr, Robin M; Pimblott, Simon M
2016-11-17
A multiscale modeling approach has been developed for the extended time scale long-term radiolysis of aqueous systems. The approach uses a combination of stochastic track structure and track chemistry as well as deterministic homogeneous chemistry techniques and involves four key stages: radiation track structure simulation, the subsequent physicochemical processes, nonhomogeneous diffusion-reaction kinetic evolution, and homogeneous bulk chemistry modeling. The first three components model the physical and chemical evolution of an isolated radiation chemical track and provide radiolysis yields, within the extremely low dose isolated track paradigm, as the input parameters for a bulk deterministic chemistry model. This approach to radiation chemical modeling has been tested by comparison with the experimentally observed yield of nitrite from the gamma radiolysis of sodium nitrate solutions. This is a complex radiation chemical system which is strongly dependent on secondary reaction processes. The concentration of nitrite is not just dependent upon the evolution of radiation track chemistry and the scavenging of the hydrated electron and its precursors but also on the subsequent reactions of the products of these scavenging reactions with other water radiolysis products. Without the inclusion of intratrack chemistry, the deterministic component of the multiscale model is unable to correctly predict experimental data, highlighting the importance of intratrack radiation chemistry in the chemical evolution of the irradiated system.
A multi-scale adaptive model of residential energy demand
International Nuclear Information System (INIS)
Farzan, Farbod; Jafari, Mohsen A.; Gong, Jie; Farzan, Farnaz; Stryker, Andrew
2015-01-01
Highlights: • We extend an energy demand model to investigate changes in behavioral and usage patterns. • The model is capable of analyzing why demand behaves the way it does. • The model empowers decision makers to investigate DSM strategies and effectiveness. • The model provides means to measure the effect of energy prices on daily profile. • The model considers the coupling effects of adopting multiple new technologies. - Abstract: In this paper, we extend a previously developed bottom-up energy demand model such that the model can be used to determine changes in behavioral and energy usage patterns of a community when: (i) new load patterns from Plug-in Electrical Vehicles (PEV) or other devices are introduced; (ii) new technologies and smart devices are used within premises; and (iii) new Demand Side Management (DSM) strategies, such as price responsive demand are implemented. Unlike time series forecasting methods that solely rely on historical data, the model only uses a minimal amount of data at the atomic level for its basic constructs. These basic constructs can be integrated into a household unit or a community model using rules and connectors that are, in principle, flexible and can be altered according to the type of questions that need to be answered. Furthermore, the embedded dynamics of the model works on the basis of: (i) Markovian stochastic model for simulating human activities, (ii) Bayesian and logistic technology adoption models, and (iii) optimization, and rule-based models to respond to price signals without compromising users’ comfort. The proposed model is not intended to replace traditional forecasting models. Instead it provides an analytical framework that can be used at the design stage of new products and communities to evaluate design alternatives. The framework can also be used to answer questions such as why demand behaves the way it does by examining demands at different scales and by playing What-If games. These
Multi-scale modeling for sustainable chemical production
DEFF Research Database (Denmark)
Zhuang, Kai; Bakshi, Bhavik R.; Herrgard, Markus
2013-01-01
associated with the development and implementation of a su stainable biochemical industry. The temporal and spatial scales of modeling approaches for sustainable chemical production vary greatly, ranging from metabolic models that aid the design of fermentative microbial strains to material and monetary flow......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...... models that explore the ecological impacts of all economic activities. Research efforts that attempt to connect the models at different scales have been limited. Here, we review a number of existing modeling approaches and their applications at the scales of metabolism, bioreactor, overall process...
BLEVE overpressure: multi-scale comparison of blast wave modeling
International Nuclear Information System (INIS)
Laboureur, D.; Buchlin, J.M.; Rambaud, P.; Heymes, F.; Lapebie, E.
2014-01-01
BLEVE overpressure modeling has been already widely studied but only few validations including the scale effect have been made. After a short overview of the main models available in literature, a comparison is done with different scales of measurements, taken from previous studies or coming from experiments performed in the frame of this research project. A discussion on the best model to use in different cases is finally proposed. (authors)
Ranking of Business Process Simulation Software Tools with DEX/QQ Hierarchical Decision Model.
Damij, Nadja; Boškoski, Pavle; Bohanec, Marko; Mileva Boshkoska, Biljana
2016-01-01
The omnipresent need for optimisation requires constant improvements of companies' business processes (BPs). Minimising the risk of inappropriate BP being implemented is usually performed by simulating the newly developed BP under various initial conditions and "what-if" scenarios. An effectual business process simulations software (BPSS) is a prerequisite for accurate analysis of an BP. Characterisation of an BPSS tool is a challenging task due to the complex selection criteria that includes quality of visual aspects, simulation capabilities, statistical facilities, quality reporting etc. Under such circumstances, making an optimal decision is challenging. Therefore, various decision support models are employed aiding the BPSS tool selection. The currently established decision support models are either proprietary or comprise only a limited subset of criteria, which affects their accuracy. Addressing this issue, this paper proposes a new hierarchical decision support model for ranking of BPSS based on their technical characteristics by employing DEX and qualitative to quantitative (QQ) methodology. Consequently, the decision expert feeds the required information in a systematic and user friendly manner. There are three significant contributions of the proposed approach. Firstly, the proposed hierarchical model is easily extendible for adding new criteria in the hierarchical structure. Secondly, a fully operational decision support system (DSS) tool that implements the proposed hierarchical model is presented. Finally, the effectiveness of the proposed hierarchical model is assessed by comparing the resulting rankings of BPSS with respect to currently available results.
Robust Real-Time Music Transcription with a Compositional Hierarchical Model.
Pesek, Matevž; Leonardis, Aleš; Marolt, Matija
2017-01-01
The paper presents a new compositional hierarchical model for robust music transcription. Its main features are unsupervised learning of a hierarchical representation of input data, transparency, which enables insights into the learned representation, as well as robustness and speed which make it suitable for real-world and real-time use. The model consists of multiple layers, each composed of a number of parts. The hierarchical nature of the model corresponds well to hierarchical structures in music. The parts in lower layers correspond to low-level concepts (e.g. tone partials), while the parts in higher layers combine lower-level representations into more complex concepts (tones, chords). The layers are learned in an unsupervised manner from music signals. Parts in each layer are compositions of parts from previous layers based on statistical co-occurrences as the driving force of the learning process. In the paper, we present the model's structure and compare it to other hierarchical approaches in the field of music information retrieval. We evaluate the model's performance for the multiple fundamental frequency estimation. Finally, we elaborate on extensions of the model towards other music information retrieval tasks.
Molenaar, Dylan; Tuerlinckx, Francis; van der Maas, Han L J
2015-05-01
We show how the hierarchical model for responses and response times as developed by van der Linden (2007), Fox, Klein Entink, and van der Linden (2007), Klein Entink, Fox, and van der Linden (2009), and Glas and van der Linden (2010) can be simplified to a generalized linear factor model with only the mild restriction that there is no hierarchical model at the item side. This result is valuable as it enables all well-developed modelling tools and extensions that come with these methods. We show that the restriction we impose on the hierarchical model does not influence parameter recovery under realistic circumstances. In addition, we present two illustrative real data analyses to demonstrate the practical benefits of our approach. © 2014 The British Psychological Society.
Energy Technology Data Exchange (ETDEWEB)
Mehrez, Loujaine [University of Southern California; Ghanem, Roger [University of Southern California; Aitharaju, Venkat [General Motors; Rodgers, William [General Motors
2017-10-23
Design of non-crimp fabric (NCF) composites entails major challenges pertaining to (1) the complex fine-scale morphology of the constituents, (2) the manufacturing-produced inconsistency of this morphology spatially, and thus (3) the ability to build reliable, robust, and efficient computational surrogate models to account for this complex nature. Traditional approaches to construct computational surrogate models have been to average over the fluctuations of the material properties at different scale lengths. This fails to account for the fine-scale features and fluctuations in morphology, material properties of the constituents, as well as fine-scale phenomena such as damage and cracks. In addition, it fails to accurately predict the scatter in macroscopic properties, which is vital to the design process and behavior prediction. In this work, funded in part by the Department of Energy, we present an approach for addressing these challenges by relying on polynomial chaos representations of both input parameters and material properties at different scales. Moreover, we emphasize the efficiency and robustness of integrating the polynomial chaos expansion with multiscale tools to perform multiscale assimilation, characterization, propagation, and prediction, all of which are necessary to construct the data-driven surrogate models required to design under the uncertainty of composites. These data-driven constructions provide an accurate map from parameters (and their uncertainties) at all scales and the system-level behavior relevant for design. While this perspective is quite general and applicable to all multiscale systems, NCF composites present a particular hierarchy of scales that permits the efficient implementation of these concepts.
Multiscale modeling of large deformations in 3-D polycrystals
International Nuclear Information System (INIS)
Lu Jing; Maniatty, Antoinette; Misiolek, Wojciech; Bandar, Alexander
2004-01-01
An approach for modeling 3-D polycrystals, linking to the macroscale, is presented. A Potts type model is used to generate a statistically representative grain structures with periodicity to allow scale-linking. The grain structures are compared to experimentally observed grain structures to validate that they are representative. A macroscale model of a compression test is compared against an experimental compression test for an Al-Mg-Si alloy to determine various deformation paths at different locations in the samples. These deformation paths are then applied to the experimental grain structure using a scale-bridging technique. Preliminary results from this work will be presented and discussed
Chapman, Robin S.; Hesketh, Linda J.; Kistler, Doris J.
2002-01-01
Longitudinal change in syntax comprehension and production skill, measured over six years, was modeled in 31 individuals (ages 5-20) with Down syndrome. The best fitting Hierarchical Linear Modeling model of comprehension uses age and visual and auditory short-term memory as predictors of initial status, and age for growth trajectory. (Contains…
Subedi, Bidya Raj; Reese, Nancy; Powell, Randy
2015-01-01
This study explored significant predictors of student's Grade Point Average (GPA) and truancy (days absent), and also determined teacher effectiveness based on proportion of variance explained at teacher level model. We employed a two-level hierarchical linear model (HLM) with student and teacher data at level-1 and level-2 models, respectively.…
Heuristics for Hierarchical Partitioning with Application to Model Checking
DEFF Research Database (Denmark)
Möller, Michael Oliver; Alur, Rajeev
2001-01-01
Given a collection of connected components, it is often desired to cluster together parts of strong correspondence, yielding a hierarchical structure. We address the automation of this process and apply heuristics to battle the combinatorial and computational complexity. We define a cost function...... that captures the quality of a structure relative to the connections and favors shallow structures with a low degree of branching. Finding a structure with minimal cost is NP-complete. We present a greedy polynomial-time algorithm that approximates good solutions incrementally by local evaluation of a heuristic...... function. We argue for a heuristic function based on four criteria: the number of enclosed connections, the number of components, the number of touched connections and the depth of the structure. We report on an application in the context of formal verification, where our algorithm serves as a preprocessor...
A Multiscale Survival Process for Modeling Human Activity Patterns.
Zhang, Tianyang; Cui, Peng; Song, Chaoming; Zhu, Wenwu; Yang, Shiqiang
2016-01-01
Human activity plays a central role in understanding large-scale social dynamics. It is well documented that individual activity pattern follows bursty dynamics characterized by heavy-tailed interevent time distributions. Here we study a large-scale online chatting dataset consisting of 5,549,570 users, finding that individual activity pattern varies with timescales whereas existing models only approximate empirical observations within a limited timescale. We propose a novel approach that models the intensity rate of an individual triggering an activity. We demonstrate that the model precisely captures corresponding human dynamics across multiple timescales over five orders of magnitudes. Our model also allows extracting the population heterogeneity of activity patterns, characterized by a set of individual-specific ingredients. Integrating our approach with social interactions leads to a wide range of implications.
Modeling the multi-scale mechanisms of macromolecular resource allocation
DEFF Research Database (Denmark)
Yang, Laurence; Yurkovich, James T; King, Zachary A
2018-01-01
As microbes face changing environments, they dynamically allocate macromolecular resources to produce a particular phenotypic state. Broad 'omics' data sets have revealed several interesting phenomena regarding how the proteome is allocated under differing conditions, but the functional consequen...... and detail how mathematical models have aided in our understanding of these processes. Ultimately, such modeling efforts have helped elucidate the principles of proteome allocation and hold promise for further discovery....
Multiscale Modeling of a Conditionally Disordered pH-Sensing Chaperone
Ahlstrom, Logan S.; Law, Sean M.; Dickson, Alex; Brooks, Charles L.
2015-01-01
The pH-sensing chaperone HdeA promotes the survival of enteropathogenic bacteria during transit through the harshly acidic environment of the mammalian stomach. At low pH, HdeA transitions from an inactive, folded, dimer to chaperone-active, disordered, monomers to protect against the acid-induced aggregation of periplasmic proteins. Toward achieving a detailed mechanistic understanding of the pH response of HdeA, we develop a multiscale modeling approach to capture its pH-dependent thermodyn...
Paiva, L. R.; Martins, M. L.
2011-01-01
A multiscale model for tumor growth and its chemotherapy using conjugate nanoparticles is presented, and the corresponding therapeutic outcomes are evaluated. It is found that doxorubicin assembled into chimeric polypeptide nanoparticles cannot eradicate either vascularized primary tumors or avascular micrometastasis even administrated at loads close to their maximum tolerated doses. Furthermore, an effective and safety treatment demands for conjugate nanoparticles targeted to the malignant cells with much higher specificity and affinity than those currently observed in order to leave most of the normal tissues unaffected and to ensure a fast intracellular drug accumulation.
Multiscale sagebrush rangeland habitat modeling in southwest Wyoming
Homer, Collin G.; Aldridge, Cameron L.; Meyer, Debra K.; Coan, Michael J.; Bowen, Zachary H.
2009-01-01
Sagebrush-steppe ecosystems in North America have experienced dramatic elimination and degradation since European settlement. As a result, sagebrush-steppe dependent species have experienced drastic range contractions and population declines. Coordinated ecosystem-wide research, integrated with monitoring and management activities, would improve the ability to maintain existing sagebrush habitats. However, current data only identify resource availability locally, with rigorous spatial tools and models that accurately model and map sagebrush habitats over large areas still unavailable. Here we report on an effort to produce a rigorous large-area sagebrush-habitat classification and inventory with statistically validated products and estimates of precision in the State of Wyoming. This research employs a combination of significant new tools, including (1) modeling sagebrush rangeland as a series of independent continuous field components that can be combined and customized by any user at multiple spatial scales; (2) collecting ground-measured plot data on 2.4-meter imagery in the same season the satellite imagery is acquired; (3) effective modeling of ground-measured data on 2.4-meter imagery to maximize subsequent extrapolation; (4) acquiring multiple seasons (spring, summer, and fall) of an additional two spatial scales of imagery (30 meter and 56 meter) for optimal large-area modeling; (5) using regression tree classification technology that optimizes data mining of multiple image dates, ratios, and bands with ancillary data to extrapolate ground training data to coarser resolution sensors; and (6) employing rigorous accuracy assessment of model predictions to enable users to understand the inherent uncertainties. First-phase results modeled eight rangeland components (four primary targets and four secondary targets) as continuous field predictions. The primary targets included percent bare ground, percent herbaceousness, percent shrub, and percent litter. The
Multi-scale modeling of ductile failure in metallic alloys
International Nuclear Information System (INIS)
Pardoen, Th.; Scheyvaerts, F.; Simar, A.; Tekoglu, C.; Onck, P.R.
2010-01-01
Micro-mechanical models for ductile failure have been developed in the seventies and eighties essentially to address cracking in structural applications and complement the fracture mechanics approach. Later, this approach has become attractive for physical metallurgists interested by the prediction of failure during forming operations and as a guide for the design of more ductile and/or high-toughness microstructures. Nowadays, a realistic treatment of damage evolution in complex metallic microstructures is becoming feasible when sufficiently sophisticated constitutive laws are used within the context of a multilevel modelling strategy. The current understanding and the state of the art models for the nucleation, growth and coalescence of voids are reviewed with a focus on the underlying physics. Considerations are made about the introduction of the different length scales associated with the microstructure and damage process. Two applications of the methodology are then described to illustrate the potential of the current models. The first application concerns the competition between intergranular and transgranular ductile fracture in aluminum alloys involving soft precipitate free zones along the grain boundaries. The second application concerns the modeling of ductile failure in friction stir welded joints, a problem which also involves soft and hard zones, albeit at a larger scale. (authors)
Multiscale modeling of ductile failure in metallic alloys
Pardoen, Thomas; Scheyvaerts, Florence; Simar, Aude; Tekoğlu, Cihan; Onck, Patrick R.
2010-04-01
Micromechanical models for ductile failure have been developed in the 1970s and 1980s essentially to address cracking in structural applications and complement the fracture mechanics approach. Later, this approach has become attractive for physical metallurgists interested by the prediction of failure during forming operations and as a guide for the design of more ductile and/or high-toughness microstructures. Nowadays, a realistic treatment of damage evolution in complex metallic microstructures is becoming feasible when sufficiently sophisticated constitutive laws are used within the context of a multilevel modelling strategy. The current understanding and the state of the art models for the nucleation, growth and coalescence of voids are reviewed with a focus on the underlying physics. Considerations are made about the introduction of the different length scales associated with the microstructure and damage process. Two applications of the methodology are then described to illustrate the potential of the current models. The first application concerns the competition between intergranular and transgranular ductile fracture in aluminum alloys involving soft precipitate free zones along the grain boundaries. The second application concerns the modeling of ductile failure in friction stir welded joints, a problem which also involves soft and hard zones, albeit at a larger scale.
Collaborative Multi-Scale 3d City and Infrastructure Modeling and Simulation
Breunig, M.; Borrmann, A.; Rank, E.; Hinz, S.; Kolbe, T.; Schilcher, M.; Mundani, R.-P.; Jubierre, J. R.; Flurl, M.; Thomsen, A.; Donaubauer, A.; Ji, Y.; Urban, S.; Laun, S.; Vilgertshofer, S.; Willenborg, B.; Menninghaus, M.; Steuer, H.; Wursthorn, S.; Leitloff, J.; Al-Doori, M.; Mazroobsemnani, N.
2017-09-01
Computer-aided collaborative and multi-scale 3D planning are challenges for complex railway and subway track infrastructure projects in the built environment. Many legal, economic, environmental, and structural requirements have to be taken into account. The stringent use of 3D models in the different phases of the planning process facilitates communication and collaboration between the stake holders such as civil engineers, geological engineers, and decision makers. This paper presents concepts, developments, and experiences gained by an interdisciplinary research group coming from civil engineering informatics and geo-informatics banding together skills of both, the Building Information Modeling and the 3D GIS world. New approaches including the development of a collaborative platform and 3D multi-scale modelling are proposed for collaborative planning and simulation to improve the digital 3D planning of subway tracks and other infrastructures. Experiences during this research and lessons learned are presented as well as an outlook on future research focusing on Building Information Modeling and 3D GIS applications for cities of the future.
Multi-scale modelling and numerical simulation of electronic kinetic transport
International Nuclear Information System (INIS)
Duclous, R.
2009-11-01
This research thesis which is at the interface between numerical analysis, plasma physics and applied mathematics, deals with the kinetic modelling and numerical simulations of the electron energy transport and deposition in laser-produced plasmas, having in view the processes of fuel assembly to temperature and density conditions necessary to ignite fusion reactions. After a brief review of the processes at play in the collisional kinetic theory of plasmas, with a focus on basic models and methods to implement, couple and validate them, the author focuses on the collective aspect related to the free-streaming electron transport equation in the non-relativistic limit as well as in the relativistic regime. He discusses the numerical development and analysis of the scheme for the Vlasov-Maxwell system, and the selection of a validation procedure and numerical tests. Then, he investigates more specific aspects of the collective transport: the multi-specie transport, submitted to phase-space discontinuities. Dealing with the multi-scale physics of electron transport with collision source terms, he validates the accuracy of a fast Monte Carlo multi-grid solver for the Fokker-Planck-Landau electron-electron collision operator. He reports realistic simulations for the kinetic electron transport in the frame of the shock ignition scheme, the development and validation of a reduced electron transport angular model. He finally explores the relative importance of the processes involving electron-electron collisions at high energy by means a multi-scale reduced model with relativistic Boltzmann terms
International Nuclear Information System (INIS)
Lee, P.D.; Chirazi, A.; Atwood, R.C.; Wang, W.
2004-01-01
Phase transition phenomena in metallic alloys involve complex physical processes occurring over a wide range of temporal, spatial and energy scales. Multiscale modelling is a powerful methodology for understanding these complex systems. In this paper, a multiscale model of grain and pore formation is presented during solidification. At the microscale, a combined stochastic-deterministic approach based on the cellular automata method is used to solve multicomponent diffusion in a three-phase system (liquid, solid and gas), simulating the nucleation and growth of both grains and pores. The impingement of the growing pores upon the developing solid is also solved to predict the tortuous shape of the porosity, a critical factor for fatigue properties. The micromodel is coupled with a finite element method (FEM) solution of the macroscale heat transfer and fluid flow in industrial castings through the temperature and pressure fields. The result model was used to investigate the influence of local solidification time, hydrogen content, local metallostatic pressure and alloy composition upon the predicted grain structure and pore morphology. Comparison of the model predictions to both laboratory and industrial scale castings are presented
COLLABORATIVE MULTI-SCALE 3D CITY AND INFRASTRUCTURE MODELING AND SIMULATION
Directory of Open Access Journals (Sweden)
M. Breunig
2017-09-01
Full Text Available Computer-aided collaborative and multi-scale 3D planning are challenges for complex railway and subway track infrastructure projects in the built environment. Many legal, economic, environmental, and structural requirements have to be taken into account. The stringent use of 3D models in the different phases of the planning process facilitates communication and collaboration between the stake holders such as civil engineers, geological engineers, and decision makers. This paper presents concepts, developments, and experiences gained by an interdisciplinary research group coming from civil engineering informatics and geo-informatics banding together skills of both, the Building Information Modeling and the 3D GIS world. New approaches including the development of a collaborative platform and 3D multi-scale modelling are proposed for collaborative planning and simulation to improve the digital 3D planning of subway tracks and other infrastructures. Experiences during this research and lessons learned are presented as well as an outlook on future research focusing on Building Information Modeling and 3D GIS applications for cities of the future.
Porta, Alberto; Bari, Vlasta; Ranuzzi, Giovanni; De Maria, Beatrice; Baselli, Giuseppe
2017-09-01
We propose a multiscale complexity (MSC) method assessing irregularity in assigned frequency bands and being appropriate for analyzing the short time series. It is grounded on the identification of the coefficients of an autoregressive model, on the computation of the mean position of the poles generating the components of the power spectral density in an assigned frequency band, and on the assessment of its distance from the unit circle in the complex plane. The MSC method was tested on simulations and applied to the short heart period (HP) variability series recorded during graded head-up tilt in 17 subjects (age from 21 to 54 years, median = 28 years, 7 females) and during paced breathing protocols in 19 subjects (age from 27 to 35 years, median = 31 years, 11 females) to assess the contribution of time scales typical of the cardiac autonomic control, namely in low frequency (LF, from 0.04 to 0.15 Hz) and high frequency (HF, from 0.15 to 0.5 Hz) bands to the complexity of the cardiac regulation. The proposed MSC technique was compared to a traditional model-free multiscale method grounded on information theory, i.e., multiscale entropy (MSE). The approach suggests that the reduction of HP variability complexity observed during graded head-up tilt is due to a regularization of the HP fluctuations in LF band via a possible intervention of sympathetic control and the decrement of HP variability complexity observed during slow breathing is the result of the regularization of the HP variations in both LF and HF bands, thus implying the action of physiological mechanisms working at time scales even different from that of respiration. MSE did not distinguish experimental conditions at time scales larger than 1. Over a short time series MSC allows a more insightful association between cardiac control complexity and physiological mechanisms modulating cardiac rhythm compared to a more traditional tool such as MSE.
A Physiologically Based, Multi-Scale Model of Skeletal Muscle Structure and Function
Röhrle, O.; Davidson, J. B.; Pullan, A. J.
2012-01-01
Models of skeletal muscle can be classified as phenomenological or biophysical. Phenomenological models predict the muscle’s response to a specified input based on experimental measurements. Prominent phenomenological models are the Hill-type muscle models, which have been incorporated into rigid-body modeling frameworks, and three-dimensional continuum-mechanical models. Biophysically based models attempt to predict the muscle’s response as emerging from the underlying physiology of the system. In this contribution, the conventional biophysically based modeling methodology is extended to include several structural and functional characteristics of skeletal muscle. The result is a physiologically based, multi-scale skeletal muscle finite element model that is capable of representing detailed, geometrical descriptions of skeletal muscle fibers and their grouping. Together with a well-established model of motor-unit recruitment, the electro-physiological behavior of single muscle fibers within motor units is computed and linked to a continuum-mechanical constitutive law. The bridging between the cellular level and the organ level has been achieved via a multi-scale constitutive law and homogenization. The effect of homogenization has been investigated by varying the number of embedded skeletal muscle fibers and/or motor units and computing the resulting exerted muscle forces while applying the same excitatory input. All simulations were conducted using an anatomically realistic finite element model of the tibialis anterior muscle. Given the fact that the underlying electro-physiological cellular muscle model is capable of modeling metabolic fatigue effects such as potassium accumulation in the T-tubular space and inorganic phosphate build-up, the proposed framework provides a novel simulation-based way to investigate muscle behavior ranging from motor-unit recruitment to force generation and fatigue. PMID:22993509
A physiologically based, multi-scale model of skeletal muscle structure and function
Directory of Open Access Journals (Sweden)
Oliver eRöhrle
2012-09-01
Full Text Available Models of skeletal muscle can be classified as phenomenological or biophysical. Phenomenological models predict the muscle's response to a specified input based on experimental measurements. Prominent phenomenological models are the Hill-type muscle models, which have been incorporated into rigid-body modelling frameworks, and three-dimensional continuum-mechanical models. Biophysically based models attempt to predict the muscle's response as emerging from the underlying physiology of the system. In this contribution, the conventional biophysically based modelling methodology is extended to include several structural and functional characteristics of skeletal muscle. The result is a physiologically based, multi-scale skeletal muscle finite element model that is capable of representing detailed, geometrical descriptions of skeletal muscle fibres and their grouping. Together with a well-established model of motor unit recruitment, the electro-physiological behaviour of single muscle fibres within motor units is computed and linked to a continuum-mechanical constitutive law. The bridging between the cellular level and the organ level has been achieved via a multi-scale constitutive law and homogenisation. The effect of homogenisation has been investigated by varying the number of embedded skeletal muscle fibres and/or motor units and computing the resulting exerted muscle forces while applying the same excitatory input. All simulations were conducted using an anatomically realistic finite element model of the Tibialis Anterior muscle. Given the fact that the underlying electro-physiological cellular muscle model is capable of modelling metabolic fatigue effects such as potassium accumulation in the T-tubular space and inorganic phosphate build-up, the proposed framework provides a novel simulation-based way to investigate muscle behaviour ranging from motor unit recruitment to force generation and fatigue.
Microstructure-based multiscale modeling of elevated temperature deformation in aluminum alloys
International Nuclear Information System (INIS)
Krajewski, Paul E.; Hector, Louis G.; Du Ningning; Bower, Allan F.
2010-01-01
A multiscale model for predicting elevated temperature deformation in Al-Mg alloys is presented. Constitutive models are generated from a theoretical methodology and used to investigate the effects of grain size on formability. Flow data are computed with a polycrystalline, microstructure-based model which accounts for grain boundary sliding, stress-induced diffusion, and dislocation creep. Favorable agreement is found between the computed flow data and elevated temperature tensile measurements. A creep constitutive model is then fit to the computed flow data and used in finite-element simulations of two simple gas pressure forming processes, where favorable results are observed. These results are fully consistent with gas pressure forming experiments, and suggest a greater role for constitutive models, derived largely from theoretical methodologies, in the design of Al alloys with enhanced elevated temperature formability. The methodology detailed herein provides a framework for incorporation of results from atomistic-scale models of dislocation creep and diffusion.
A Multiscale Modeling System: Developments, Applications, and Critical Issues
Tao, Wei-Kuo; Lau, William; Simpson, Joanne; Chern, Jiun-Dar; Atlas, Robert; Khairoutdinov, David Randall Marat; Li, Jui-Lin; Waliser, Duane E.; Jiang, Jonathan; Hou, Arthur;
2009-01-01
The foremost challenge in parameterizing convective clouds and cloud systems in large-scale models are the many coupled dynamical and physical processes that interact over a wide range of scales, from microphysical scales to the synoptic and planetary scales. This makes the comprehension and representation of convective clouds and cloud systems one of the most complex scientific problems in Earth science. During the past decade, the Global Energy and Water Cycle Experiment (GEWEX) Cloud System Study (GCSS) has pioneered the use of single-column models (SCMs) and cloud-resolving models (CRMs) for the evaluation of the cloud and radiation parameterizations in general circulation models (GCMs; e.g., GEWEX Cloud System Science Team 1993). These activities have uncovered many systematic biases in the radiation, cloud and convection parameterizations of GCMs and have led to the development of new schemes (e.g., Zhang 2002; Pincus et al, 2003; Zhang and Wu 2003; Wu et al. 2003; Liang and Wu 2005; Wu and Liang 2005, and others). Comparisons between SCMs and CRMs using the same large-scale forcing derived from field campaigns have demonstrated that CRMs are superior to SCMs in the prediction of temperature and moisture tendencies (e.g., Das et al. 1999; Randall et al 2003b; Xie et al. 2005).
Multiscale mass-spring models of carbon nanotube foams
Fraternali, F.; Blesgen, T.; Amendola, A.; Daraio, C.
This article is concerned with the mechanical properties of dense, vertically aligned CNT foams subject to one-dimensional compressive loading. We develop a discrete model directly inspired by the micromechanical response reported experimentally for CNT foams, where infinitesimal portions of the
Complex Automata: Multi-scale Modeling with Coupled Cellular Automata
Hoekstra, A.G.; Caiazzo, A.; Lorenz, E.; Falcone, J.-L.; Chopard, B.; Hoekstra, A.G.; Kroc, J.; Sloot, P.M.A.
2010-01-01
Cellular Automata (CA) are generally acknowledged to be a powerful way to describe and model natural phenomena [1-3]. There are even tempting claims that nature itself is one big (quantum) information processing system, e.g. [4], and that CA may actually be nature’s way to do this processing [5-7].
Multiscale modeling and topology optimization of poroelastic actuators
DEFF Research Database (Denmark)
Andreasen, Casper Schousboe; Sigmund, Ole
2012-01-01
This paper presents a method for design of optimized poroelastic materials which under internal pressurization turn into actuators for application in, for example, linear motors. The actuators are modeled in a two-scale fluid–structure interaction approach. The fluid saturated material microstruc...
Multi-scale modeling of carbon capture systems
Energy Technology Data Exchange (ETDEWEB)
Kress, Joel David [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
2017-03-03
The development and scale up of cost effective carbon capture processes is of paramount importance to enable the widespread deployment of these technologies to significantly reduce greenhouse gas emissions. The U.S. Department of Energy initiated the Carbon Capture Simulation Initiative (CCSI) in 2011 with the goal of developing a computational toolset that would enable industry to more effectively identify, design, scale up, operate, and optimize promising concepts. The first half of the presentation will introduce the CCSI Toolset consisting of basic data submodels, steady-state and dynamic process models, process optimization and uncertainty quantification tools, an advanced dynamic process control framework, and high-resolution filtered computationalfluid- dynamics (CFD) submodels. The second half of the presentation will describe a high-fidelity model of a mesoporous silica supported, polyethylenimine (PEI)-impregnated solid sorbent for CO_{2} capture. The sorbent model includes a detailed treatment of transport and amine-CO_{2}- H_{2}O interactions based on quantum chemistry calculations. Using a Bayesian approach for uncertainty quantification, we calibrate the sorbent model to Thermogravimetric (TGA) data.
Tempered stable distributions stochastic models for multiscale processes
Grabchak, Michael
2015-01-01
This brief is concerned with tempered stable distributions and their associated Levy processes. It is a good text for researchers interested in learning about tempered stable distributions. A tempered stable distribution is one which takes a stable distribution and modifies its tails to make them lighter. The motivation for this class comes from the fact that infinite variance stable distributions appear to provide a good fit to data in a variety of situations, but the extremely heavy tails of these models are not realistic for most real world applications. The idea of using distributions that modify the tails of stable models to make them lighter seems to have originated in the influential paper of Mantegna and Stanley (1994). Since then, these distributions have been extended and generalized in a variety of ways. They have been applied to a wide variety of areas including mathematical finance, biostatistics,computer science, and physics.
Model Reduction and Coarse-Graining Approaches for Multiscale Phenomena
Gorban, Alexander N; Theodoropoulos, Constantinos; Kazantzis, Nikolaos K; Öttinger, Hans Christian
2006-01-01
Model reduction and coarse-graining are important in many areas of science and engineering. How does a system with many degrees of freedom become one with fewer? How can a reversible micro-description be adapted to the dissipative macroscopic model? These crucial questions, as well as many other related problems, are discussed in this book. Specific areas of study include dynamical systems, non-equilibrium statistical mechanics, kinetic theory, hydrodynamics and mechanics of continuous media, (bio)chemical kinetics, nonlinear dynamics, nonlinear control, nonlinear estimation, and particulate systems from various branches of engineering. The generic nature and the power of the pertinent conceptual, analytical and computational frameworks helps eliminate some of the traditional language barriers, which often unnecessarily impede scientific progress and the interaction of researchers between disciplines such as physics, chemistry, biology, applied mathematics and engineering. All contributions are authored by ex...
Multiscale modeling of lithium ion batteries: thermal aspects
Directory of Open Access Journals (Sweden)
Arnulf Latz
2015-04-01
Full Text Available The thermal behavior of lithium ion batteries has a huge impact on their lifetime and the initiation of degradation processes. The development of hot spots or large local overpotentials leading, e.g., to lithium metal deposition depends on material properties as well as on the nano- und microstructure of the electrodes. In recent years a theoretical structure emerges, which opens the possibility to establish a systematic modeling strategy from atomistic to continuum scale to capture and couple the relevant phenomena on each scale. We outline the building blocks for such a systematic approach and discuss in detail a rigorous approach for the continuum scale based on rational thermodynamics and homogenization theories. Our focus is on the development of a systematic thermodynamically consistent theory for thermal phenomena in batteries at the microstructure scale and at the cell scale. We discuss the importance of carefully defining the continuum fields for being able to compare seemingly different phenomenological theories and for obtaining rules to determine unknown parameters of the theory by experiments or lower-scale theories. The resulting continuum models for the microscopic and the cell scale are numerically solved in full 3D resolution. The complex very localized distributions of heat sources in a microstructure of a battery and the problems of mapping these localized sources on an averaged porous electrode model are discussed by comparing the detailed 3D microstructure-resolved simulations of the heat distribution with the result of the upscaled porous electrode model. It is shown, that not all heat sources that exist on the microstructure scale are represented in the averaged theory due to subtle cancellation effects of interface and bulk heat sources. Nevertheless, we find that in special cases the averaged thermal behavior can be captured very well by porous electrode theory.
Computational multiscale modeling of fluids and solids theory and applications
Steinhauser, Martin Oliver
2017-01-01
The idea of the book is to provide a comprehensive overview of computational physics methods and techniques, that are used for materials modeling on different length and time scales. Each chapter first provides an overview of the basic physical principles which are the basis for the numerical and mathematical modeling on the respective length-scale. The book includes the micro-scale, the meso-scale and the macro-scale, and the chapters follow this classification. The book explains in detail many tricks of the trade of some of the most important methods and techniques that are used to simulate materials on the perspective levels of spatial and temporal resolution. Case studies are included to further illustrate some methods or theoretical considerations. Example applications for all techniques are provided, some of which are from the author’s own contributions to some of the research areas. The second edition has been expanded by new sections in computational models on meso/macroscopic scales for ocean and a...
Multiscale modeling of transport of grains through granular assemblies
Directory of Open Access Journals (Sweden)
Tejada Ignacio G
2017-01-01
Full Text Available We investigate the transport of moderately large passive particles through granular assemblies caused by seeping flows. This process can only be described by highly nonlinear continuum models, since the local permeability, the advection and dispersion mechanisms are strongly determined by the concentration of transported particles. Particles may sometimes get temporally trapped and thus proper kinetic mass transfer models are required. The mass transfer depends on the complexity of the porous medium, the kind of interaction forces and the concentration of transported particles. We study these two issues by means of numerical and laboratory experiments. In the laboratory we use an oedo-permeameter to force sand grains to move through a gravel bed under conditions of constant hydraulic pressure drop. To understand the process, numerical experiments were performed to approach particle transport at the grain scale with a fully coupled method. The DEM-PFV combines the discrete element method with a pore scale finite volume formulation to solve the interstitial fluid flow and particle transport problems. These experiments help us to set up a continuum transport model that can be used in a boundary value problem.
A Multiscale Model Evaluates Screening for Neoplasia in Barrett's Esophagus.
Directory of Open Access Journals (Sweden)
Kit Curtius
2015-05-01
Full Text Available Barrett's esophagus (BE patients are routinely screened for high grade dysplasia (HGD and esophageal adenocarcinoma (EAC through endoscopic screening, during which multiple esophageal tissue samples are removed for histological analysis. We propose a computational method called the multistage clonal expansion for EAC (MSCE-EAC screening model that is used for screening BE patients in silico to evaluate the effects of biopsy sampling, diagnostic sensitivity, and treatment on disease burden. Our framework seamlessly integrates relevant cell-level processes during EAC development with a spatial screening process to provide a clinically relevant model for detecting dysplastic and malignant clones within the crypt-structured BE tissue. With this computational approach, we retain spatio-temporal information about small, unobserved tissue lesions in BE that may remain undetected during biopsy-based screening but could be detected with high-resolution imaging. This allows evaluation of the efficacy and sensitivity of current screening protocols to detect neoplasia (dysplasia and early preclinical EAC in the esophageal lining. We demonstrate the clinical utility of this model by predicting three important clinical outcomes: (1 the probability that small cancers are missed during biopsy-based screening, (2 the potential gains in neoplasia detection probabilities if screening occurred via high-resolution tomographic imaging, and (3 the efficacy of ablative treatments that result in the curative depletion of metaplastic and neoplastic cell populations in BE in terms of the long-term impact on reducing EAC incidence.
Sulfur Deactivation of NOx Storage Catalysts: A Multiscale Modeling Approach
Directory of Open Access Journals (Sweden)
Rankovic N.
2013-09-01
Full Text Available Lean NOx Trap (LNT catalysts, a promising solution for reducing the noxious nitrogen oxide emissions from the lean burn and Diesel engines, are technologically limited by the presence of sulfur in the exhaust gas stream. Sulfur stemming from both fuels and lubricating oils is oxidized during the combustion event and mainly exists as SOx (SO2 and SO3 in the exhaust. Sulfur oxides interact strongly with the NOx trapping material of a LNT to form thermodynamically favored sulfate species, consequently leading to the blockage of NOx sorption sites and altering the catalyst operation. Molecular and kinetic modeling represent a valuable tool for predicting system behavior and evaluating catalytic performances. The present paper demonstrates how fundamental ab initio calculations can be used as a valuable source for designing kinetic models developed in the IFP Exhaust library, intended for vehicle simulations. The concrete example we chose to illustrate our approach was SO3 adsorption on the model NOx storage material, BaO. SO3 adsorption was described for various sites (terraces, surface steps and kinks and bulk for a closer description of a real storage material. Additional rate and sensitivity analyses provided a deeper understanding of the poisoning phenomena.
Salas, W.; Torbick, N.
2017-12-01
Rice greenhouse gas (GHG) emissions in production hot spots have been mapped using multiscale satellite imagery and a processed-based biogeochemical model. The multiscale Synthetic Aperture Radar (SAR) and optical imagery were co-processed and fed into a machine leanring framework to map paddy attributes that are tuned using field observations and surveys. Geospatial maps of rice extent, crop calendar, hydroperiod, and cropping intensity were then used to parameterize the DeNitrification-DeComposition (DNDC) model to estimate emissions. Results, in the Red River Detla for example, show total methane emissions at 345.4 million kgCH4-C equivalent to 11.5 million tonnes CO2e (carbon dioxide equivalent). We further assessed the role of Alternative Wetting and Drying and the impact on GHG and yield across production hot spots with uncertainty estimates. The approach described in this research provides a framework for using SAR to derive maps of rice and landscape characteristics to drive process models like DNDC. These types of tools and approaches will support the next generation of Monitoring, Reporting, and Verification (MRV) to combat climate change and support ecosystem service markets.
Information Management Workflow and Tools Enabling Multiscale Modeling Within ICME Paradigm
Arnold, Steven M.; Bednarcyk, Brett A.; Austin, Nic; Terentjev, Igor; Cebon, Dave; Marsden, Will
2016-01-01
With the increased emphasis on reducing the cost and time to market of new materials, the need for analytical tools that enable the virtual design and optimization of materials throughout their processing - internal structure - property - performance envelope, along with the capturing and storing of the associated material and model information across its lifecycle, has become critical. This need is also fueled by the demands for higher efficiency in material testing; consistency, quality and traceability of data; product design; engineering analysis; as well as control of access to proprietary or sensitive information. Fortunately, material information management systems and physics-based multiscale modeling methods have kept pace with the growing user demands. Herein, recent efforts to establish workflow for and demonstrate a unique set of web application tools for linking NASA GRC's Integrated Computational Materials Engineering (ICME) Granta MI database schema and NASA GRC's Integrated multiscale Micromechanics Analysis Code (ImMAC) software toolset are presented. The goal is to enable seamless coupling between both test data and simulation data, which is captured and tracked automatically within Granta MI®, with full model pedigree information. These tools, and this type of linkage, are foundational to realizing the full potential of ICME, in which materials processing, microstructure, properties, and performance are coupled to enable application-driven design and optimization of materials and structures.
Integration of multiscale dendritic spine structure and function data into systems biology models
Directory of Open Access Journals (Sweden)
James J Mancuso
2014-11-01
Full Text Available Comprising 1011 neurons with 1014 synaptic connections the human brain is the ultimate systems biology puzzle. An increasing body of evidence highlights the observation that changes in brain function, both normal and pathological, consistently correlate with dynamic changes in neuronal anatomy. Anatomical changes occur on a full range of scales from the trafficking of individual proteins, to alterations in synaptic morphology both individually and on a systems level, to reductions in long distance connectivity and brain volume. The major sites of contact for synapsing neurons are dendritic spines, which provide an excellent metric for the number and strength of signaling connections between elements of functional neuronal circuits. A comprehensive model of anatomical changes and their functional consequences would be a holy grail for the field of systems neuroscience but its realization appears far on the horizon. Various imaging technologies have advanced to allow for multi-scale visualization of brain plasticity and pathology, but computational analysis of the massive big data sets involved forms the bottleneck toward the creation of multiscale models of brain structure and function. While a full accounting of techniques and progress toward a comprehensive model of brain anatomy and function is beyond the scope of this or any other single paper, this review serves to highlight the opportunities for analysis of neuronal spine anatomy and function provided by new imaging technologies and the high-throughput application of older technologies while surveying the strengths and weaknesses of currently available computational analytical tools and room for future improvement.
International Nuclear Information System (INIS)
Yang, L H; Tang, M; Moriarty, J A
2001-01-01
Plastic deformation in bcc metals at low temperatures and high-strain rates is controlled by the motion of a/2 screw dislocations, and understanding the fundamental atomistic processes of this motion is essential to develop predictive multiscale models of crystal plasticity. The multiscale modeling approach presented here for bcc Ta is based on information passing, where results of simulations at the atomic scale are used in simulations of plastic deformation at mesoscopic length scales via dislocation dynamics (DD). The relevant core properties of a/2 screw dislocations in Ta have been obtained using quantum-based interatomic potentials derived from model generalized pseudopotential theory and an ab-initio data base together with an accurate Green's-function simulation method that implements flexible boundary conditions. In particular, the stress-dependent activation enthalpy for the lowest-energy kink-pair mechanism has been calculated and fitted to a revealing analytic form. This is the critical quantity determining dislocation mobility in the DD simulations, and the present activation enthalpy is found to be in good agreement with the previous empirical form used to explain the temperature dependence of the yield stress
Multiscale model of short cracks in a random polycrystalline aggregate
International Nuclear Information System (INIS)
Simonovski, I.; Cizelj, L.; Petric, Z.
2006-01-01
A plane-strain finite element crystal plasticity model of microstructurally small stationary crack emanating at a surface grain in a 316L stainless steel is proposed. The model consisting of 212 randomly shaped, sized and oriented grains is loaded monotonically in uniaxial tension to a maximum load of 1.12Rp0.2 (280MPa). The influence that a random grain structure imposes on a Stage I crack is assessed by calculating the crack tip opening (CTOD) and sliding displacements (CTSD) for single crystal as well as for polycrystal models, considering also different crystallographic orientations. In the single crystal case the CTOD and CTSD may differ by more than one order of magnitude. Near the crack tip slip is activated on all the slip planes whereby only two are active in the rest of the model. The maximum CTOD is directly related to the maximal Schmid factors. For the more complex polycrystal cases it is shown that certain crystallographic orientations result in a cluster of soft grains around the crack-containing grain. In these cases the crack tip can become a part of the localized strain, resulting in a large CTOD value. This effect, resulting from the overall grain orientations and sizes, can have a greater impact on the CTOD than the local grain orientation. On the other hand, when a localized soft response is formed away from the crack, the localized strain does not affect the crack tip directly, resulting in a small CTOD value. The resulting difference in CTOD can be up to a factor of 4, depending upon the crystallographic set. Grains as far as 6 times the value of crack length significantly influence that crack tip parameters. It was also found that a larger crack containing grain tends to increase the CTOD. Finally, smaller than expected drop in the CTOD (12.7%) was obtained as the crack approached the grain boundary. This could be due to the assumption of the unchanged crack direction, only monotonic loading and simplified grain boundary modelling. (author)
Tools to estimate PM2.5 mass have expanded in recent years, and now include: 1) stationary monitor readings, 2) Community Multi-Scale Air Quality (CMAQ) model estimates, 3) Hierarchical Bayesian (HB) estimates from combined stationary monitor readings and CMAQ model output; and, ...
Multiscale Reduced Order Modeling of Complex Multi-Bay Structures
2013-07-01
fuselage panel studied in [28], see Fig. 2 for a picture of the actual hardware taken from [28]. The finite element model of the 9-bay panel, shown in...discussed. Two alternatives to reduce the computational time for the solution of these problems are explored. iii A mi familia ...results at P=0.98-1.82 lb/in, P=1.4-2.6 lb/in. The baseline solution P=1.4-2.6 lb/in has a 46 mean value of 2 lb/in and it is actually very close to
Multiscale modeling of materials. Materials Research Society symposium proceedings: Volume 538
International Nuclear Information System (INIS)
Bulatov, V.V.; Diaz de la Rubia, T.; Phillips, R.; Kaxiras, E.; Ghoniem, N.
1999-01-01
The symposium, Multiscale Modeling of Materials, was held at the 1998 MRS Fall Meeting in Boston, Massachusetts, November 30 to December 3. Though multiple scale models are not new the topic has recently taken on a new sense of urgency. This is in large part due to the recognition that brute force computational approaches often fall short of allowing for direct simulation of both the characteristic structures and temporal processes found in real materials. As a result, a number of hybrid approaches are now finding favor in which ideas borrowed from distinct disciplines or modeling paradigms are unified to produce more powerful techniques. Topics included are modeling dislocation properties and behavior, defect dynamics and microstructural evolution, crystal defects and interfaces, novel methods for materials modeling, and non-crystalline and nanocrystalline materials. Eighty papers have been processed separately for inclusion on the data base
Multi-scale modelling for HEDP experiments on Orion
Sircombe, N. J.; Ramsay, M. G.; Hughes, S. J.; Hoarty, D. J.
2016-05-01
The Orion laser at AWE couples high energy long-pulse lasers with high intensity short-pulses, allowing material to be compressed beyond solid density and heated isochorically. This experimental capability has been demonstrated as a platform for conducting High Energy Density Physics material properties experiments. A clear understanding of the physics in experiments at this scale, combined with a robust, flexible and predictive modelling capability, is an important step towards more complex experimental platforms and ICF schemes which rely on high power lasers to achieve ignition. These experiments present a significant modelling challenge, the system is characterised by hydrodynamic effects over nanoseconds, driven by long-pulse lasers or the pre-pulse of the petawatt beams, and fast electron generation, transport, and heating effects over picoseconds, driven by short-pulse high intensity lasers. We describe the approach taken at AWE; to integrate a number of codes which capture the detailed physics for each spatial and temporal scale. Simulations of the heating of buried aluminium microdot targets are discussed and we consider the role such tools can play in understanding the impact of changes to the laser parameters, such as frequency and pre-pulse, as well as understanding effects which are difficult to observe experimentally.
Multiscale modelling of hydrogen embrittlement in zirconium alloys
Energy Technology Data Exchange (ETDEWEB)
Majevadia, Jassel; Wenman, Mark; Balint, Daniel; Sutton, Adrian [Imperial College London (United Kingdom); Nazarov, Roman [MPIE, Dusseldorf (Germany)
2013-07-01
Delayed Hydride Cracking (DHC) is a commonly occurring embrittlement phenomenon in zirconium alloy fuel cladding within Pressurized Water Reactors (PWRs). DHC is caused by the accumulation of hydrogen atoms taken up by the metal, and the formation of brittle hydrides in the vicinity of crack tips. The rate of crack growth is limited by the rate of hydrogen diffusion to the crack, which can be modelled by solving a stress driven diffusion equation that incorporates the elastic interaction between defects. This of interest in the present work. The elastic interaction is calculated by combining defect forces determined through Density Functional Theory (DFT) simulations, and an exact solution for the anisotropic elastic field of an edge dislocation in Zr. making it possible to determine the interaction energy without the need to simulate directly a hydrogen atom in the presence of a crack or dislocation, which is computationally prohibitive with DFT. The result of the elastic interaction energy calculations can be utilised to determine the segregation of hydrogen to a crack tip for varying crack tip geometries, and in the presence of other crystal defects. This is done by implementing a diffusion equation for hydrogen within a discrete dislocation dynamics simulation. In the present work a model has been developed to demonstrate the effect of a single dislocation on hydrogen diffusion to create a Cottrell atmosphere.
The Hierarchical Trend Model for property valuation and local price indices
Francke, M.K.; Vos, G.A.
2002-01-01
This paper presents a hierarchical trend model (HTM) for selling prices of houses, addressing three main problems: the spatial and temporal dependence of selling prices and the dependency of price index changes on housing quality. In this model the general price trend, cluster-level price trends,
Measuring Service Quality in Higher Education: Development of a Hierarchical Model (HESQUAL)
Teeroovengadum, Viraiyan; Kamalanabhan, T. J.; Seebaluck, Ashley Keshwar
2016-01-01
Purpose: This paper aims to develop and empirically test a hierarchical model for measuring service quality in higher education. Design/methodology/approach: The first phase of the study consisted of qualitative research methods and a comprehensive literature review, which allowed the development of a conceptual model comprising 53 service quality…
Avoiding Boundary Estimates in Hierarchical Linear Models through Weakly Informative Priors
Chung, Yeojin; Rabe-Hesketh, Sophia; Gelman, Andrew; Dorie, Vincent; Liu, Jinchen
2012-01-01
Hierarchical or multilevel linear models are widely used for longitudinal or cross-sectional data on students nested in classes and schools, and are particularly important for estimating treatment effects in cluster-randomized trials, multi-site trials, and meta-analyses. The models can allow for variation in treatment effects, as well as…
Chad Babcock; Andrew O. Finley; John B. Bradford; Randy Kolka; Richard Birdsey; Michael G. Ryan
2015-01-01
Many studies and production inventory systems have shown the utility of coupling covariates derived from Light Detection and Ranging (LiDAR) data with forest variables measured on georeferenced inventory plots through regression models. The objective of this study was to propose and assess the use of a Bayesian hierarchical modeling framework that accommodates both...
A Hierarchical Linear Model for Estimating Gender-Based Earnings Differentials.
Haberfield, Yitchak; Semyonov, Moshe; Addi, Audrey
1998-01-01
Estimates of gender earnings inequality in data from 116,431 Jewish workers were compared using a hierarchical linear model (HLM) and ordinary least squares model. The HLM allows estimation of the extent to which earnings inequality depends on occupational characteristics. (SK)
Arrigoni, Matías; Trager, Scott C.; Somerville, Rachel S.; Gibson, Brad K.
We study the metallicities and abundance ratios of early-type galaxies in cosmological semi-analytic models (SAMs) within the hierarchical galaxy formation paradigm. To achieve this we implemented a detailed galactic chemical evolution model and can now predict abundances of individual elements for
Arrigoni, Matias; Trager, Scott C.; Somerville, Rachel S.; Gibson, Brad K.
2010-01-01
We study the metallicities and abundance ratios of early-type galaxies in cosmological semi-analytic models (SAMs) within the hierarchical galaxy formation paradigm. To achieve this we implemented a detailed galactic chemical evolution model and can now predict abundances of individual elements for
Osei, Frank B.; Osei, F.B.; Duker, Alfred A.; Stein, A.
2011-01-01
This study analyses the joint effects of the two transmission routes of cholera on the space-time diffusion dynamics. Statistical models are developed and presented to investigate the transmission network routes of cholera diffusion. A hierarchical Bayesian modelling approach is employed for a joint
A Hybrid PO - Higher-Order Hierarchical MoM Formulation using Curvilinear Geometry Modeling
DEFF Research Database (Denmark)
Jørgensen, E.; Meincke, Peter; Breinbjerg, Olav
2003-01-01
which implies a very modest memory requirement. Nevertheless, the hierarchical feature of the basis functions maintains the ability to treat small geometrical details efficiently. In addition, the scatterer is modelled with higher-order curved patches which allows accurate modelling of curved surfaces...
Numerical Analysis of Electromagnetic Fields in Multiscale Model
International Nuclear Information System (INIS)
Ma Ji; Fang Guang-You; Ji Yi-Cai
2015-01-01
Modeling technique for electromagnetic fields excited by antennas is an important topic in computational electromagnetics, which is concerned with the numerical solution of Maxwell's equations. In this paper, a novel hybrid technique that combines method of moments (MoM) with finite-difference time-domain (FDTD) method is presented to handle the problem. This approach employed Huygen's principle to realize the hybridization of the two classical numerical algorithms. For wideband electromagnetic data, the interpolation scheme is used in the MoM based on the dyadic Green's function. On the other hand, with the help of equivalence principle, the scattered electric and magnetic fields on the Huygen's surface calculated by MoM are taken as the sources for FDTD. Therefore, the electromagnetic fields in the environment can be obtained by employing finite-difference time-domain method. Finally, numerical results show the validity of the proposed technique by analyzing two canonical samples. (paper)
Multiscale Modeling of Thermal Conductivity of Polymer/Carbon Nanocomposites
Clancy, Thomas C.; Frankland, Sarah-Jane V.; Hinkley, Jeffrey A.; Gates, Thomas S.
2010-01-01
Molecular dynamics simulation was used to estimate the interfacial thermal (Kapitza) resistance between nanoparticles and amorphous and crystalline polymer matrices. Bulk thermal conductivities of the nanocomposites were then estimated using an established effective medium approach. To study functionalization, oligomeric ethylene-vinyl alcohol copolymers were chemically bonded to a single wall carbon nanotube. The results, in a poly(ethylene-vinyl acetate) matrix, are similar to those obtained previously for grafted linear hydrocarbon chains. To study the effect of noncovalent functionalization, two types of polyethylene matrices. -- aligned (extended-chain crystalline) vs. amorphous (random coils) were modeled. Both matrices produced the same interfacial thermal resistance values. Finally, functionalization of edges and faces of plate-like graphite nanoparticles was found to be only modestly effective in reducing the interfacial thermal resistance and improving the composite thermal conductivity
Soft tissue deformation using a Hierarchical Finite Element Model.
Faraci, Alessandro; Bello, Fernando; Darzi, Ara
2004-01-01
Simulating soft tissue deformation in real-time has become increasingly important in order to provide a realistic virtual environment for training surgical skills. Several methods have been proposed with the aim of rendering in real-time the mechanical and physiological behaviour of human organs, one of the most popular being Finite Element Method (FEM). In this paper we present a new approach to the solution of the FEM problem introducing the concept of parent and child mesh within the development of a hierarchical FEM. The online selection of the child mesh is presented with the purpose to adapt the mesh hierarchy in real-time. This permits further refinement of the child mesh increasing the detail of the deformation without slowing down the simulation and giving the possibility of integrating force feedback. The results presented demonstrate the application of our proposed framework using a desktop virtual reality (VR) system that incorporates stereo vision with integrated haptics co-location via a desktop Phantom force feedback device.
Transformation of renormalization groups in 2N-component fermion hierarchical model
International Nuclear Information System (INIS)
Stepanov, R.G.
2006-01-01
The 2N-component fermion model on the hierarchical lattice is studied. The explicit formulae for renormalization groups transformation in the space of coefficients setting the Grassmannian-significant density of the free measure are presented. The inverse transformation of the renormalization group is calculated. The definition of immovable points of renormalization groups is reduced to solving the set of algebraic equations. The interesting connection between renormalization group transformations in boson and fermion hierarchical models is found out. It is shown that one transformation is obtained from other one by the substitution of N on -N [ru
Circulation of carbon dioxide in the mantle: multiscale modeling
Morra, G.; Yuen, D. A.; Lee, S.
2012-12-01
Much speculation has been put forward on the quantity and nature of carbon reservoirs in the deep Earth, because of its involvement in the evolution of life at the surface and inside planetary interiors. Carbon penetrates into the Earth's mantle mostly during subduction of oceanic crust, which contains carbonate deposits [1], however the form that it assumes at lower mantle depths is scarcely understood [2], hampering our ability to estimate the amount of carbon in the entire mantle by orders of magnitude. We present simulations of spontaneous degassing of supercritical CO2 using in-house developed novel implementations of the Fast-Multipole Boundary Element Method suitable for modeling two-phase flow (here mantle mineral and free CO2 fluid) through disordered materials such as porous rocks. Because the mutual interaction of droplets immersed either in a fluid or a solid matrix and their weakening effect to the host rock alters the strength of the mantle rocks, at the large scale the fluid phases in the mantle may control the creeping of mantle rocks [3]. In particular our study focuses on the percolation of supercritical CO2, estimated through the solution of the Laplace equation in a porous system, stochastically generated through a series of random Karhunen-Loeve decomposition. The model outcome is employed to extract the transmissivity of supercritical fluids in the mantle from the lowest scale up to the mantle scale and in combination with the creeping flow of the convecting mantle. The emerging scenarios on the global carbon cycle are finally discussed. [1] Boulard, E., et al., New host for carbon in the deep Earth. Proceedings of the National Academy of Sciences, 2011. 108(13): p. 5184-5187. [2] Walter, M.J., et al., Deep Mantle Cycling of Oceanic Crust: Evidence from Diamonds and Their Mineral Inclusions. Science, 2011. 334(6052): p. 54-57. [3] Morra, G., et al., Ascent of Bubbles in Magma Conduits Using Boundary Elements and Particles. Procedia Computer
Multiscale model of metal alloy oxidation at grain boundaries
International Nuclear Information System (INIS)
Sushko, Maria L.; Alexandrov, Vitaly; Schreiber, Daniel K.; Rosso, Kevin M.; Bruemmer, Stephen M.
2015-01-01
High temperature intergranular oxidation and corrosion of metal alloys is one of the primary causes of materials degradation in nuclear systems. In order to gain insights into grain boundary oxidation processes, a mesoscale metal alloy oxidation model is established by combining quantum Density Functional Theory (DFT) and mesoscopic Poisson-Nernst-Planck/classical DFT with predictions focused on Ni alloyed with either Cr or Al. Analysis of species and fluxes at steady-state conditions indicates that the oxidation process involves vacancy-mediated transport of Ni and the minor alloying element to the oxidation front and the formation of stable metal oxides. The simulations further demonstrate that the mechanism of oxidation for Ni-5Cr and Ni-4Al is qualitatively different. Intergranular oxidation of Ni-5Cr involves the selective oxidation of the minor element and not matrix Ni, due to slower diffusion of Ni relative to Cr in the alloy and due to the significantly smaller energy gain upon the formation of nickel oxide compared to that of Cr 2 O 3 . This essentially one-component oxidation process results in continuous oxide formation and a monotonic Cr vacancy distribution ahead of the oxidation front, peaking at alloy/oxide interface. In contrast, Ni and Al are both oxidized in Ni-4Al forming a mixed spinel NiAl 2 O 4 . Different diffusivities of Ni and Al give rise to a complex elemental distribution in the vicinity of the oxidation front. Slower diffusing Ni accumulates in the oxide and metal within 3 nm of the interface, while Al penetrates deeper into the oxide phase. Ni and Al are both depleted from the region 3–10 nm ahead of the oxidation front creating voids. The oxide microstructure is also different. Cr 2 O 3 has a plate-like structure with 1.2–1.7 nm wide pores running along the grain boundary, while NiAl 2 O 4 has 1.5 nm wide pores in the direction parallel to the grain boundary and 0.6 nm pores in the perpendicular direction providing an additional
Components for Atomistic-to-Continuum Multiscale Modeling of Flow in Micro- and Nanofluidic Systems
Directory of Open Access Journals (Sweden)
Helgi Adalsteinsson
2008-01-01
Full Text Available Micro- and nanofluidics pose a series of significant challenges for science-based modeling. Key among those are the wide separation of length- and timescales between interface phenomena and bulk flow and the spatially heterogeneous solution properties near solid-liquid interfaces. It is not uncommon for characteristic scales in these systems to span nine orders of magnitude from the atomic motions in particle dynamics up to evolution of mass transport at the macroscale level, making explicit particle models intractable for all but the simplest systems. Recently, atomistic-to-continuum (A2C multiscale simulations have gained a lot of interest as an approach to rigorously handle particle-level dynamics while also tracking evolution of large-scale macroscale behavior. While these methods are clearly not applicable to all classes of simulations, they are finding traction in systems in which tight-binding, and physically important, dynamics at system interfaces have complex effects on the slower-evolving large-scale evolution of the surrounding medium. These conditions allow decomposition of the simulation into discrete domains, either spatially or temporally. In this paper, we describe how features of domain decomposed simulation systems can be harnessed to yield flexible and efficient software for multiscale simulations of electric field-driven micro- and nanofluidics.
Lu, Huijie; Peng, Zhangli
2017-11-01
Our goal is to develop a high-efficiency multiscale modeling method to predict the stress and deformation of cells during the interactions with their microenvironments in microcirculation and microfluidic devices, including red blood cells (RBCs) and circulating tumor cells (CTCs). There are more than 1 billion people in the world suffering from RBC diseases, e.g. anemia, sickle cell diseases, and malaria. The mechanical properties of RBCs are changed in these diseases due to molecular structure alternations, which is not only important for understanding the disease pathology but also provides an opportunity for diagnostics. On the other hand, the mechanical properties of cancer cells are also altered compared to healthy cells. This can lead to acquired ability to cross the narrow capillary networks and endothelial gaps, which is crucial for metastasis, the leading cause of cancer mortality. Therefore, it is important to predict the deformation and stress of RBCs and CTCs in microcirculations. We are developing a high-efficiency multiscale model of cell-fluid interaction to study these two topics.
Multi-scale modelling of fatigue microcrack initiation
International Nuclear Information System (INIS)
Liu, Jia
2013-01-01
The thesis aims to improve the understanding and simulation of microcrack initiation induced by thermal fatigue and the induced crack network formation. The polycrystalline simulations allow the prediction of both macroscopic cyclic behavior and mean grain distributions of stress, plastic strain and number of cycles to microcrack initiation. Various aggregate meshes have been used, from the simplest ones using cubic grains up to a real 3D aggregate built thanks to many re-polishing and EBSD measurement sequences (Institut P', Poitiers). Tension-compression, cyclic shear and equi-biaxial loadings, with and without mean strain, have been considered. All the predictions are in qualitative agreement with many experimental observations obtained at various scales. The single crystal simulations allow us to predict the effect of slip localization in thin persistent slip bands (PSBs). Inside PSBs, vacancies are produced and annihilated because of cyclic dislocation interactions and may diffuse towards the surrounding matrix. This induces extrusion growth at the free surface of PSBs. Microcracking is modelled by cohesive zones located along the PSB - matrix interfaces. The predicted extrusion rates and numbers of cycles to microcrack initiation are in fair agreement with numerous experimental data concerning single and polycrystals, copper and 316L(N), under either air or inert environment. (author) [fr
Multiscale modeling of fluid flow and mass transport
Masuoka, K.; Yamamoto, H.; Bijeljic, B.; Lin, Q.; Blunt, M. J.
2017-12-01
In recent years, there are some reports on a simulation of fluid flow in pore spaces of rocks using Navier-Stokes equations. These studies mostly adopt a X-ray CT to create 3-D numerical grids of the pores in micro-scale. However, results may be of low accuracy when the rock has a large pore size distribution, because pores, whose size is smaller than resolution of the X-ray CT may be neglected. We recently found out by tracer tests in a laboratory using a brine saturated Ryukyu limestone and inject fresh water that a decrease of chloride concentration took longer time. This phenomenon can be explained due to weak connectivity of the porous networks. Therefore, it is important to simulate entire pore spaces even those of very small sizes in which diffusion is dominant. We have developed a new methodology for multi-level modeling for pore scale fluid flow in porous media. The approach is to combine pore-scale analysis with Darcy-flow analysis using two types of X-ray CT images in different resolutions. Results of the numerical simulations showed a close match with the experimental results. The proposed methodology is an enhancement for analyzing mass transport and flow phenomena in rocks with complicated pore structure.
Directory of Open Access Journals (Sweden)
Rumian Zhong
2015-01-01
Full Text Available A two-step response surface method for multiscale finite element model (FEM updating and validation is presented with respect to Guanhe Bridge, a composite cable-stayed bridge in the National Highway number G15, in China. Firstly, the state equations of both multiscale and single-scale FEM are established based on the basic equation in structural dynamic mechanics to update the multiscale coupling parameters and structural parameters. Secondly, based on the measured data from the structural health monitoring (SHM system, a Monte Carlo simulation is employed to analyze the uncertainty quantification and transmission, where the uncertainties of the multiscale FEM and measured data were considered. The results indicate that the relative errors between the calculated and measured frequencies are less than 2%, and the overlap ratio indexes of each modal frequency are larger than 80% without the average absolute value of relative errors. These demonstrate that the proposed method can be applied to validate the multiscale FEM, and the validated FEM can reflect the current conditions of the real bridge; thus it can be used as the basis for bridge health monitoring, damage prognosis (DP, and safety prognosis (SP.
Fuzzy hierarchical model for risk assessment principles, concepts, and practical applications
Chan, Hing Kai
2013-01-01
Risk management is often complicated by situational uncertainties and the subjective preferences of decision makers. Fuzzy Hierarchical Model for Risk Assessment introduces a fuzzy-based hierarchical approach to solve risk management problems considering both qualitative and quantitative criteria to tackle imprecise information. This approach is illustrated through number of case studies using examples from the food, fashion and electronics sectors to cover a range of applications including supply chain management, green product design and green initiatives. These practical examples explore how this method can be adapted and fine tuned to fit other industries as well. Supported by an extensive literature review, Fuzzy Hierarchical Model for Risk Assessment comprehensively introduces a new method for project managers across all industries as well as researchers in risk management.
Experiments in Error Propagation within Hierarchal Combat Models
2015-09-01
stochastic Lanchester campaign model that contains 18 Blue and 25 Red submarines. The outputs of the campaign models are analyzed statistically. The...sampled in a variety of ways, including just the mean, and used to calculate the attrition coefficients for a stochastic Lanchester campaign model...9 2. Lanchester Models .............................................................................10 III. SCENARIO AND MODEL DEVELOPMENT
International Nuclear Information System (INIS)
Massoud, J.P.; Bugat, St.; Marini, B.; Lidbury, D.; Van Dyck, St.; Debarberis, L.
2008-01-01
Full text of publication follows. In nuclear PWRs, materials undergo degradation due to severe irradiation conditions that may limit their operational life. Utilities operating these reactors must quantify the aging and the potential degradations of reactor pressure vessels and also of internal structures to ensure safe and reliable plant operation. The EURATOM 6. Framework Integrated Project PERFECT (Prediction of Irradiation Damage Effects in Reactor Components) addresses irradiation damage in RPV materials and components by multi-scale modelling. This state-of-the-art approach offers potential advantages over the conventional empirical methods used in current practice of nuclear plant lifetime management. Launched in January 2004, this 48-month project is focusing on two main components of nuclear power plants which are subject to irradiation damage: the ferritic steel reactor pressure vessel and the austenitic steel internals. This project is also an opportunity to integrate the fragmented research and experience that currently exists within Europe in the field of numerical simulation of radiation damage and creates the links with international organisations involved in similar projects throughout the world. Continuous progress in the physical understanding of the phenomena involved in irradiation damage and continuous progress in computer sciences make possible the development of multi-scale numerical tools able to simulate the effects of irradiation on materials microstructure. The consequences of irradiation on mechanical and corrosion properties of materials are also tentatively modelled using such multi-scale modelling. But it requires to develop different mechanistic models at different levels of physics and engineering and to extend the state of knowledge in several scientific fields. And the links between these different kinds of models are particularly delicate to deal with and need specific works. Practically the main objective of PERFECT is to build
Directory of Open Access Journals (Sweden)
Chulkov Vitaliy Olegovich
2012-12-01
Full Text Available This article deals with the infographic modeling of hierarchical management systems exposed to innovative conflicts. The authors analyze the facts that serve as conflict drivers in the construction management environment. The reasons for innovative conflicts include changes in hierarchical structures of management systems, adjustment of workers to new management conditions, changes in the ideology, etc. Conflicts under consideration may involve contradictions between requests placed by customers and the legislation, any risks that may originate from the above contradiction, conflicts arising from any failure to comply with any accepted standards of conduct, etc. One of the main objectives of the theory of hierarchical structures is to develop a model capable of projecting potential innovative conflicts. Models described in the paper reflect dynamic changes in patterns of external impacts within the conflict area. The simplest model element is a monad, or an indivisible set of characteristics of participants at the pre-set level. Interaction between two monads forms a diad. Modeling of situations that involve a different number of monads, diads, resources and impacts can improve methods used to control and manage hierarchical structures in the construction industry. However, in the absence of any mathematical models employed to simulate conflict-related events, processes and situations, any research into, projection and management of interpersonal and group-to-group conflicts are to be performed in the legal environment
Maria Vergara; Samuel A. Cushman; Fermin Urra; Aritz Ruiz-Gonzalez
2016-01-01
Multispecies and multiscale habitat suitability models (HSM) are important to identify the environmental variables and scales influencing habitat selection and facilitate the comparison of closely related species with different ecological requirements. Objectives This study explores the multiscale relationships of habitat suitability for the pine (Martes...
Brad C. Timm; Kevin McGarigal; Samuel A. Cushman; Joseph L. Ganey
2016-01-01
Efficacy of future habitat selection studies will benefit by taking a multi-scale approach. In addition to potentially providing increased explanatory power and predictive capacity, multi-scale habitat models enhance our understanding of the scales at which species respond to their environment, which is critical knowledge required to implement effective...
International Nuclear Information System (INIS)
T.A. Buscheck; Y. Sun; Y. Hao
2006-01-01
The MultiScale ThermoHydrologic Model (MSTHM) predicts thermal-hydrologic (TH) conditions within emplacement tunnels (drifts) and in the adjoining host rock at Yucca Mountain, Nevada, which is the proposed site for a radioactive waste repository in the US. Because these predictions are used in the performance assessment of the Yucca Mountain repository, they must address the influence of variability and uncertainty of the engineered- and natural-system parameters that significantly influence those predictions. Parameter-sensitivity studies show that the MSTHM predictions adequately propagate the influence of parametric variability and uncertainty. Model-validation studies show that the influence of conceptual-model uncertainty on the MSTHM predictions is insignificant compared to that of parametric uncertainty, which is propagated through the MSTHM
On the mass-coupling relation of multi-scale quantum integrable models
Energy Technology Data Exchange (ETDEWEB)
Bajnok, Zoltán; Balog, János [MTA Lendület Holographic QFT Group, Wigner Research Centre,H-1525 Budapest 114, P.O.B. 49 (Hungary); Ito, Katsushi [Department of Physics, Tokyo Institute of Technology,2-12-1 Ookayama, Meguro-ku, Tokyo 152-8551 (Japan); Satoh, Yuji [Institute of Physics, University of Tsukuba,1-1-1 Tennodai, Tsukuba, Ibaraki 305-8571 (Japan); Tóth, Gábor Zsolt [MTA Lendület Holographic QFT Group, Wigner Research Centre,H-1525 Budapest 114, P.O.B. 49 (Hungary)
2016-06-13
We determine exactly the mass-coupling relation for the simplest multi-scale quantum integrable model, the homogenous sine-Gordon model with two independent mass-scales. We first reformulate its perturbed coset CFT description in terms of the perturbation of a projected product of minimal models. This representation enables us to identify conserved tensor currents on the UV side. These UV operators are then mapped via form factor perturbation theory to operators on the IR side, which are characterized by their form factors. The relation between the UV and IR operators is given in terms of the sought-for mass-coupling relation. By generalizing the Θ sum rule Ward identity we are able to derive differential equations for the mass-coupling relation, which we solve in terms of hypergeometric functions. We check these results against the data obtained by numerically solving the thermodynamic Bethe Ansatz equations, and find a complete agreement.
Modeling complex biological flows in multi-scale systems using the APDEC framework
Trebotich, David
2006-09-01
We have developed advanced numerical algorithms to model biological fluids in multiscale flow environments using the software framework developed under the SciDAC APDEC ISIC. The foundation of our computational effort is an approach for modeling DNA laden fluids as ''bead-rod'' polymers whose dynamics are fully coupled to an incompressible viscous solvent. The method is capable of modeling short range forces and interactions between particles using soft potentials and rigid constraints. Our methods are based on higher-order finite difference methods in complex geometry with adaptivity, leveraging algorithms and solvers in the APDEC Framework. Our Cartesian grid embedded boundary approach to incompressible viscous flow in irregular geometries has also been interfaced to a fast and accurate level-sets method within the APDEC Framework for extracting surfaces from volume renderings of medical image data and used to simulate cardio-vascular and pulmonary flows in critical anatomies.
Modelling an industrial anaerobic granular reactor using a multi-scale approach
DEFF Research Database (Denmark)
Feldman, Hannah; Flores Alsina, Xavier; Ramin, Pedram
2017-01-01
The objective of this paper is to show the results of an industrial project dealing with modelling of anaerobic digesters. A multi-scale mathematical approach is developed to describe reactor hydrodynamics, granule growth/distribution and microbial competition/inhibition for substrate/space within...... the biofilm. The main biochemical and physico-chemical processes in the model are based on the Anaerobic Digestion Model No 1 (ADM1) extended with the fate of phosphorus (P), sulfur (S) and ethanol (Et-OH). Wastewater dynamic conditions are reproduced and data frequency increased using the Benchmark...... simulations show the effects on the overall process performance when operational (pH) and loading (S:COD) conditions are modified. Lastly, the effect of intra-granular precipitation on the overall organic/inorganic distribution is assessed at: 1) different times; and, 2) reactor heights. Finally...
A multiscale method for modeling high-aspect-ratio micro/nano flows
Lockerby, Duncan; Borg, Matthew; Reese, Jason
2012-11-01
In this paper we present a new multiscale scheme for simulating micro/nano flows of high aspect ratio in the flow direction, e.g. within long ducts, tubes, or channels, of varying section. The scheme consists of applying a simple hydrodynamic description over the entire domain, and allocating micro sub-domains in very small ``slices'' of the channel. Every micro element is a molecular dynamics simulation (or other appropriate model, e.g., a direct simulation Monte Carlo method for micro-channel gas flows) over the local height of the channel/tube. The number of micro elements as well as their streamwise position is chosen to resolve the geometrical features of the macro channel. While there is no direct communication between individual micro elements, coupling occurs via an iterative imposition of mass and momentum-flux conservation on the macro scale. The greater the streamwise scale of the geometry, the more significant is the computational speed-up when compared to a full MD simulation. We test our new multiscale method on the case of a converging/diverging nanochannel conveying a simple Lennard-Jones liquid. We validate the results from our simulations by comparing them to a full MD simulation of the same test case. Supported by EPSRC Programme Grant, EP/I011927/1.
SU-F-18C-15: Model-Based Multiscale Noise Reduction On Low Dose Cone Beam Projection
International Nuclear Information System (INIS)
Yao, W; Farr, J
2014-01-01
Purpose: To improve image quality of low dose cone beam CT for patient positioning in radiation therapy. Methods: In low dose cone beam CT (CBCT) imaging systems, Poisson process governs the randomness of photon fluence at x-ray source and the detector because of the independent binomial process of photon absorption in medium. On a CBCT projection, the variance of fluence consists of the variance of noiseless imaging structure and that of Poisson noise, which is proportional to the mean (noiseless) of the fluence at the detector. This requires multiscale filters to smoothen noise while keeping the structure information of the imaged object. We used a mathematical model of Poisson process to design multiscale filters and established the balance of noise correction and structure blurring. The algorithm was checked with low dose kilo-voltage CBCT projections acquired from a Varian OBI system. Results: From the investigation of low dose CBCT of a Catphan phantom and patients, it showed that our model-based multiscale technique could efficiently reduce noise and meanwhile keep the fine structure of the imaged object. After the image processing, the number of visible line pairs in Catphan phantom scanned with 4 ms pulse time was similar to that scanned with 32 ms, and soft tissue structure from simulated 4 ms patient head-and-neck images was also comparable with scanned 20 ms ones. Compared with fixed-scale technique, the image quality from multiscale one was improved. Conclusion: Use of projection-specific multiscale filters can reach better balance on noise reduction and structure information loss. The image quality of low dose CBCT can be improved by using multiscale filters
Application of hierarchical genetic models to Raven and WAIS subtests: a Dutch twin study.
Rijsdijk, Frühling V; Vernon, P A; Boomsma, Dorret I
2002-05-01
Hierarchical models of intelligence are highly informative and widely accepted. Application of these models to twin data, however, is sparse. This paper addresses the question of how a genetic hierarchical model fits the Wechsler Adult Intelligence Scale (WAIS) subtests and the Raven Standard Progressive test score, collected in 194 18-year-old Dutch twin pairs. We investigated whether first-order group factors possess genetic and environmental variance independent of the higher-order general factor and whether the hierarchical structure is significant for all sources of variance. A hierarchical model with the 3 Cohen group-factors (verbal comprehension, perceptual organisation and freedom-from-distractibility) and a higher-order g factor showed the best fit to the phenotypic data and to additive genetic influences (A), whereas the unique environmental source of variance (E) could be modeled by a single general factor and specifics. There was no evidence for common environmental influences. The covariation among the WAIS group factors and the covariation between the group factors and the Raven is predominantly influenced by a second-order genetic factor and strongly support the notion of a biological basis of g.
A Hierarchical Bayesian Model to Predict Self-Thinning Line for Chinese Fir in Southern China.
Directory of Open Access Journals (Sweden)
Xiongqing Zhang
Full Text Available Self-thinning is a dynamic equilibrium between forest growth and mortality at full site occupancy. Parameters of the self-thinning lines are often confounded by differences across various stand and site conditions. For overcoming the problem of hierarchical and repeated measures, we used hierarchical Bayesian method to estimate the self-thinning line. The results showed that the self-thinning line for Chinese fir (Cunninghamia lanceolata (Lamb.Hook. plantations was not sensitive to the initial planting density. The uncertainty of model predictions was mostly due to within-subject variability. The simulation precision of hierarchical Bayesian method was better than that of stochastic frontier function (SFF. Hierarchical Bayesian method provided a reasonable explanation of the impact of other variables (site quality, soil type, aspect, etc. on self-thinning line, which gave us the posterior distribution of parameters of self-thinning line. The research of self-thinning relationship could be benefit from the use of hierarchical Bayesian method.
Time to failure of hierarchical load-transfer models of fracture
DEFF Research Database (Denmark)
Vázquez-Prada, M; Gómez, J B; Moreno, Y
1999-01-01
The time to failure, T, of dynamical models of fracture for a hierarchical load-transfer geometry is studied. Using a probabilistic strategy and juxtaposing hierarchical structures of height n, we devise an exact method to compute T, for structures of height n+1. Bounding T, for large n, we are a...... are able to deduce that the time to failure tends to a nonzero value when n tends to infinity. This numerical conclusion is deduced for both power law and exponential breakdown rules....
From Playability to a Hierarchical Game Usability Model
Nacke, Lennart E.
2010-01-01
This paper presents a brief review of current game usability models. This leads to the conception of a high-level game development-centered usability model that integrates current usability approaches in game industry and game research.
Multi-scale modeling of the thermo-mechanical behavior of particle-based composites
International Nuclear Information System (INIS)
Di Paola, F.
2010-01-01
The aim of this work was to perform numerical simulations of the thermal and mechanical behavior of a particle-based nuclear fuel. This is a refractory composite material made of UO 2 spherical particles which are coated with two layers of pyrocarbon and embedded in a graphite matrix at a high volume fraction (45%). The objective was to develop a multi-scale modeling of this composite material which can estimate its mean behavior as well as the heterogeneity of the local mechanical variables. The first part of this work was dedicated to the modeling of the microstructure in 3D. To do this, we developed tools to generate random distributions of spheres, meshes and to characterize the morphology of the microstructure towards the finite element code Cast3M. A hundred of numerical samples of the composite were created. The second part was devoted to the characterization of the thermo-elastic behavior by the finite element modeling of the samples. We studied the influence of different modeling parameters, one of them is the boundary conditions. We proposed a method to vanish the boundary conditions effects from the computed solution by analyzing it on an internal sub-volume of the sample obtained by erosion. Then, we determined the effective properties (elastic moduli, thermal conductivity and thermal expansion) and the stress distribution within the matrix. Finally, in the third part we proposed a multi-scale modeling to determine the mean values and the variance and covariance of the local mechanical variables for any macroscopic load. This statistical approach have been used to estimate the intra-phase distribution of these variables in the composite material. (author) [fr
Multi-scale modeling of the thermo-mechanical behavior of particle-based composites
International Nuclear Information System (INIS)
Di Paola, F.
2010-11-01
The aim of this work was to perform numerical simulations of the thermal and mechanical behavior of a particle-based nuclear fuel. This is a refractory composite material made of UO 2 spherical particles which are coated with two layers of pyrocarbon and embedded in a graphite matrix at a high volume fraction (45 %). The objective was to develop a multi-scale modeling of this composite material which can estimate its mean behavior as well as the heterogeneity of the local mechanical variables. The first part of this work was dedicated to the modeling of the microstructure in 3D. To do this, we developed tools to generate random distributions of spheres, meshes and to characterize the morphology of the microstructure towards the finite element code Cast3M. A hundred of numerical samples of the composite were created. The second part was devoted to the characterization of the thermo-elastic behavior by the finite element modeling of the samples. We studied the influence of different modeling parameters, one of them is the boundary conditions. We proposed a method to vanish the boundary conditions effects from the computed solution by analyzing it on an internal sub-volume of the sample obtained by erosion. Then, we determined the effective properties (elastic moduli, thermal conductivity and thermal expansion) and the stress distribution within the matrix. Finally, in the third part we proposed a multi-scale modeling to determine the mean values and the variance and covariance of the local mechanical variables for any macroscopic load. This statistical approach have been used to estimate the intra-phase distribution of these variables in the composite material. (author)
SOMAR-LES: A framework for multi-scale modeling of turbulent stratified oceanic flows
Chalamalla, Vamsi K.; Santilli, Edward; Scotti, Alberto; Jalali, Masoud; Sarkar, Sutanu
2017-12-01
A new multi-scale modeling technique, SOMAR-LES, is presented in this paper. Localized grid refinement gives SOMAR (the Stratified Ocean Model with Adaptive Resolution) access to small scales of the flow which are normally inaccessible to general circulation models (GCMs). SOMAR-LES drives a LES (Large Eddy Simulation) on SOMAR's finest grids, forced with large scale forcing from the coarser grids. Three-dimensional simulations of internal tide generation, propagation and scattering are performed to demonstrate this multi-scale modeling technique. In the case of internal tide generation at a two-dimensional bathymetry, SOMAR-LES is able to balance the baroclinic energy budget and accurately model turbulence losses at only 10% of the computational cost required by a non-adaptive solver running at SOMAR-LES's fine grid resolution. This relative cost is significantly reduced in situations with intermittent turbulence or where the location of the turbulence is not known a priori because SOMAR-LES does not require persistent, global, high resolution. To illustrate this point, we consider a three-dimensional bathymetry with grids adaptively refined along the tidally generated internal waves to capture remote mixing in regions of wave focusing. The computational cost in this case is found to be nearly 25 times smaller than that of a non-adaptive solver at comparable resolution. In the final test case, we consider the scattering of a mode-1 internal wave at an isolated two-dimensional and three-dimensional topography, and we compare the results with Legg (2014) numerical experiments. We find good agreement with theoretical estimates. SOMAR-LES is less dissipative than the closure scheme employed by Legg (2014) near the bathymetry. Depending on the flow configuration and resolution employed, a reduction of more than an order of magnitude in computational costs is expected, relative to traditional existing solvers.
Evaluation of Validity and Reliability for Hierarchical Scales Using Latent Variable Modeling
Raykov, Tenko; Marcoulides, George A.
2012-01-01
A latent variable modeling method is outlined, which accomplishes estimation of criterion validity and reliability for a multicomponent measuring instrument with hierarchical structure. The approach provides point and interval estimates for the scale criterion validity and reliability coefficients, and can also be used for testing composite or…
Putwain, Dave; Deveney, Carolyn
2009-01-01
The aim of this study was to examine an expanded integrative hierarchical model of test emotions and achievement goal orientations in predicting the examination performance of undergraduate students. Achievement goals were theorised as mediating the relationship between test emotions and performance. 120 undergraduate students completed…
Fung, Karen; ElAtia, Samira
2015-01-01
Using Hierarchical Linear Modelling (HLM), this study aimed to identify factors such as ESL/ELL/EAL status that would predict students' reading performance in an English language arts exam taken across Canada. Using data from the 2007 administration of the Pan-Canadian Assessment Program (PCAP) along with the accompanying surveys for students and…
The Hierarchical Factor Model of ADHD: Invariant across Age and National Groupings?
Toplak, Maggie E.; Sorge, Geoff B.; Flora, David B.; Chen, Wai; Banaschewski, Tobias; Buitelaar, Jan; Ebstein, Richard; Eisenberg, Jacques; Franke, Barbara; Gill, Michael; Miranda, Ana; Oades, Robert D.; Roeyers, Herbert; Rothenberger, Aribert; Sergeant, Joseph; Sonuga-Barke, Edmund; Steinhausen, Hans-Christoph; Thompson, Margaret; Tannock, Rosemary; Asherson, Philip; Faraone, Stephen V.
2012-01-01
Objective: To examine the factor structure of attention-deficit/hyperactivity disorder (ADHD) in a clinical sample of 1,373 children and adolescents with ADHD and their 1,772 unselected siblings recruited from different countries across a large age range. Hierarchical and correlated factor analytic models were compared separately in the ADHD and…
Rademaker, Arthur R.; van Minnen, Agnes; Ebberink, Freek; van Zuiden, Mirjam; Hagenaars, Muriel A.; Geuze, Elbert
2012-01-01
As of yet, no collective agreement has been reached regarding the precise factor structure of posttraumatic stress disorder (PTSD). Several alternative factor-models have been proposed in the last decades. The current study examined the fit of a hierarchical adaptation of the Simms et al. (2002)
Hierarchical models for informing general biomass equations with felled tree data
Brian J. Clough; Matthew B. Russell; Christopher W. Woodall; Grant M. Domke; Philip J. Radtke
2015-01-01
We present a hierarchical framework that uses a large multispecies felled tree database to inform a set of general models for predicting tree foliage biomass, with accompanying uncertainty, within the FIA database. Results suggest significant prediction uncertainty for individual trees and reveal higher errors when predicting foliage biomass for larger trees and for...
Perfect observables for the hierarchical non-linear O(N)-invariant σ-model
International Nuclear Information System (INIS)
Wieczerkowski, C.; Xylander, Y.
1995-05-01
We compute moving eigenvalues and the eigenvectors of the linear renormalization group transformation for observables along the renormalized trajectory of the hierarchical non-linear O(N)-invariant σ-model by means of perturbation theory in the running coupling constant. Moving eigenvectors are defined as solutions to a Callan-Symanzik type equation. (orig.)
Raykov, Tenko
2011-01-01
Interval estimation of intraclass correlation coefficients in hierarchical designs is discussed within a latent variable modeling framework. A method accomplishing this aim is outlined, which is applicable in two-level studies where participants (or generally lower-order units) are clustered within higher-order units. The procedure can also be…
Robert S. Arkle; David S. Pilliod; Steven E. Hanser; Matthew L. Brooks; Jeanne C. Chambers; James B. Grace; Kevin C. Knutson; David A. Pyke; Justin L. Welty; Troy A. Wirth
2014-01-01
A recurrent challenge in the conservation of wide-ranging, imperiled species is understanding which habitats to protect and whether we are capable of restoring degraded landscapes. For Greater Sage-grouse (Centrocercus urophasianus), a species of conservation concern in the western United States, we approached this problem by developing multi-scale empirical models of...
Land-Atmosphere Coupling in the Multi-Scale Modelling Framework
Kraus, P. M.; Denning, S.
2015-12-01
The Multi-Scale Modeling Framework (MMF), in which cloud-resolving models (CRMs) are embedded within general circulation model (GCM) gridcells to serve as the model's cloud parameterization, has offered a number of benefits to GCM simulations. The coupling of these cloud-resolving models directly to land surface model instances, rather than passing averaged atmospheric variables to a single instance of a land surface model, the logical next step in model development, has recently been accomplished. This new configuration offers conspicuous improvements to estimates of precipitation and canopy through-fall, but overall the model exhibits warm surface temperature biases and low productivity.This work presents modifications to a land-surface model that take advantage of the new multi-scale modeling framework, and accommodate the change in spatial scale from a typical GCM range of ~200 km to the CRM grid-scale of 4 km.A parameterization is introduced to apportion modeled surface radiation into direct-beam and diffuse components. The diffuse component is then distributed among the land-surface model instances within each GCM cell domain. This substantially reduces the number excessively low light values provided to the land-surface model when cloudy conditions are modeled in the CRM, associated with its 1-D radiation scheme. The small spatial scale of the CRM, ~4 km, as compared with the typical ~200 km GCM scale, provides much more realistic estimates of precipitation intensity, this permits the elimination of a model parameterization of canopy through-fall. However, runoff at such scales can no longer be considered as an immediate flow to the ocean. Allowing sub-surface water flow between land-surface instances within the GCM domain affords better realism and also reduces temperature and productivity biases.The MMF affords a number of opportunities to land-surface modelers, providing both the advantages of direct simulation at the 4 km scale and a much reduced
Multi-scale modeling of urban air pollution: development of a Street-in-Grid model
Kim, Youngseob; Wu, You; Seigneur, Christian; Roustan, Yelva
2016-04-01
A new multi-scale model of urban air pollution is presented. This model combines a chemical-transport model (CTM) that includes a comprehensive treatment of atmospheric chemistry and transport at spatial scales greater than 1 km and a street-network model that describes the atmospheric concentrations of pollutants in an urban street network. The street-network model is based on the general formulation of the SIRANE model and consists of two main components: a street-canyon component and a street-intersection component. The street-canyon component calculates the mass transfer velocity at the top of the street canyon (roof top) and the mean wind velocity within the street canyon. The estimation of the mass transfer velocity depends on the intensity of the standard deviation of the vertical velocity at roof top. The effect of various formulations of this mass transfer velocity on the pollutant transport at roof-top level is examined. The street-intersection component calculates the mass transfer from a given street to other streets across the intersection. These mass transfer rates among the streets are calculated using the mean wind velocity calculated for each street and are balanced so that the total incoming flow rate is equal to the total outgoing flow rate from the intersection including the flow between the intersection and the overlying atmosphere at roof top. In the default option, the Leighton photostationary cycle among ozone (O3) and nitrogen oxides (NO and NO2) is used to represent the chemical reactions within the street network. However, the influence of volatile organic compounds (VOC) on the pollutant concentrations increases when the nitrogen oxides (NOx) concentrations are low. To account for the possible VOC influence on street-canyon chemistry, the CB05 chemical kinetic mechanism, which includes 35 VOC model species, is implemented in this street-network model. A sensitivity study is conducted to assess the uncertainties associated with the use of
Hosseini, Seyed Ali; Shah, Nilay
2011-04-06
There is a large body of literature regarding the choice and optimization of different processes for converting feedstock to bioethanol and bio-commodities; moreover, there has been some reasonable technological development in bioconversion methods over the past decade. However, the eventual cost and other important metrics relating to sustainability of biofuel production will be determined not only by the performance of the conversion process, but also by the performance of the entire supply chain from feedstock production to consumption. Moreover, in order to ensure world-class biorefinery performance, both the network and the individual components must be designed appropriately, and allocation of resources over the resulting infrastructure must effectively be performed. The goal of this work is to describe the key challenges in bioenergy supply chain modelling and then to develop a framework and methodology to show how multi-scale modelling can pave the way to answer holistic supply chain questions, such as the prospects for second generation bioenergy crops.
MEGAPOLI: concept of multi-scale modelling of megacity impact on air quality and climate
Baklanov, A.; Lawrence, M.; Pandis, S.; Mahura, A.; Finardi, S.; Moussiopoulos, N.; Beekmann, M.; Laj, P.; Gomes, L.; Jaffrezo, J.-L.; Borbon, A.; Coll, I.; Gros, V.; Sciare, J.; Kukkonen, J.; Galmarini, S.; Giorgi, F.; Grimmond, S.; Esau, I.; Stohl, A.; Denby, B.; Wagner, T.; Butler, T.; Baltensperger, U.; Builtjes, P.; van den Hout, D.; van der Gon, H. D.; Collins, B.; Schluenzen, H.; Kulmala, M.; Zilitinkevich, S.; Sokhi, R.; Friedrich, R.; Theloke, J.; Kummer, U.; Jalkinen, L.; Halenka, T.; Wiedensholer, A.; Pyle, J.; Rossow, W. B.
2010-11-01
The EU FP7 Project MEGAPOLI: "Megacities: Emissions, urban, regional and Global Atmospheric POLlution and climate effects, and Integrated tools for assessment and mitigation" (http://megapoli.info) brings together leading European research groups, state-of-the-art scientific tools and key players from non-European countries to investigate the interactions among megacities, air quality and climate. MEGAPOLI bridges the spatial and temporal scales that connect local emissions, air quality and weather with global atmospheric chemistry and climate. The suggested concept of multi-scale integrated modelling of megacity impact on air quality and climate and vice versa is discussed in the paper. It requires considering different spatial and temporal dimensions: time scales from seconds and hours (to understand the interaction mechanisms) up to years and decades (to consider the climate effects); spatial resolutions: with model down- and up-scaling from street- to global-scale; and two-way interactions between meteorological and chemical processes.
Uncertainty Quantification and Management for Multi-scale Nuclear Materials Modeling
International Nuclear Information System (INIS)
McDowell, David; Deo, Chaitanya; Zhu, Ting; Wang, Yan
2015-01-01
Understanding and improving microstructural mechanical stability in metals and alloys is central to the development of high strength and high ductility materials for cladding and cores structures in advanced fast reactors. Design and enhancement of radiation-induced damage tolerant alloys are facilitated by better understanding the connection of various unit processes to collective responses in a multiscale model chain, including: dislocation nucleation, absorption and desorption at interfaces; vacancy production, radiation-induced segregation of Cr and Ni at defect clusters (point defect sinks) in BCC Fe-Cr ferritic/martensitic steels; investigation of interaction of interstitials and vacancies with impurities (V, Nb, Ta, Mo, W, Al, Si, P, S); time evolution of swelling (cluster growth) phenomena of irradiated materials; and energetics and kinetics of dislocation bypass of defects formed by interstitial clustering and formation of prismatic loops, informing statistical models of continuum character with regard to processes of dislocation glide, vacancy agglomeration and swelling, climb and cross slip.
Multiscale multifractal DCCA and complexity behaviors of return intervals for Potts price model
Wang, Jie; Wang, Jun; Stanley, H. Eugene
2018-02-01
To investigate the characteristics of extreme events in financial markets and the corresponding return intervals among these events, we use a Potts dynamic system to construct a random financial time series model of the attitudes of market traders. We use multiscale multifractal detrended cross-correlation analysis (MM-DCCA) and Lempel-Ziv complexity (LZC) perform numerical research of the return intervals for two significant China's stock market indices and for the proposed model. The new MM-DCCA method is based on the Hurst surface and provides more interpretable cross-correlations of the dynamic mechanism between different return interval series. We scale the LZC method with different exponents to illustrate the complexity of return intervals in different scales. Empirical studies indicate that the proposed return intervals from the Potts system and the real stock market indices hold similar statistical properties.
Uncertainty Quantification and Management for Multi-scale Nuclear Materials Modeling
Energy Technology Data Exchange (ETDEWEB)
McDowell, David [Georgia Inst. of Technology, Atlanta, GA (United States); Deo, Chaitanya [Georgia Inst. of Technology, Atlanta, GA (United States); Zhu, Ting [Georgia Inst. of Technology, Atlanta, GA (United States); Wang, Yan [Georgia Inst. of Technology, Atlanta, GA (United States)
2015-10-21
Understanding and improving microstructural mechanical stability in metals and alloys is central to the development of high strength and high ductility materials for cladding and cores structures in advanced fast reactors. Design and enhancement of radiation-induced damage tolerant alloys are facilitated by better understanding the connection of various unit processes to collective responses in a multiscale model chain, including: dislocation nucleation, absorption and desorption at interfaces; vacancy production, radiation-induced segregation of Cr and Ni at defect clusters (point defect sinks) in BCC Fe-Cr ferritic/martensitic steels; investigation of interaction of interstitials and vacancies with impurities (V, Nb, Ta, Mo, W, Al, Si, P, S); time evolution of swelling (cluster growth) phenomena of irradiated materials; and energetics and kinetics of dislocation bypass of defects formed by interstitial clustering and formation of prismatic loops, informing statistical models of continuum character with regard to processes of dislocation glide, vacancy agglomeration and swelling, climb and cross slip.
An Analysis of Turkey's PISA 2015 Results Using Two-Level Hierarchical Linear Modelling
Atas, Dogu; Karadag, Özge
2017-01-01
In the field of education, most of the data collected are multi-level structured. Cities, city based schools, school based classes and finally students in the classrooms constitute a hierarchical structure. Hierarchical linear models give more accurate results compared to standard models when the data set has a structure going far as individuals,…
Małolepszy, Zbigniew; Szynkaruk, Ewa
2015-04-01
The multiscale static modeling of regional structure of the Lublin Basin is carried on in the Polish Geological Institute, in accordance with principles of integrated 3D geological modelling. The model is based on all available geospatial data from Polish digital databases and analogue archives. Mapped regional structure covers the area of 260x80 km located between Warsaw and Polish-Ukrainian border, along NW-SE-trending margin of the East European Craton. Within the basin, the Paleozoic beds with coalbearing Carboniferous and older formations containing hydrocarbons and unconventional prospects are covered unconformably by Permo-Mesozoic and younger rocks. Vertical extent of the regional model is set from topographic surface to 6000 m ssl and at the bottom includes some Proterozoic crystalline formations of the craton. The project focuses on internal consistency of the models built at different scales - from basin (small) scale to field-scale (large-scale). The models, nested in the common structural framework, are being constructed with regional geological knowledge, ensuring smooth transition in the 3D model resolution and amount of geological detail. Major challenge of the multiscale approach to subsurface modelling is the assessment and consistent quantification of various types of geological uncertainties tied to those various scale sub-models. Decreasing amount of information with depth and, particularly, very limited data collected below exploration targets, as well as accuracy and quality of data, all have the most critical impact on the modelled structure. In deeper levels of the Lublin Basin model, seismic interpretation of 2D surveys is sparsely tied to well data. Therefore time-to-depth conversion carries one of the major uncertainties in the modeling of structures, especially below 3000 m ssl. Furthermore, as all models at different scales are based on the same dataset, we must deal with different levels of generalization of geological structures. The
International Nuclear Information System (INIS)
Montgomery, David W. G.; Amira, Abbes; Zaidi, Habib
2007-01-01
The widespread application of positron emission tomography (PET) in clinical oncology has driven this imaging technology into a number of new research and clinical arenas. Increasing numbers of patient scans have led to an urgent need for efficient data handling and the development of new image analysis techniques to aid clinicians in the diagnosis of disease and planning of treatment. Automatic quantitative assessment of metabolic PET data is attractive and will certainly revolutionize the practice of functional imaging since it can lower variability across institutions and may enhance the consistency of image interpretation independent of reader experience. In this paper, a novel automated system for the segmentation of oncological PET data aiming at providing an accurate quantitative analysis tool is proposed. The initial step involves expectation maximization (EM)-based mixture modeling using a k-means clustering procedure, which varies voxel order for initialization. A multiscale Markov model is then used to refine this segmentation by modeling spatial correlations between neighboring image voxels. An experimental study using an anthropomorphic thorax phantom was conducted for quantitative evaluation of the performance of the proposed segmentation algorithm. The comparison of actual tumor volumes to the volumes calculated using different segmentation methodologies including standard k-means, spatial domain Markov Random Field Model (MRFM), and the new multiscale MRFM proposed in this paper showed that the latter dramatically reduces the relative error to less than 8% for small lesions (7 mm radii) and less than 3.5% for larger lesions (9 mm radii). The analysis of the resulting segmentations of clinical oncologic PET data seems to confirm that this methodology shows promise and can successfully segment patient lesions. For problematic images, this technique enables the identification of tumors situated very close to nearby high normal physiologic uptake. The
Directory of Open Access Journals (Sweden)
J. P. Werner
2015-03-01
Full Text Available Reconstructions of the late-Holocene climate rely heavily upon proxies that are assumed to be accurately dated by layer counting, such as measurements of tree rings, ice cores, and varved lake sediments. Considerable advances could be achieved if time-uncertain proxies were able to be included within these multiproxy reconstructions, and if time uncertainties were recognized and correctly modeled for proxies commonly treated as free of age model errors. Current approaches for accounting for time uncertainty are generally limited to repeating the reconstruction using each one of an ensemble of age models, thereby inflating the final estimated uncertainty – in effect, each possible age model is given equal weighting. Uncertainties can be reduced by exploiting the inferred space–time covariance structure of the climate to re-weight the possible age models. Here, we demonstrate how Bayesian hierarchical climate reconstruction models can be augmented to account for time-uncertain proxies. Critically, although a priori all age models are given equal probability of being correct, the probabilities associated with the age models are formally updated within the Bayesian framework, thereby reducing uncertainties. Numerical experiments show that updating the age model probabilities decreases uncertainty in the resulting reconstructions, as compared with the current de facto standard of sampling over all age models, provided there is sufficient information from other data sources in the spatial region of the time-uncertain proxy. This approach can readily be generalized to non-layer-counted proxies, such as those derived from marine sediments.
Bayesian data assimilation for stochastic multiscale models of transport in porous media.
Energy Technology Data Exchange (ETDEWEB)
Marzouk, Youssef M. (Massachusetts Institute of Technology, Cambridge, MA); van Bloemen Waanders, Bart Gustaaf (Sandia National Laboratories, Albuquerque NM); Parno, Matthew (Massachusetts Institute of Technology, Cambridge, MA); Ray, Jaideep; Lefantzi, Sophia; Salazar, Luke (Sandia National Laboratories, Albuquerque NM); McKenna, Sean Andrew (Sandia National Laboratories, Albuquerque NM); Klise, Katherine A. (Sandia National Laboratories, Albuquerque NM)
2011-10-01
We investigate Bayesian techniques that can be used to reconstruct field variables from partial observations. In particular, we target fields that exhibit spatial structures with a large spectrum of lengthscales. Contemporary methods typically describe the field on a grid and estimate structures which can be resolved by it. In contrast, we address the reconstruction of grid-resolved structures as well as estimation of statistical summaries of subgrid structures, which are smaller than the grid resolution. We perform this in two different ways (a) via a physical (phenomenological), parameterized subgrid model that summarizes the impact of the unresolved scales at the coarse level and (b) via multiscale finite elements, where specially designed prolongation and restriction operators establish the interscale link between the same problem defined on a coarse and fine mesh. The estimation problem is posed as a Bayesian inverse problem. Dimensionality reduction is performed by projecting the field to be inferred on a suitable orthogonal basis set, viz. the Karhunen-Loeve expansion of a multiGaussian. We first demonstrate our techniques on the reconstruction of a binary medium consisting of a matrix with embedded inclusions, which are too small to be grid-resolved. The reconstruction is performed using an adaptive Markov chain Monte Carlo method. We find that the posterior distributions of the inferred parameters are approximately Gaussian. We exploit this finding to reconstruct a permeability field with long, but narrow embedded fractures (which are too fine to be grid-resolved) using scalable ensemble Kalman filters; this also allows us to address larger grids. Ensemble Kalman filtering is then used to estimate the values of hydraulic conductivity and specific yield in a model of the High Plains Aquifer in Kansas. Strong conditioning of the spatial structure of the parameters and the non-linear aspects of the water table aquifer create difficulty for the ensemble Kalman
A hierarchical causal modeling for large industrial plants supervision
International Nuclear Information System (INIS)
Dziopa, P.; Leyval, L.
1994-01-01
A supervision system has to analyse the process current state and the way it will evolve after a modification of the inputs or disturbance. It is proposed to base this analysis on a hierarchy of models, witch differ by the number of involved variables and the abstraction level used to describe their temporal evolution. In a first step, special attention is paid to causal models building, from the most abstract one. Once the hierarchy of models has been build, the most detailed model parameters are estimated. Several models of different abstraction levels can be used for on line prediction. These methods have been applied to a nuclear reprocessing plant. The abstraction level could be chosen on line by the operator. Moreover when an abnormal process behaviour is detected a more detailed model is automatically triggered in order to focus the operator attention on the suspected subsystem. (authors). 11 refs., 11 figs