Multiscale Cancer Modeling

Science.gov (United States)

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

Multiscale Computing with the Multiscale Modeling Library and Runtime Environment

NARCIS (Netherlands)

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

2013-01-01

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

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

Science.gov (United States)

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

2015-01-01

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

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

Science.gov (United States)

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

2015-01-01

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

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

Energy Technology Data Exchange (ETDEWEB)

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

2015-09-01

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

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

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 Signal Analysis and Modeling

CERN Document Server

Zayed, Ahmed

2013-01-01

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

The efficiency of average linkage hierarchical clustering algorithm associated multi-scale bootstrap resampling in identifying homogeneous precipitation catchments

Science.gov (United States)

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.

How can we predict microstructural changes caused by the multiscale irradiation process occurred in materials having complicated and hierarchical structures?

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 Factor Analysis of High-Dimensional Brain Signals

KAUST Repository

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

A distributed multiscale computation of a tightly coupled model using the Multiscale Modeling Language

NARCIS (Netherlands)

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

Hierarchical assembly strategy and multiscale structural origin of exceptional mechanical performance in nacre

Science.gov (United States)

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

Hierarchical multi-scale classification of nearshore aquatic habitats of the Great Lakes: Western Lake Erie

Science.gov (United States)

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.

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)

Multiscale crystal defect dynamics: A coarse-grained lattice defect model based on crystal microstructure

Science.gov (United States)

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.

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.

Fast Multiscale Reservoir Simulations using POD-DEIM Model Reduction

KAUST Repository

Ghasemi, Mohammadreza

2015-02-23

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

Application of hierarchical matrices for partial inverse

KAUST Repository

Litvinenko, Alexander

2013-11-26

In this work we combine hierarchical matrix techniques (Hackbusch, 1999) and domain decomposition methods to obtain fast and efficient algorithms for the solution of multiscale problems. This combination results in the hierarchical domain decomposition (HDD) method, which can be applied for solution multi-scale problems. Multiscale problems are problems that require the use of different length scales. Using only the finest scale is very expensive, if not impossible, in computational time and memory. Domain decomposition methods decompose the complete problem into smaller systems of equations corresponding to boundary value problems in subdomains. Then fast solvers can be applied to each subdomain. Subproblems in subdomains are independent, much smaller and require less computational resources as the initial problem.

An approach to multiscale modelling with graph grammars.

Science.gov (United States)

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.

Multiscale modelling in immunology: a review.

Science.gov (United States)

Cappuccio, Antonio; Tieri, Paolo; Castiglione, Filippo

2016-05-01

One of the greatest challenges in biomedicine is to get a unified view of observations made from the molecular up to the organism scale. Towards this goal, multiscale models have been highly instrumental in contexts such as the cardiovascular field, angiogenesis, neurosciences and tumour biology. More recently, such models are becoming an increasingly important resource to address immunological questions as well. Systematic mining of the literature in multiscale modelling led us to identify three main fields of immunological applications: host-virus interactions, inflammatory diseases and their treatment and development of multiscale simulation platforms for immunological research and for educational purposes. Here, we review the current developments in these directions, which illustrate that multiscale models can consistently integrate immunological data generated at several scales, and can be used to describe and optimize therapeutic treatments of complex immune diseases. © The Author 2015. Published by Oxford University Press. For Permissions, please email: journals.permissions@oup.com.

Synergy of multi-scale toughening and protective mechanisms at hierarchical branch-stem interfaces

Science.gov (United States)

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.

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

Multiscale Model Reduction with Generalized Multiscale Finite Element Methods in Geomathematics

KAUST Repository

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

KAUST Repository

Efendiev, Yalchin R.

2015-09-02

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

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

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.

Novel Multiscale Modeling Tool Applied to Pseudomonas aeruginosa Biofilm Formation

OpenAIRE

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...

Microphysics in Multi-scale Modeling System with Unified Physics

Science.gov (United States)

Tao, Wei-Kuo

2012-01-01

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

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.

Process-based modelling of tree and stand growth: towards a hierarchical treatment of multiscale processes

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)

Multiscale modeling in biomechanics and mechanobiology

CERN Document Server

Hwang, Wonmuk; Kuhl, Ellen

2015-01-01

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

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.

A complete categorization of multiscale models of infectious disease systems.

Science.gov (United States)

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.

Multiscale modeling of mucosal immune responses

Science.gov (United States)

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.

Science.gov (United States)

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

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.

Science.gov (United States)

Biggs, Matthew B; Papin, Jason A

2013-01-01

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

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.

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)

Bioinspired Omnidirectional Self-Stable Reflectors with Multiscale Hierarchical Structures.

Science.gov (United States)

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.

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.

Correlation Between Hierarchical Bayesian and Aerosol Optical Depth PM2.5 Data and Respiratory-Cardiovascular Chronic Diseases

Science.gov (United States)

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, ...

Hierarchical cellular designs for load-bearing biocomposite beams and plates

International Nuclear Information System (INIS)

Burgueno, Rigoberto; Quagliata, Mario J.; Mohanty, Amar K.; Mehta, Geeta; Drzal, Lawrence T.; Misra, Manjusri

2005-01-01

Scrutiny into the composition of natural, or biological materials convincingly reveals that high material and structural efficiency can be attained, even with moderate-quality constituents, by hierarchical topologies, i.e., successively organized material levels or layers. The present study demonstrates that biologically inspired hierarchical designs can help improve the moderate properties of natural fiber polymer composites or biocomposites and allow them to compete with conventional materials for load-bearing applications. An overview of the mechanics concepts that allow hierarchical designs to achieve higher performance is presented, followed by observation and results from flexural tests on periodic and hierarchical cellular beams and plates made from industrial hemp fibers and unsaturated polyester resin biocomposites. The experimental data is shown to agree well with performance indices predicted by mechanics models. A procedure for the multi-scale integrated material/structural analysis of hierarchical cellular biocomposite components is presented and its advantages and limitations are discussed

Community effort endorsing multiscale modelling, multiscale data science and multiscale computing for systems medicine.

Science.gov (United States)

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.

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.

Differential geometry based multiscale models.

Science.gov (United States)

Wei, Guo-Wei

2010-08-01

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

Differential Geometry Based Multiscale Models

Science.gov (United States)

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

Multi-Scale Factor Analysis of High-Dimensional Brain Signals

KAUST Repository

Ting, Chee-Ming

2017-05-18

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 spatio-temporal data defined over the complex networks into a finite set of regional clusters. To achieve further dimension reduction, we represent the signals in each cluster by a small number of latent factors. The correlation matrix for all nodes in the network are approximated by lower-dimensional sub-structures derived from the cluster-specific factors. To estimate regional connectivity between numerous nodes (within each cluster), we apply principal components analysis (PCA) to produce factors which are derived as the optimal reconstruction of the observed signals under the squared loss. Then, we estimate global connectivity (between clusters or sub-networks) based on the factors across regions using the RV-coefficient as the cross-dependence measure. This gives a reliable and computationally efficient multi-scale analysis of both regional and global dependencies of the large networks. The proposed novel approach is applied to estimate brain connectivity networks using functional magnetic resonance imaging (fMRI) data. Results on resting-state fMRI reveal interesting modular and hierarchical organization of human brain networks during rest.

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.

Distributed multiscale computing

NARCIS (Netherlands)

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

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...

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...

Efficient algorithms for multiscale modeling in porous media

KAUST Repository

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

KAUST Repository

Wheeler, Mary F.

2010-09-26

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

Bio-inspired configurable multiscale extracellular matrix-like structures for functional alignment and guided orientation of cells.

Science.gov (United States)

Bae, Won-Gyu; Kim, Jangho; Choung, Yun-Hoon; Chung, Yesol; Suh, Kahp Y; Pang, Changhyun; Chung, Jong Hoon; Jeong, Hoon Eui

2015-11-01

Inspired by the hierarchically organized protein fibers in extracellular matrix (ECM) as well as the physiological importance of multiscale topography, we developed a simple but robust method for the design and manipulation of precisely controllable multiscale hierarchical structures using capillary force lithography in combination with an original wrinkling technique. In this study, based on our proposed fabrication technology, we approached a conceptual platform that can mimic the hierarchically multiscale topographical and orientation cues of the ECM for controlling cell structure and function. We patterned the polyurethane acrylate-based nanotopography with various orientations on the microgrooves, which could provide multiscale topography signals of ECM to control single and multicellular morphology and orientation with precision. Using our platforms, we found that the structures and orientations of fibroblast cells were greatly influenced by the nanotopography, rather than the microtopography. We also proposed a new approach that enables the generation of native ECM having nanofibers in specific three-dimensional (3D) configurations by culturing fibroblast cells on the multiscale substrata. We suggest that our methodology could be used as efficient strategies for the design and manipulation of various functional platforms, including well-defined 3D tissue structures for advanced regenerative medicine applications. Copyright © 2015 Elsevier Ltd. All rights reserved.

Multiscale geometric modeling of macromolecules II: Lagrangian representation

Science.gov (United States)

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

A fault diagnosis scheme for planetary gearboxes using adaptive multi-scale morphology filter and modified hierarchical permutation entropy

Science.gov (United States)

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 Carbon Fiber Reinforced Polymer (CFRP) for Integrated Computational Materials Engineering Process

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.

Learning with hierarchical-deep models.

Science.gov (United States)

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.

Multi-scale modeling of diffusion-controlled reactions in polymers: renormalisation of reactivity parameters.

Science.gov (United States)

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.

Unified Modeling Language description of the object-oriented multi-scale adaptive finite element method for Step-and-Flash Imprint Lithography Simulations

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.

Multiscale Modeling of Ceramic Matrix Composites

Science.gov (United States)

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

2015-01-01

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

Multiscale Modeling of Poromechanics in Geologic Media

Science.gov (United States)

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.

Multiscale modelling for tokamak pedestals

Science.gov (United States)

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.

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 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.

A multiscale dataset for understanding complex eco-hydrological processes in a heterogeneous oasis system

OpenAIRE

Li, Xin; Liu, Shaomin; Xiao, Qin; Ma, Mingguo; Jin, Rui; Che, Tao; Wang, Weizhen; Hu, Xiaoli; Xu, Ziwei; Wen, Jianguang; Wang, Liangxu

2017-01-01

We introduce a multiscale dataset obtained from Heihe Watershed Allied Telemetry Experimental Research (HiWATER) in an oasis-desert area in 2012. Upscaling of eco-hydrological processes on a heterogeneous surface is a grand challenge. Progress in this field is hindered by the poor availability of multiscale observations. HiWATER is an experiment designed to address this challenge through instrumentation on hierarchically nested scales to obtain multiscale and multidisciplinary data. The HiWAT...

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...

Global sensitivity analysis of multiscale properties of porous materials

Science.gov (United States)

Um, Kimoon; Zhang, Xuan; Katsoulakis, Markos; Plechac, Petr; Tartakovsky, Daniel M.

2018-02-01

Ubiquitous uncertainty about pore geometry inevitably undermines the veracity of pore- and multi-scale simulations of transport phenomena in porous media. It raises two fundamental issues: sensitivity of effective material properties to pore-scale parameters and statistical parameterization of Darcy-scale models that accounts for pore-scale uncertainty. Homogenization-based maps of pore-scale parameters onto their Darcy-scale counterparts facilitate both sensitivity analysis (SA) and uncertainty quantification. We treat uncertain geometric characteristics of a hierarchical porous medium as random variables to conduct global SA and to derive probabilistic descriptors of effective diffusion coefficients and effective sorption rate. Our analysis is formulated in terms of solute transport diffusing through a fluid-filled pore space, while sorbing to the solid matrix. Yet it is sufficiently general to be applied to other multiscale porous media phenomena that are amenable to homogenization.

Multiscale model reduction for shale gas transport in fractured media

KAUST Repository

Akkutlu, I. Y.

2016-05-18

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

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...

Quantifying the Hierarchical Order in Self-Aligned Carbon Nanotubes from Atomic to Micrometer Scale.

Science.gov (United States)

Meshot, Eric R; Zwissler, Darwin W; Bui, Ngoc; Kuykendall, Tevye R; Wang, Cheng; Hexemer, Alexander; Wu, Kuang Jen J; Fornasiero, Francesco

2017-06-27

Fundamental understanding of structure-property relationships in hierarchically organized nanostructures is crucial for the development of new functionality, yet quantifying structure across multiple length scales is challenging. In this work, we used nondestructive X-ray scattering to quantitatively map the multiscale structure of hierarchically self-organized carbon nanotube (CNT) "forests" across 4 orders of magnitude in length scale, from 2.0 Å to 1.5 μm. Fully resolved structural features include the graphitic honeycomb lattice and interlayer walls (atomic), CNT diameter (nano), as well as the greater CNT ensemble (meso) and large corrugations (micro). Correlating orientational order across hierarchical levels revealed a cascading decrease as we probed finer structural feature sizes with enhanced sensitivity to small-scale disorder. Furthermore, we established qualitative relationships for single-, few-, and multiwall CNT forest characteristics, showing that multiscale orientational order is directly correlated with number density spanning 10 9 -10 12 cm -2 , yet order is inversely proportional to CNT diameter, number of walls, and atomic defects. Lastly, we captured and quantified ultralow-q meridional scattering features and built a phenomenological model of the large-scale CNT forest morphology, which predicted and confirmed that these features arise due to microscale corrugations along the vertical forest direction. Providing detailed structural information at multiple length scales is important for design and synthesis of CNT materials as well as other hierarchically organized nanostructures.

Predictive multiscale computational model of shoe-floor coefficient of friction.

Science.gov (United States)

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.

Genetic divergence among cupuaçu accessions by multiscale bootstrap resampling

Directory of Open Access Journals (Sweden)

Vinicius Silva dos Santos

2015-06-01

Full Text Available This study aimed at investigating the genetic divergence of eighteen accessions of cupuaçu trees based on fruit morphometric traits and comparing usual methods of cluster analysis with the proposed multiscale bootstrap resampling methodology. The data were obtained from an experiment conducted in Tomé-Açu city (PA, Brazil, arranged in a completely randomized design with eighteen cupuaçu accessions and 10 repetitions, from 2004 to 2011. Genetic parameters were estimated by restricted maximum likelihood/best linear unbiased prediction (REML/BLUP methodology. The predicted breeding values were used in the study on genetic divergence through Unweighted Pair Cluster Method with Arithmetic Mean (UPGMA hierarchical clustering and Tocher’s optimization method based on standardized Euclidean distance. Clustering consistency and optimal number of clusters in the UPGMA method were verified by the cophenetic correlation coefficient (CCC and Mojena’s criterion, respectively, besides the multiscale bootstrap resampling technique. The use of the clustering UPGMA method in situations with and without multiscale bootstrap resulted in four and five clusters, respectively, while the Tocher’s method resulted in seven clusters. The multiscale bootstrap resampling technique proves to be efficient to assess the consistency of clustering in hierarchical methods and, consequently, the optimal number of clusters.

Multiscale Modeling of Carbon Nanotube-Epoxy Nanocomposites

Science.gov (United States)

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

A high-order multiscale finite-element method for time-domain acoustic-wave modeling

Science.gov (United States)

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.

Hierarchical species distribution models

Science.gov (United States)

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.

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...

Rough Set Approach to Incomplete Multiscale Information System

Science.gov (United States)

Yang, Xibei; Qi, Yong; Yu, Dongjun; Yu, Hualong; Song, Xiaoning; Yang, Jingyu

2014-01-01

Multiscale information system is a new knowledge representation system for expressing the knowledge with different levels of granulations. In this paper, by considering the unknown values, which can be seen everywhere in real world applications, the incomplete multiscale information system is firstly investigated. The descriptor technique is employed to construct rough sets at different scales for analyzing the hierarchically structured data. The problem of unravelling decision rules at different scales is also addressed. Finally, the reduct descriptors are formulated to simplify decision rules, which can be derived from different scales. Some numerical examples are employed to substantiate the conceptual arguments. PMID:25276852

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

Science.gov (United States)

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

2014-01-01

The use of multi-scale mathematical and computational models to study complex biological processes is becoming increasingly productive. Multi-scale models span a range of spatial and/or temporal scales and can encompass multi-compartment (e.g., multi-organ) models. Modeling advances are enabling virtual experiments to explore and answer questions that are problematic to address in the wet-lab. Wet-lab experimental technologies now allow scientists to observe, measure, record, and analyze experiments focusing on different system aspects at a variety of biological scales. We need the technical ability to mirror that same flexibility in virtual experiments using multi-scale models. Here we present a new approach, tuneable resolution, which can begin providing that flexibility. Tuneable resolution involves fine- or coarse-graining existing multi-scale models at the user's discretion, allowing adjustment of the level of resolution specific to a question, an experiment, or a scale of interest. Tuneable resolution expands options for revising and validating mechanistic multi-scale models, can extend the longevity of multi-scale models, and may increase computational efficiency. The tuneable resolution approach can be applied to many model types, including differential equation, agent-based, and hybrid models. We demonstrate our tuneable resolution ideas with examples relevant to infectious disease modeling, illustrating key principles at work. © 2014 The Authors. WIREs Systems Biology and Medicine published by Wiley Periodicals, Inc.

Hierarchical modeling and analysis for spatial data

CERN Document Server

Banerjee, Sudipto; Gelfand, Alan E

2003-01-01

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

A Generalized Hybrid Multiscale Modeling Approach for Flow and Reactive Transport in Porous Media

Science.gov (United States)

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.

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.

Bayesian nonparametric hierarchical modeling.

Science.gov (United States)

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.

A Multi-scale Modeling System with Unified Physics to Study Precipitation Processes

Science.gov (United States)

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.

A Facile Method to Fabricate Anisotropic Hydrogels with Perfectly Aligned Hierarchical Fibrous Structures.

Science.gov (United States)

Mredha, Md Tariful Islam; Guo, Yun Zhou; Nonoyama, Takayuki; Nakajima, Tasuku; Kurokawa, Takayuki; Gong, Jian Ping

2018-03-01

Natural structural materials (such as tendons and ligaments) are comprised of multiscale hierarchical architectures, with dimensions ranging from nano- to macroscale, which are difficult to mimic synthetically. Here a bioinspired, facile method to fabricate anisotropic hydrogels with perfectly aligned multiscale hierarchical fibrous structures similar to those of tendons and ligaments is reported. The method includes drying a diluted physical hydrogel in air by confining its length direction. During this process, sufficiently high tensile stress is built along the length direction to align the polymer chains and multiscale fibrous structures (from nano- to submicro- to microscale) are spontaneously formed in the bulk material, which are well-retained in the reswollen gel. The method is useful for relatively rigid polymers (such as alginate and cellulose), which are susceptible to mechanical signal. By controlling the drying with or without prestretching, the degree of alignment, size of superstructures, and the strength of supramolecular interactions can be tuned, which sensitively influence the strength and toughness of the hydrogels. The mechanical properties are comparable with those of natural ligaments. This study provides a general strategy for designing hydrogels with highly ordered hierarchical structures, which opens routes for the development of many functional biomimetic materials for biomedical applications. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Analysis hierarchical model for discrete event systems

Science.gov (United States)

Ciortea, E. M.

2015-11-01

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

Foundations for a multiscale collaborative Earth model

KAUST Repository

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 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.

Multiscale agent-based cancer modeling.

Science.gov (United States)

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.

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...

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.

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

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.

Multi-Scale Modelling of Deformation and Fracture in a Biomimetic Apatite-Protein Composite: Molecular-Scale Processes Lead to Resilience at the μm-Scale.

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.

Hierarchical Bayesian Modeling of Fluid-Induced Seismicity

Science.gov (United States)

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.

Multiscale modelling approaches for assessing cosmetic ingredients safety.

Science.gov (United States)

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 rate-dependent multi-scale crack model for concrete

NARCIS (Netherlands)

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

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

Energy Technology Data Exchange (ETDEWEB)

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

2016-04-01

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

Multiscale modeling of complex materials phenomenological, theoretical and computational aspects

CERN Document Server

Trovalusci, Patrizia

2014-01-01

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

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.

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

Hierarchical Bayesian modelling of mobility metrics for hazard model input calibration

Science.gov (United States)

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.

Hierarchical Context Modeling for Video Event Recognition.

Science.gov (United States)

Wang, Xiaoyang; Ji, Qiang

2016-10-11

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

Numerical Simulations of a Multiscale Model of Stratified Langmuir Circulation

Science.gov (United States)

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.

Multi-scale modeling for sustainable chemical production.

Science.gov (United States)

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.

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 ...

Variational multiscale models for charge transport.

Science.gov (United States)

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

2012-01-01

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

Variational multiscale models for charge transport

Science.gov (United States)

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

2012-01-01

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

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...

Time-Varying, Multi-Scale Adaptive System Reliability Analysis of Lifeline Infrastructure Networks

Energy Technology Data Exchange (ETDEWEB)

Gearhart, Jared Lee [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Kurtz, Nolan Scot [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

2014-09-01

The majority of current societal and economic needs world-wide are met by the existing networked, civil infrastructure. Because the cost of managing such infrastructure is high and increases with time, risk-informed decision making is essential for those with management responsibilities for these systems. To address such concerns, a methodology that accounts for new information, deterioration, component models, component importance, group importance, network reliability, hierarchical structure organization, and efficiency concerns has been developed. This methodology analyzes the use of new information through the lens of adaptive Importance Sampling for structural reliability problems. Deterioration, multi-scale bridge models, and time-variant component importance are investigated for a specific network. Furthermore, both bridge and pipeline networks are studied for group and component importance, as well as for hierarchical structures in the context of specific networks. Efficiency is the primary driver throughout this study. With this risk-informed approach, those responsible for management can address deteriorating infrastructure networks in an organized manner.

Self-consistent clustering analysis: an efficient multiscale scheme for inelastic heterogeneous materials

Energy Technology Data Exchange (ETDEWEB)

Liu, Z.; Bessa, M. A.; Liu, W.K.

2017-10-25

A predictive computational theory is shown for modeling complex, hierarchical materials ranging from metal alloys to polymer nanocomposites. The theory can capture complex mechanisms such as plasticity and failure that span across multiple length scales. This general multiscale material modeling theory relies on sound principles of mathematics and mechanics, and a cutting-edge reduced order modeling method named self-consistent clustering analysis (SCA) [Zeliang Liu, M.A. Bessa, Wing Kam Liu, “Self-consistent clustering analysis: An efficient multi-scale scheme for inelastic heterogeneous materials,” Comput. Methods Appl. Mech. Engrg. 306 (2016) 319–341]. SCA reduces by several orders of magnitude the computational cost of micromechanical and concurrent multiscale simulations, while retaining the microstructure information. This remarkable increase in efficiency is achieved with a data-driven clustering method. Computationally expensive operations are performed in the so-called offline stage, where degrees of freedom (DOFs) are agglomerated into clusters. The interaction tensor of these clusters is computed. In the online or predictive stage, the Lippmann-Schwinger integral equation is solved cluster-wise using a self-consistent scheme to ensure solution accuracy and avoid path dependence. To construct a concurrent multiscale model, this scheme is applied at each material point in a macroscale structure, replacing a conventional constitutive model with the average response computed from the microscale model using just the SCA online stage. A regularized damage theory is incorporated in the microscale that avoids the mesh and RVE size dependence that commonly plagues microscale damage calculations. The SCA method is illustrated with two cases: a carbon fiber reinforced polymer (CFRP) structure with the concurrent multiscale model and an application to fatigue prediction for additively manufactured metals. For the CFRP problem, a speed up estimated to be about

A Liver-centric Multiscale Modeling Framework for Xenobiotics

Science.gov (United States)

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

Using Multi-Scale Modeling Systems and Satellite Data to Study the Precipitation Processes

Science.gov (United States)

Tao, Wei-Kuo; Chern, J.; Lamg, S.; Matsui, T.; Shen, B.; Zeng, X.; Shi, R.

2011-01-01

In recent years, exponentially increasing computer power has extended Cloud Resolving Model (CRM) integrations from hours to months, the number of computational grid points from less than a thousand to close to ten million. Three-dimensional models are now more prevalent. Much attention is devoted to precipitating cloud systems where the crucial 1-km scales are resolved in horizontal domains as large as 10,000 km in two-dimensions, and 1,000 x 1,000 km2 in three-dimensions. Cloud resolving models now provide statistical information useful for developing more realistic physically based parameterizations for climate models and numerical weather prediction models. It is also expected that NWP and mesoscale model can be run in grid size similar to cloud resolving model through nesting technique. Recently, a multi-scale modeling system with unified physics was developed at NASA Goddard. It consists of (l) a cloud-resolving model (Goddard Cumulus Ensemble model, GCE model), (2) a regional scale model (a NASA unified weather research and forecast, WRF), (3) a coupled CRM and global model (Goddard Multi-scale Modeling Framework, MMF), and (4) a land modeling system. The same microphysical processes, long and short wave radiative transfer and land processes and the explicit cloud-radiation, and cloud-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

Multiscale Shannon's Entropy Modeling of Orientation and Distance in Steel Fiber Micro-Tomography Data.

Science.gov (United States)

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.

Multiscale network model for simulating liquid water and water vapour transfer properties of porous materials

NARCIS (Netherlands)

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

What are hierarchical models and how do we analyze them?

Science.gov (United States)

Royle, Andy

2016-01-01

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

Advances in Applications of Hierarchical Bayesian Methods with Hydrological Models

Science.gov (United States)

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

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)

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

Advanced computational workflow for the multi-scale modeling of the bone metabolic processes.

Science.gov (United States)

Dao, Tien Tuan

2017-06-01

Multi-scale modeling of the musculoskeletal system plays an essential role in the deep understanding of complex mechanisms underlying the biological phenomena and processes such as bone metabolic processes. Current multi-scale models suffer from the isolation of sub-models at each anatomical scale. The objective of this present work was to develop a new fully integrated computational workflow for simulating bone metabolic processes at multi-scale levels. Organ-level model employs multi-body dynamics to estimate body boundary and loading conditions from body kinematics. Tissue-level model uses finite element method to estimate the tissue deformation and mechanical loading under body loading conditions. Finally, cell-level model includes bone remodeling mechanism through an agent-based simulation under tissue loading. A case study on the bone remodeling process located on the human jaw was performed and presented. The developed multi-scale model of the human jaw was validated using the literature-based data at each anatomical level. Simulation outcomes fall within the literature-based ranges of values for estimated muscle force, tissue loading and cell dynamics during bone remodeling process. This study opens perspectives for accurately simulating bone metabolic processes using a fully integrated computational workflow leading to a better understanding of the musculoskeletal system function from multiple length scales as well as to provide new informative data for clinical decision support and industrial applications.

Multiscale modeling of the effect of carbon nanotube orientation on the shear deformation properties of reinforced polymer-based composites

Energy Technology Data Exchange (ETDEWEB)

Montazeri, A. [Institute for Nano-Science and Technology, Sharif University of Technology, Tehran (Iran, Islamic Republic of); Computational Physical Sciences Research Laboratory, School of Nano-Science, Institute for Research in Fundamental Sciences (IPM), Tehran (Iran, Islamic Republic of); Sadeghi, M. [Institute for Nano-Science and Technology, Sharif University of Technology, Tehran (Iran, Islamic Republic of); Naghdabadi, R., E-mail: naghdabd@sharif.ed [Institute for Nano-Science and Technology, Sharif University of Technology, Tehran (Iran, Islamic Republic of); Department of Mechanical Engineering, Sharif University of Technology, Tehran (Iran, Islamic Republic of); Rafii-Tabar, H. [Computational Physical Sciences Research Laboratory, School of Nano-Science, Institute for Research in Fundamental Sciences (IPM), Tehran (Iran, Islamic Republic of); Department of Medical Physics and Biomedical Engineering, and Research Centre for Medical Nanotechnology and Tissue Engineering, Shahid Beheshti University of Medical Sciences, Evin, Tehran (Iran, Islamic Republic of)

2011-04-04

A combination of molecular dynamics (MD), continuum elasticity and FEM is used to predict the effect of CNT orientation on the shear modulus of SWCNT-polymer nanocomposites. We first develop a transverse-isotropic elastic model of SWCNTs based on the continuum elasticity and MD to compute the transverse-isotropic elastic constants of SWCNTs. These constants are then used in an FEM-based simulation to investigate the effect of SWCNT alignment on the shear modulus of nanocomposites. Furthermore, shear stress distributions along the nanotube axis and over its cross-sectional area are investigated to study the effect of CNT orientation on the shear load transfer. - Highlights: A transverse-isotropic elastic model of SWCNTs is presented. A hierarchical MD/FEM multiscale model of SWCNT-polymer composites is developed. Behavior of these nanocomposites under shear deformation is studied. A symmetric shear stress distribution occurs only in SWCNTs with 45{sup o} orientation. The total shear load sustained is greatest in the case of 45{sup o} orientation.

Multiscale modeling of the effect of carbon nanotube orientation on the shear deformation properties of reinforced polymer-based composites

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.

Hierarchical Multinomial Processing Tree Models: A Latent-Trait Approach

Science.gov (United States)

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…

Constructive Epistemic Modeling: A Hierarchical Bayesian Model Averaging Method

Science.gov (United States)

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

2014-12-01

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

Road network safety evaluation using Bayesian hierarchical joint model.

Science.gov (United States)

Wang, Jie; Huang, Helai

2016-05-01

Safety and efficiency are commonly regarded as two significant performance indicators of transportation systems. In practice, road network planning has focused on road capacity and transport efficiency whereas the safety level of a road network has received little attention in the planning stage. This study develops a Bayesian hierarchical joint model for road network safety evaluation to help planners take traffic safety into account when planning a road network. The proposed model establishes relationships between road network risk and micro-level variables related to road entities and traffic volume, as well as socioeconomic, trip generation and network density variables at macro level which are generally used for long term transportation plans. In addition, network spatial correlation between intersections and their connected road segments is also considered in the model. A road network is elaborately selected in order to compare the proposed hierarchical joint model with a previous joint model and a negative binomial model. According to the results of the model comparison, the hierarchical joint model outperforms the joint model and negative binomial model in terms of the goodness-of-fit and predictive performance, which indicates the reasonableness of considering the hierarchical data structure in crash prediction and analysis. Moreover, both random effects at the TAZ level and the spatial correlation between intersections and their adjacent segments are found to be significant, supporting the employment of the hierarchical joint model as an alternative in road-network-level safety modeling as well. Copyright © 2016 Elsevier Ltd. All rights reserved.

Towards distributed multiscale computing for the VPH

NARCIS (Netherlands)

Hoekstra, A.G.; Coveney, P.

2010-01-01

Multiscale modeling is fundamental to the Virtual Physiological Human (VPH) initiative. Most detailed three-dimensional multiscale models lead to prohibitive computational demands. As a possible solution we present MAPPER, a computational science infrastructure for Distributed Multiscale Computing

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

Science.gov (United States)

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.

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.

Multiscale finite element methods for high-contrast problems using local spectral basis functions

KAUST Repository

Efendiev, Yalchin

2011-02-01

In this paper we study multiscale finite element methods (MsFEMs) using spectral multiscale basis functions that are designed for high-contrast problems. Multiscale basis functions are constructed using eigenvectors of a carefully selected local spectral problem. This local spectral problem strongly depends on the choice of initial partition of unity functions. The resulting space enriches the initial multiscale space using eigenvectors of local spectral problem. The eigenvectors corresponding to small, asymptotically vanishing, eigenvalues detect important features of the solutions that are not captured by initial multiscale basis functions. Multiscale basis functions are constructed such that they span these eigenfunctions that correspond to small, asymptotically vanishing, eigenvalues. We present a convergence study that shows that the convergence rate (in energy norm) is proportional to (H/Λ*)1/2, where Λ* is proportional to the minimum of the eigenvalues that the corresponding eigenvectors are not included in the coarse space. Thus, we would like to reach to a larger eigenvalue with a smaller coarse space. This is accomplished with a careful choice of initial multiscale basis functions and the setup of the eigenvalue problems. Numerical results are presented to back-up our theoretical results and to show higher accuracy of MsFEMs with spectral multiscale basis functions. We also present a hierarchical construction of the eigenvectors that provides CPU savings. © 2010.

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...

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.

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.

A multiscale analytical approach for bone remodeling simulations : linking scales from collagen to trabeculae

NARCIS (Netherlands)

Colloca, M.; Blanchard, R.; Hellmich, C.; Ito, K.; Rietbergen, van B.

2014-01-01

Bone is a dynamic and hierarchical porous material whose spatial and temporal mechanical properties can vary considerably due to differences in its microstructure and due to remodeling. Hence, a multiscale analytical approach, which combines bone structural information at multiple scales to the

Robust Real-Time Music Transcription with a Compositional Hierarchical Model.

Science.gov (United States)

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.

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

Multiscale structural study using scanning X-ray microscope

International Nuclear Information System (INIS)

Ohsumi, Hiroyuki; Arima, Taka-hisa

2016-01-01

Correspondence between structures at the atomic- and meso-scales can be given by scanning X-ray microscopy integrated with polarized X-ray diffractometry. Symmetry is the common structural feature available across multiple hierarchies. This article introduces a symmetry evaluation technique based on polarized X-ray diffractometry and describes two embodiments: chirality domain observation and antiferromagnetic domain observation. Multiscale structural studies would play an important role in uncovering universality of hierarchical structure. (author)

Multiscale Modeling of Composites: Toward Virtual Testing … and Beyond

Science.gov (United States)

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.

Adaptive Multiscale Modeling of Geochemical Impacts on Fracture Evolution

Science.gov (United States)

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

2016-12-01

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

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

Science.gov (United States)

Field, Martin J.; Wymore, Troy W.

2014-10-01

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

Multiscale geometric modeling of macromolecules I: Cartesian representation

Science.gov (United States)

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

2014-01-01

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

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

Anatomy and Physiology of Multiscale Modeling and Simulation in Systems Medicine.

Science.gov (United States)

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.

Multiscale modeling of pedestrian dynamics

CERN Document Server

Cristiani, Emiliano; Tosin, Andrea

2014-01-01

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

Multi-scale modeling of dispersed gas-liquid two-phase flow

NARCIS (Netherlands)

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

Conceptual hierarchical modeling to describe wetland plant community organization

Science.gov (United States)

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

2010-01-01

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

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)

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 multiscale model for virus capsid dynamics.

Science.gov (United States)

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.

Multiscale modelling and experimentation of hydrogen embrittlement in aerospace materials

Science.gov (United States)

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

The Revised Hierarchical Model: A critical review and assessment

OpenAIRE

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...

Learning multiscale and deep representations for classifying remotely sensed imagery

Science.gov (United States)

Zhao, Wenzhi; Du, Shihong

2016-03-01

It is widely agreed that spatial features can be combined with spectral properties for improving interpretation performances on very-high-resolution (VHR) images in urban areas. However, many existing methods for extracting spatial features can only generate low-level features and consider limited scales, leading to unpleasant classification results. In this study, multiscale convolutional neural network (MCNN) algorithm was presented to learn spatial-related deep features for hyperspectral remote imagery classification. Unlike traditional methods for extracting spatial features, the MCNN first transforms the original data sets into a pyramid structure containing spatial information at multiple scales, and then automatically extracts high-level spatial features using multiscale training data sets. Specifically, the MCNN has two merits: (1) high-level spatial features can be effectively learned by using the hierarchical learning structure and (2) multiscale learning scheme can capture contextual information at different scales. To evaluate the effectiveness of the proposed approach, the MCNN was applied to classify the well-known hyperspectral data sets and compared with traditional methods. The experimental results shown a significant increase in classification accuracies especially for urban areas.

Multiscale Micromechanical Modeling of Polymer/Clay Nanocomposites and the Effective Clay Particle

Science.gov (United States)

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.

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

Multi-Scale Modelling of the Gamma Radiolysis of Nitrate Solutions

OpenAIRE

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...

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

Comparing hierarchical models via the marginalized deviance information criterion.

Science.gov (United States)

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.

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...

A hierarchical spatiotemporal analog forecasting model for count data.

Science.gov (United States)

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.

Development of a Sampling-Based Global Sensitivity Analysis Workflow for Multiscale Computational Cancer Models

Science.gov (United States)

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

Multiscale sampling model for motion integration.

Science.gov (United States)

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.

Multi-scale salient feature extraction on mesh models

KAUST Repository

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.

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.

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.

Multiscale Simulation of Breaking Wave Impacts

DEFF Research Database (Denmark)

Lindberg, Ole

compare reasonably well. The incompressible and inviscid ALE-WLS model is coupled with the potential flow model of Engsig-Karup et al. [2009], to perform multiscale calculation of breaking wave impacts on a vertical breakwater. The potential flow model provides accurate calculation of the wave...... with a potential flow model to provide multiscale calculation of forces from breaking wave impacts on structures....

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

Sustainable design and manufacturing of multifunctional polymer nanocomposite coatings: A multiscale systems approach

Science.gov (United States)

Xiao, Jie

Polymer nanocomposites have a great potential to be a dominant coating material in a wide range of applications in the automotive, aerospace, ship-making, construction, and pharmaceutical industries. However, how to realize design sustainability of this type of nanostructured materials and how to ensure the true optimality of the product quality and process performance in coating manufacturing remain as a mountaintop area. The major challenges arise from the intrinsic multiscale nature of the material-process-product system and the need to manipulate the high levels of complexity and uncertainty in design and manufacturing processes. This research centers on the development of a comprehensive multiscale computational methodology and a computer-aided tool set that can facilitate multifunctional nanocoating design and application from novel function envisioning and idea refinement, to knowledge discovery and design solution derivation, and further to performance testing in industrial applications and life cycle analysis. The principal idea is to achieve exceptional system performance through concurrent characterization and optimization of materials, product and associated manufacturing processes covering a wide range of length and time scales. Multiscale modeling and simulation techniques ranging from microscopic molecular modeling to classical continuum modeling are seamlessly coupled. The tight integration of different methods and theories at individual scales allows the prediction of macroscopic coating performance from the fundamental molecular behavior. Goal-oriented design is also pursued by integrating additional methods for bio-inspired dynamic optimization and computational task management that can be implemented in a hierarchical computing architecture. Furthermore, multiscale systems methodologies are developed to achieve the best possible material application towards sustainable manufacturing. Automotive coating manufacturing, that involves paint spay and

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

Multiscale computer modeling in biomechanics and biomedical engineering

CERN Document Server

2013-01-01

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

Hierarchical modeling of molecular energies using a deep neural network

Science.gov (United States)

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.

Selective hierarchical patterning of silicon nanostructures via soft nanostencil lithography.

Science.gov (United States)

Du, Ke; Ding, Junjun; Wathuthanthri, Ishan; Choi, Chang-Hwan

2017-11-17

It is challenging to hierarchically pattern high-aspect-ratio nanostructures on microstructures using conventional lithographic techniques, where photoresist (PR) film is not able to uniformly cover on the microstructures as the aspect ratio increases. Such non-uniformity causes poor definition of nanopatterns over the microstructures. Nanostencil lithography can provide an alternative means to hierarchically construct nanostructures on microstructures via direct deposition or plasma etching through a free-standing nanoporous membrane. In this work, we demonstrate the multiscale hierarchical fabrication of high-aspect-ratio nanostructures on microstructures of silicon using a free-standing nanostencil, which is a nanoporous membrane consisting of metal (Cr), PR, and anti-reflective coating. The nanostencil membrane is used as a deposition mask to define Cr nanodot patterns on the predefined silicon microstructures. Then, deep reactive ion etching is used to hierarchically create nanostructures on the microstructures using the Cr nanodots as an etch mask. With simple modification of the main fabrication processes, high-aspect-ratio nanopillars are selectively defined only on top of the microstructures, on bottom, or on both top and bottom.

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

Science.gov (United States)

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

2015-01-01

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

Hierarchical and coupling model of factors influencing vessel traffic flow.

Science.gov (United States)

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.

Fast Decentralized Averaging via Multi-scale Gossip

Science.gov (United States)

Tsianos, Konstantinos I.; Rabbat, Michael G.

We are interested in the problem of computing the average consensus in a distributed fashion on random geometric graphs. We describe a new algorithm called Multi-scale Gossip which employs a hierarchical decomposition of the graph to partition the computation into tractable sub-problems. Using only pairwise messages of fixed size that travel at most O(n^{1/3}) hops, our algorithm is robust and has communication cost of O(n loglogn logɛ - 1) transmissions, which is order-optimal up to the logarithmic factor in n. Simulated experiments verify the good expected performance on graphs of many thousands of nodes.

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.

Hierarchical graphical-based human pose estimation via local multi-resolution convolutional neural network

Science.gov (United States)

Zhu, Aichun; Wang, Tian; Snoussi, Hichem

2018-03-01

This paper addresses the problems of the graphical-based human pose estimation in still images, including the diversity of appearances and confounding background clutter. We present a new architecture for estimating human pose using a Convolutional Neural Network (CNN). Firstly, a Relative Mixture Deformable Model (RMDM) is defined by each pair of connected parts to compute the relative spatial information in the graphical model. Secondly, a Local Multi-Resolution Convolutional Neural Network (LMR-CNN) is proposed to train and learn the multi-scale representation of each body parts by combining different levels of part context. Thirdly, a LMR-CNN based hierarchical model is defined to explore the context information of limb parts. Finally, the experimental results demonstrate the effectiveness of the proposed deep learning approach for human pose estimation.

Hierarchical graphical-based human pose estimation via local multi-resolution convolutional neural network

Directory of Open Access Journals (Sweden)

Aichun Zhu

2018-03-01

Full Text Available This paper addresses the problems of the graphical-based human pose estimation in still images, including the diversity of appearances and confounding background clutter. We present a new architecture for estimating human pose using a Convolutional Neural Network (CNN. Firstly, a Relative Mixture Deformable Model (RMDM is defined by each pair of connected parts to compute the relative spatial information in the graphical model. Secondly, a Local Multi-Resolution Convolutional Neural Network (LMR-CNN is proposed to train and learn the multi-scale representation of each body parts by combining different levels of part context. Thirdly, a LMR-CNN based hierarchical model is defined to explore the context information of limb parts. Finally, the experimental results demonstrate the effectiveness of the proposed deep learning approach for human pose estimation.

Collaborative Multi-Scale 3d City and Infrastructure Modeling and Simulation

Science.gov (United States)

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.

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.

Multi-scale modeling with cellular automata: The complex automata approach

NARCIS (Netherlands)

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 Bayesian Models of Subtask Learning

Science.gov (United States)

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…

Multi-scale modeling of the environmental impact and energy performance of open-loop groundwater heat pumps in urban areas

International Nuclear Information System (INIS)

Sciacovelli, A.; Guelpa, E.; Verda, V.

2014-01-01

Groundwater heat pumps are expected to play a major role in future energy scenarios. Proliferation of such systems in urban areas may generate issues related to possible interference between installations. These issues are associated with the thermal plume produced by heat pumps during operation and are particularly evident in the case of groundwater flow, because of the advection heat transfer. In this paper, the impact of an installation is investigated through a thermo-fluid dynamic model of the subsurface which considers fluid flow in the saturated unit and heat transfer in both the saturated and unsaturated units. Due to the large extension of the affected area, a multiscale numerical model that combines a three-dimensional CFD model and a network model is proposed. The thermal request of the user and the heat pump performances are considered in the multi-scale numerical model through appropriate boundary conditions imposed at the wells. Various scenarios corresponding to different operating modes of the heat pump are considered. - Highlights: • A groundwater heat pump of a skyscraper under construction is considered. • The thermal plume induced in the groundwater is evaluated using a multi-scale model. • The multi-scale model is constituted by a full 3D model and a network model. • Multi-scale permits to study large space for long time with low computational costs. • In some cases thermal plume can reduce the COP of other heat pumps of 20%

Reducing the computational requirements for simulating tunnel fires by combining multiscale modelling and multiple processor calculation

DEFF Research Database (Denmark)

Vermesi, Izabella; Rein, Guillermo; Colella, Francesco

2017-01-01

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...

Automatic thoracic anatomy segmentation on CT images using hierarchical fuzzy models and registration

Science.gov (United States)

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.

A bidirectional coupling procedure applied to multiscale respiratory modeling

Science.gov (United States)

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

2013-07-01

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

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

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 Mathematics for Biomass Conversion to Renewable Hydrogen

Energy Technology Data Exchange (ETDEWEB)

Plechac, Petr [Univ. of Tennessee, Knoxville, TN (United States). Dept. of Mathematics; Univ. of Delaware, Newark, DE (United States). Dept. of Mathematics; Vlachos, Dionisios [Univ. of Delaware, Newark, DE (United States). Dept. of Chemical and Biomolecular Engineering; Katsoulakis, Markos [Univ. of Massachusetts, Amherst, MA (United States). Dept. of Mathematics

2013-09-05

The overall objective of this project is to develop multiscale models for understanding and eventually designing complex processes for renewables. To the best of our knowledge, our work is the first attempt at modeling complex reacting systems, whose performance relies on underlying multiscale mathematics. Our specific application lies at the heart of biofuels initiatives of DOE and entails modeling of catalytic systems, to enable economic, environmentally benign, and efficient conversion of biomass into either hydrogen or valuable chemicals. Specific goals include: (i) Development of rigorous spatio-temporal coarse-grained kinetic Monte Carlo (KMC) mathematics and simulation for microscopic processes encountered in biomass transformation. (ii) Development of hybrid multiscale simulation that links stochastic simulation to a deterministic partial differential equation (PDE) model for an entire reactor. (iii) Development of hybrid multiscale simulation that links KMC simulation with quantum density functional theory (DFT) calculations. (iv) Development of parallelization of models of (i)-(iii) to take advantage of Petaflop computing and enable real world applications of complex, multiscale models. In this NCE period, we continued addressing these objectives and completed the proposed work. Main initiatives, key results, and activities are outlined.

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

Multi-Scale Modeling of the Gamma Radiolysis of Nitrate Solutions.

Science.gov (United States)

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 multiscale MD-FE model of diffusion in composite media with internal surface interaction based on numerical homogenization procedure.

Science.gov (United States)

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.

Bayesian inference on multiscale models for poisson intensity estimation: applications to photon-limited image denoising.

Science.gov (United States)

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.

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.

A phenomenological variational multiscale constitutive model for intergranular failure in nanocrystalline materials

KAUST Repository

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

A MULTISCALE FRAMEWORK FOR THE STOCHASTIC ASSIMILATION AND MODELING OF UNCERTAINTY ASSOCIATED NCF COMPOSITE MATERIALS

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.

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

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.

Multiscale Molecular Dynamics Model for Heterogeneous Charged Systems

Science.gov (United States)

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 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...

A multiscale asymptotic analysis of time evolution equations on the complex plane

Energy Technology Data Exchange (ETDEWEB)

Braga, Gastão A., E-mail: gbraga@mat.ufmg.br [Departamento de Matemática, Universidade Federal de Minas Gerais, Caixa Postal 702, 30161-970 Belo Horizonte, MG (Brazil); Conti, William R. P., E-mail: wrpconti@gmail.com [Departamento de Ciências do Mar, Universidade Federal de São Paulo, Rua Dr. Carvalho de Mendonça 144, 11070-100 Santos, SP (Brazil)

2016-07-15

Using an appropriate norm on the space of entire functions, we extend to the complex plane the renormalization group method as developed by Bricmont et al. The method is based upon a multiscale approach that allows for a detailed description of the long time asymptotics of solutions to initial value problems. The time evolution equation considered here arises in the study of iterations of the block spin renormalization group transformation for the hierarchical N-vector model. We show that, for initial conditions belonging to a certain Fréchet space of entire functions of exponential type, the asymptotics is universal in the sense that it is dictated by the fixed point of a certain operator acting on the space of initial conditions.

Coarse-graining and hybrid methods for efficient simulation of stochastic multi-scale models of tumour growth

International Nuclear Information System (INIS)

Cruz, Roberto de la; Guerrero, Pilar; Calvo, Juan; Alarcón, Tomás

2017-01-01

The development of hybrid methodologies is of current interest in both multi-scale modelling and stochastic reaction–diffusion systems regarding their applications to biology. We formulate a hybrid method for stochastic multi-scale models of cells populations that extends the remit of existing hybrid methods for reaction–diffusion systems. Such method is developed for a stochastic multi-scale model of tumour growth, i.e. population-dynamical models which account for the effects of intrinsic noise affecting both the number of cells and the intracellular dynamics. In order to formulate this method, we develop a coarse-grained approximation for both the full stochastic model and its mean-field limit. Such approximation involves averaging out the age-structure (which accounts for the multi-scale nature of the model) by assuming that the age distribution of the population settles onto equilibrium very fast. We then couple the coarse-grained mean-field model to the full stochastic multi-scale model. By doing so, within the mean-field region, we are neglecting noise in both cell numbers (population) and their birth rates (structure). This implies that, in addition to the issues that arise in stochastic-reaction diffusion systems, we need to account for the age-structure of the population when attempting to couple both descriptions. We exploit our coarse-graining model so that, within the mean-field region, the age-distribution is in equilibrium and we know its explicit form. This allows us to couple both domains consistently, as upon transference of cells from the mean-field to the stochastic region, we sample the equilibrium age distribution. Furthermore, our method allows us to investigate the effects of intracellular noise, i.e. fluctuations of the birth rate, on collective properties such as travelling wave velocity. We show that the combination of population and birth-rate noise gives rise to large fluctuations of the birth rate in the region at the leading edge

APPLICATION OF THE MODELS-3 COMMUNITY MULTI-SCALE AIR QUALITY (CMAQ) MODEL SYSTEM TO SOS/NASHVILLE 1999

Science.gov (United States)

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...

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.

Multiscale Modeling of Wear Degradation

KAUST Repository

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

KAUST Repository

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

KAUST Repository

Moraes, Alvaro

2015-01-07

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

Multiscale Modeling of Wear Degradation

KAUST Repository

Moraes, Alvaro

2014-01-06

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

Multiscale Modeling of Wear Degradation

KAUST Repository

Moraes, Alvaro

2016-01-06

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

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

Coarse-graining and hybrid methods for efficient simulation of stochastic multi-scale models of tumour growth

Science.gov (United States)

de la Cruz, Roberto; Guerrero, Pilar; Calvo, Juan; Alarcón, Tomás

2017-12-01

The development of hybrid methodologies is of current interest in both multi-scale modelling and stochastic reaction-diffusion systems regarding their applications to biology. We formulate a hybrid method for stochastic multi-scale models of cells populations that extends the remit of existing hybrid methods for reaction-diffusion systems. Such method is developed for a stochastic multi-scale model of tumour growth, i.e. population-dynamical models which account for the effects of intrinsic noise affecting both the number of cells and the intracellular dynamics. In order to formulate this method, we develop a coarse-grained approximation for both the full stochastic model and its mean-field limit. Such approximation involves averaging out the age-structure (which accounts for the multi-scale nature of the model) by assuming that the age distribution of the population settles onto equilibrium very fast. We then couple the coarse-grained mean-field model to the full stochastic multi-scale model. By doing so, within the mean-field region, we are neglecting noise in both cell numbers (population) and their birth rates (structure). This implies that, in addition to the issues that arise in stochastic-reaction diffusion systems, we need to account for the age-structure of the population when attempting to couple both descriptions. We exploit our coarse-graining model so that, within the mean-field region, the age-distribution is in equilibrium and we know its explicit form. This allows us to couple both domains consistently, as upon transference of cells from the mean-field to the stochastic region, we sample the equilibrium age distribution. Furthermore, our method allows us to investigate the effects of intracellular noise, i.e. fluctuations of the birth rate, on collective properties such as travelling wave velocity. We show that the combination of population and birth-rate noise gives rise to large fluctuations of the birth rate in the region at the leading edge of

Peridynamic Multiscale Finite Element Methods

Energy Technology Data Exchange (ETDEWEB)

Costa, Timothy [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Bond, Stephen D. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Littlewood, David John [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Moore, Stan Gerald [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

2015-12-01

The problem of computing quantum-accurate design-scale solutions to mechanics problems is rich with applications and serves as the background to modern multiscale science research. The prob- lem can be broken into component problems comprised of communicating across adjacent scales, which when strung together create a pipeline for information to travel from quantum scales to design scales. Traditionally, this involves connections between a) quantum electronic structure calculations and molecular dynamics and between b) molecular dynamics and local partial differ- ential equation models at the design scale. The second step, b), is particularly challenging since the appropriate scales of molecular dynamic and local partial differential equation models do not overlap. The peridynamic model for continuum mechanics provides an advantage in this endeavor, as the basic equations of peridynamics are valid at a wide range of scales limiting from the classical partial differential equation models valid at the design scale to the scale of molecular dynamics. In this work we focus on the development of multiscale finite element methods for the peridynamic model, in an effort to create a mathematically consistent channel for microscale information to travel from the upper limits of the molecular dynamics scale to the design scale. In particular, we first develop a Nonlocal Multiscale Finite Element Method which solves the peridynamic model at multiple scales to include microscale information at the coarse-scale. We then consider a method that solves a fine-scale peridynamic model to build element-support basis functions for a coarse- scale local partial differential equation model, called the Mixed Locality Multiscale Finite Element Method. Given decades of research and development into finite element codes for the local partial differential equation models of continuum mechanics there is a strong desire to couple local and nonlocal models to leverage the speed and state of the

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.

Magnetic hysteresis at the domain scale of a multi-scale material model for magneto-elastic behaviour

Energy Technology Data Exchange (ETDEWEB)

Vanoost, D., E-mail: dries.vanoost@kuleuven-kulak.be [KU Leuven Technology Campus Ostend, ReMI Research Group, Oostende B-8400 (Belgium); KU Leuven Kulak, Wave Propagation and Signal Processing Research Group, Kortrijk B-8500 (Belgium); Steentjes, S. [Institute of Electrical Machines, RWTH Aachen University, Aachen D-52062 (Germany); Peuteman, J. [KU Leuven Technology Campus Ostend, ReMI Research Group, Oostende B-8400 (Belgium); KU Leuven, Department of Electrical Engineering, Electrical Energy and Computer Architecture, Heverlee B-3001 (Belgium); Gielen, G. [KU Leuven, Department of Electrical Engineering, Microelectronics and Sensors, Heverlee B-3001 (Belgium); De Gersem, H. [KU Leuven Kulak, Wave Propagation and Signal Processing Research Group, Kortrijk B-8500 (Belgium); TU Darmstadt, Institut für Theorie Elektromagnetischer Felder, Darmstadt D-64289 (Germany); Pissoort, D. [KU Leuven Technology Campus Ostend, ReMI Research Group, Oostende B-8400 (Belgium); KU Leuven, Department of Electrical Engineering, Microelectronics and Sensors, Heverlee B-3001 (Belgium); Hameyer, K. [Institute of Electrical Machines, RWTH Aachen University, Aachen D-52062 (Germany)

2016-09-15

This paper proposes a multi-scale energy-based material model for poly-crystalline materials. Describing the behaviour of poly-crystalline materials at three spatial scales of dominating physical mechanisms allows accounting for the heterogeneity and multi-axiality of the material behaviour. The three spatial scales are the poly-crystalline, grain and domain scale. Together with appropriate scale transitions rules and models for local magnetic behaviour at each scale, the model is able to describe the magneto-elastic behaviour (magnetostriction and hysteresis) at the macroscale, although the data input is merely based on a set of physical constants. Introducing a new energy density function that describes the demagnetisation field, the anhysteretic multi-scale energy-based material model is extended to the hysteretic case. The hysteresis behaviour is included at the domain scale according to the micro-magnetic domain theory while preserving a valid description for the magneto-elastic coupling. The model is verified using existing measurement data for different mechanical stress levels. - Highlights: • A ferromagnetic hysteretic energy-based multi-scale material model is proposed. • The hysteresis is obtained by new proposed hysteresis energy density function. • Avoids tedious parameter identification.

Evaluating multi-level models to test occupancy state responses of Plethodontid salamanders

Science.gov (United States)

Kroll, Andrew J.; Garcia, Tiffany S.; Jones, Jay E.; Dugger, Catherine; Murden, Blake; Johnson, Josh; Peerman, Summer; Brintz, Ben; Rochelle, Michael

2015-01-01

Plethodontid salamanders are diverse and widely distributed taxa and play critical roles in ecosystem processes. Due to salamander use of structurally complex habitats, and because only a portion of a population is available for sampling, evaluation of sampling designs and estimators is critical to provide strong inference about Plethodontid ecology and responses to conservation and management activities. We conducted a simulation study to evaluate the effectiveness of multi-scale and hierarchical single-scale occupancy models in the context of a Before-After Control-Impact (BACI) experimental design with multiple levels of sampling. Also, we fit the hierarchical single-scale model to empirical data collected for Oregon slender and Ensatina salamanders across two years on 66 forest stands in the Cascade Range, Oregon, USA. All models were fit within a Bayesian framework. Estimator precision in both models improved with increasing numbers of primary and secondary sampling units, underscoring the potential gains accrued when adding secondary sampling units. Both models showed evidence of estimator bias at low detection probabilities and low sample sizes; this problem was particularly acute for the multi-scale model. Our results suggested that sufficient sample sizes at both the primary and secondary sampling levels could ameliorate this issue. Empirical data indicated Oregon slender salamander occupancy was associated strongly with the amount of coarse woody debris (posterior mean = 0.74; SD = 0.24); Ensatina occupancy was not associated with amount of coarse woody debris (posterior mean = -0.01; SD = 0.29). Our simulation results indicate that either model is suitable for use in an experimental study of Plethodontid salamanders provided that sample sizes are sufficiently large. However, hierarchical single-scale and multi-scale models describe different processes and estimate different parameters. As a result, we recommend careful consideration of study questions

Evaluating Multi-Level Models to Test Occupancy State Responses of Plethodontid Salamanders.

Directory of Open Access Journals (Sweden)

Andrew J Kroll

Full Text Available Plethodontid salamanders are diverse and widely distributed taxa and play critical roles in ecosystem processes. Due to salamander use of structurally complex habitats, and because only a portion of a population is available for sampling, evaluation of sampling designs and estimators is critical to provide strong inference about Plethodontid ecology and responses to conservation and management activities. We conducted a simulation study to evaluate the effectiveness of multi-scale and hierarchical single-scale occupancy models in the context of a Before-After Control-Impact (BACI experimental design with multiple levels of sampling. Also, we fit the hierarchical single-scale model to empirical data collected for Oregon slender and Ensatina salamanders across two years on 66 forest stands in the Cascade Range, Oregon, USA. All models were fit within a Bayesian framework. Estimator precision in both models improved with increasing numbers of primary and secondary sampling units, underscoring the potential gains accrued when adding secondary sampling units. Both models showed evidence of estimator bias at low detection probabilities and low sample sizes; this problem was particularly acute for the multi-scale model. Our results suggested that sufficient sample sizes at both the primary and secondary sampling levels could ameliorate this issue. Empirical data indicated Oregon slender salamander occupancy was associated strongly with the amount of coarse woody debris (posterior mean = 0.74; SD = 0.24; Ensatina occupancy was not associated with amount of coarse woody debris (posterior mean = -0.01; SD = 0.29. Our simulation results indicate that either model is suitable for use in an experimental study of Plethodontid salamanders provided that sample sizes are sufficiently large. However, hierarchical single-scale and multi-scale models describe different processes and estimate different parameters. As a result, we recommend careful consideration of

Cellular potts models multiscale extensions and biological applications

CERN Document Server

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...

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

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 virtual particle based elastic network model (MVP-ENM) for normal mode analysis of large-sized biomolecules.

Science.gov (United States)

Xia, Kelin

2017-12-20

In this paper, a multiscale virtual particle based elastic network model (MVP-ENM) is proposed for the normal mode analysis of large-sized biomolecules. The multiscale virtual particle (MVP) model is proposed for the discretization of biomolecular density data. With this model, large-sized biomolecular structures can be coarse-grained into virtual particles such that a balance between model accuracy and computational cost can be achieved. An elastic network is constructed by assuming "connections" between virtual particles. The connection is described by a special harmonic potential function, which considers the influence from both the mass distributions and distance relations of the virtual particles. Two independent models, i.e., the multiscale virtual particle based Gaussian network model (MVP-GNM) and the multiscale virtual particle based anisotropic network model (MVP-ANM), are proposed. It has been found that in the Debye-Waller factor (B-factor) prediction, the results from our MVP-GNM with a high resolution are as good as the ones from GNM. Even with low resolutions, our MVP-GNM can still capture the global behavior of the B-factor very well with mismatches predominantly from the regions with large B-factor values. Further, it has been demonstrated that the low-frequency eigenmodes from our MVP-ANM are highly consistent with the ones from ANM even with very low resolutions and a coarse grid. Finally, the great advantage of MVP-ANM model for large-sized biomolecules has been demonstrated by using two poliovirus virus structures. The paper ends with a conclusion.

Land-Atmosphere Coupling in the Multi-Scale Modelling Framework

Science.gov (United States)

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

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

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

Application of Mortar Coupling in Multiscale Modelling of Coupled Flow, Transport, and Biofilm Growth in Porous Media

Science.gov (United States)

Laleian, A.; Valocchi, A. J.; Werth, C. J.

2017-12-01

Multiscale models of reactive transport in porous media are capable of capturing complex pore-scale processes while leveraging the efficiency of continuum-scale models. In particular, porosity changes caused by biofilm development yield complex feedbacks between transport and reaction that are difficult to quantify at the continuum scale. Pore-scale models, needed to accurately resolve these dynamics, are often impractical for applications due to their computational cost. To address this challenge, we are developing a multiscale model of biofilm growth in which non-overlapping regions at pore and continuum spatial scales are coupled with a mortar method providing continuity at interfaces. We explore two decompositions of coupled pore-scale and continuum-scale regions to study biofilm growth in a transverse mixing zone. In the first decomposition, all reaction is confined to a pore-scale region extending the transverse mixing zone length. Only solute transport occurs in the surrounding continuum-scale regions. Relative to a fully pore-scale result, we find the multiscale model with this decomposition has a reduced run time and consistent result in terms of biofilm growth and solute utilization. In the second decomposition, reaction occurs in both an up-gradient pore-scale region and a down-gradient continuum-scale region. To quantify clogging, the continuum-scale model implements empirical relations between porosity and continuum-scale parameters, such as permeability and the transverse dispersion coefficient. Solutes are sufficiently mixed at the end of the pore-scale region, such that the initial reaction rate is accurately computed using averaged concentrations in the continuum-scale region. Relative to a fully pore-scale result, we find accuracy of biomass growth in the multiscale model with this decomposition improves as the interface between pore-scale and continuum-scale regions moves downgradient where transverse mixing is more fully developed. Also, this

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)

Preparation of hierarchical porous Zn-salt particles and their superhydrophobic performance

Energy Technology Data Exchange (ETDEWEB)

Gao, Dahai; Jia, Mengqiu, E-mail: jiamq@mail.buct.edu.cn

2015-12-30

Graphical abstract: - Highlights: • Hierarchical particles with high roughness were prepared by modified hydrothermal route. • The high roughness is provided by extremely low thickness of sheet crystals. • FEVE polymer derivative was used for surface treatment of hierarchical surface. • The novel particles via surface treatment were firstly used as superhydrophobic materials. • The product properties were compared with multi-scale ZnO particles via conventional route. - Abstract: Superhydrophobic surfaces arranged by hierarchical porous particles were prepared using modified hydrothermal routes under the effect of sodium citrate. Two particle samples were generated in the medium of hexamethylenetetramine (P1) and urea (P2), respectively. X-ray diffraction, scanning electron microscope, and transmission electron microscope were adopted for the investigation, and results revealed that the P1 and P2 particles are porous microspheres with crosslinked extremely thin (10–30 nm) sheet crystals composed of Zn{sub 5}(OH){sub 8}Ac{sub 2}·2H{sub 2}O and Zn{sub 5}(CO{sub 3}){sub 2}(OH){sub 6}, respectively. The prepared particles were treated with a fluoroethylene vinyl ether derivative and studied using Fourier transform infrared spectroscopy and energy-dispersive X-ray spectrometer. Results showed that the hierarchical surfaces of these particles were combined with low-wettable fluorocarbon layers. Moreover, the fabricated surface composed of the prepared hierarchical particles displayed considerably high contact angles, indicating great superhydrophobicity for the products. The wetting behavior of the particles was analyzed with a theoretical wetting model in comparison with that of chestnut-like ZnO products obtained through a conventional hydrothermal route. Correspondingly, this study provided evidence that high roughness surface plays a great role in superhydrophobic behavior.

Applying Hierarchical Model Calibration to Automatically Generated Items.

Science.gov (United States)

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…

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.

Multi-time, multi-scale correlation functions in turbulence and in turbulent models

NARCIS (Netherlands)

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

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].

3D Multiscale Modelling of Angiogenesis and Vascular Tumour Growth

KAUST Repository

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.

3D Multiscale Modelling of Angiogenesis and Vascular Tumour Growth

KAUST Repository

Perfahl, H.

2012-11-01

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

Multiscale Models for the Two-Stream Instability

Science.gov (United States)

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.

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.

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.

Application of hierarchical genetic models to Raven and WAIS subtests: a Dutch twin study

NARCIS (Netherlands)

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

A multiscale MD–FE model of diffusion in composite media with internal surface interaction based on numerical homogenization procedure

Science.gov (United States)

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

Multiscale study of metal nanoparticles

Science.gov (United States)

Lee, Byeongchan

Extremely small structures with reduced dimensionality have emerged as a scientific motif for their interesting properties. In particular, metal nanoparticles have been identified as a fundamental material in many catalytic activities; as a consequence, a better understanding of structure-function relationship of nanoparticles has become crucial. The functional analysis of nanoparticles, reactivity for example, requires an accurate method at the electronic structure level, whereas the structural analysis to find energetically stable local minima is beyond the scope of quantum mechanical methods as the computational cost becomes prohibitingly high. The challenge is that the inherent length scale and accuracy associated with any single method hardly covers the broad scale range spanned by both structural and functional analyses. In order to address this, and effectively explore the energetics and reactivity of metal nanoparticles, a hierarchical multiscale modeling is developed, where methodologies of different length scales, i.e. first principles density functional theory, atomistic calculations, and continuum modeling, are utilized in a sequential fashion. This work has focused on identifying the essential information that bridges two different methods so that a successive use of different methods is seamless. The bond characteristics of low coordination systems have been obtained with first principles calculations, and incorporated into the atomistic simulation. This also rectifies the deficiency of conventional interatomic potentials fitted to bulk properties, and improves the accuracy of atomistic calculations for nanoparticles. For the systematic shape selection of nanoparticles, we have improved the Wulff-type construction using a semi-continuum approach, in which atomistic surface energetics and crystallinity of materials are added on to the continuum framework. The developed multiscale modeling scheme is applied to the rational design of platinum

Review on modeling development for multiscale chemical reactions coupled transport phenomena in solid oxide fuel cells

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.

Multi-scale Multi-mechanism Toughening of Hydrogels

Science.gov (United States)

Zhao, Xuanhe

Hydrogels are widely used as scaffolds for tissue engineering, vehicles for drug delivery, actuators for optics and fluidics, and model extracellular matrices for biological studies. The scope of hydrogel applications, however, is often severely limited by their mechanical properties. Inspired by the mechanics and hierarchical structures of tough biological tissues, we propose that a general principle for the design of tough hydrogels is to implement two mechanisms for dissipating mechanical energy and maintaining high elasticity in hydrogels. A particularly promising strategy for the design is to integrate multiple pairs of mechanisms across multiple length scales into a hydrogel. We develop a multiscale theoretical framework to quantitatively guide the design of tough hydrogels. On the network level, we have developed micro-physical models to characterize the evolution of polymer networks under deformation. On the continuum level, we have implemented constitutive laws formulated from the network-level models into a coupled cohesive-zone and Mullins-effect model to quantitatively predict crack propagation and fracture toughness of hydrogels. Guided by the design principle and quantitative model, we will demonstrate a set of new hydrogels, based on diverse types of polymers, yet can achieve extremely high toughness superior to their natural counterparts such as cartilages. The work was supported by NSF(No. CMMI- 1253495) and ONR (No. N00014-14-1-0528).

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

Science.gov (United States)

Kovalenko, Andriy

2014-08-01

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

Multiscale musculoskeletal modelling, data–model fusion and electromyography-informed modelling

Science.gov (United States)

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

Multicollinearity in hierarchical linear models.

Science.gov (United States)

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

2015-09-01

This study investigates an ill-posed problem (multicollinearity) in Hierarchical Linear Models from both the data and the model perspectives. We propose an intuitive, effective approach to diagnosing the presence of multicollinearity and its remedies in this class of models. A simulation study demonstrates the impacts of multicollinearity on coefficient estimates, associated standard errors, and variance components at various levels of multicollinearity for finite sample sizes typical in social science studies. We further investigate the role multicollinearity plays at each level for estimation of coefficient parameters in terms of shrinkage. Based on these analyses, we recommend a top-down method for assessing multicollinearity in HLMs that first examines the contextual predictors (Level-2 in a two-level model) and then the individual predictors (Level-1) and uses the results for data collection, research problem redefinition, model re-specification, variable selection and estimation of a final model. Copyright © 2015 Elsevier Inc. All rights reserved.

The hierarchical nature of the spin alignment of dark matter haloes in filaments

Science.gov (United States)

Aragon-Calvo, M. A.; Yang, Lin Forrest

2014-05-01

Dark matter haloes in cosmological filaments and walls have (in average) their spin vector aligned with their host structure. While haloes in walls are aligned with the plane of the wall independently of their mass, haloes in filaments present a mass-dependent two-regime orientation. Here, we show that the transition mass determining the change in the alignment regime (from parallel to perpendicular) depends on the hierarchical level in which the halo is located, reflecting the hierarchical nature of the Cosmic Web. By explicitly exposing the hierarchical structure of the Cosmic Web, we are able to identify the contributions of different components of the filament network to the alignment signal. We propose a unifying picture of angular momentum acquisition that is based on the results presented here and previous results found by other authors. In order to do a hierarchical characterization of the Cosmic Web, we introduce a new implementation of the multiscale morphology filter, the MMF-2, that significantly improves the identification of structures and explicitly describes their hierarchy. L36

A Real-time Generalization and Multi-scale Visualization Method for POI Data in Volunteered Geographic Information

Directory of Open Access Journals (Sweden)

YANG Min

2015-02-01

Full Text Available With the development of mobile and Web technologies, there has been an increasing number of map-based mushups which display different kinds of POI data in volunteered geographic information. Due to the lack of suitable mechanisms for multi-scale visualization, the display of the POI data often result in the icon clustering problem with icons touching and overlapping each other. This paper introduces a multi-scale visualization method for urban facility POI data by combing the classic methods of generalization and on-line environment. Firstly, we organize the POI data into hierarchical structure by preprocessing in the server-side; the POI features then will be obtained based on the display scale in the client-side and the displacement operation will be executed to resolve the local icon conflicts. Experiments show that this approach can not only achieve the requirements of real-time online, but also can get better multi-scale representation of POI data.

Detecting Hierarchical Structure in Networks

DEFF Research Database (Denmark)

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

2012-01-01

Many real-world networks exhibit hierarchical organization. Previous models of hierarchies within relational data has focused on binary trees; however, for many networks it is unknown whether there is hierarchical structure, and if there is, a binary tree might not account well for it. We propose...... a generative Bayesian model that is able to infer whether hierarchies are present or not from a hypothesis space encompassing all types of hierarchical tree structures. For efficient inference we propose a collapsed Gibbs sampling procedure that jointly infers a partition and its hierarchical structure....... On synthetic and real data we demonstrate that our model can detect hierarchical structure leading to better link-prediction than competing models. Our model can be used to detect if a network exhibits hierarchical structure, thereby leading to a better comprehension and statistical account the network....

Multiscale modeling of alloy solidification using a database approach

Science.gov (United States)

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

Universal Method for Creating Hierarchical Wrinkles on Thin-Film Surfaces.

Science.gov (United States)

Jung, Woo-Bin; Cho, Kyeong Min; Lee, Won-Kyu; Odom, Teri W; Jung, Hee-Tae

2018-01-10

One of the most interesting topics in physical science and materials science is the creation of complex wrinkled structures on thin-film surfaces because of their several advantages of high surface area, localized strain, and stress tolerance. In this study, a significant step was taken toward solving limitations imposed by the fabrication of previous artificial wrinkles. A universal method for preparing hierarchical three-dimensional wrinkle structures of thin films on a multiple scale (e.g., nanometers to micrometers) by sequential wrinkling with different skin layers was developed. Notably, this method was not limited to specific materials, and it was applicable to fabricating hierarchical wrinkles on all of the thin-film surfaces tested thus far, including those of metals, two-dimensional and one-dimensional materials, and polymers. The hierarchical wrinkles with multiscale structures were prepared by sequential wrinkling, in which a sacrificial layer was used as the additional skin layer between sequences. For example, a hierarchical MoS 2 wrinkle exhibited highly enhanced catalytic behavior because of the superaerophobicity and effective surface area, which are related to topological effects. As the developed method can be adopted to a majority of thin films, it is thought to be a universal method for enhancing the physical properties of various materials.

Hierarchical ordering with partial pairwise hierarchical relationships on the macaque brain data sets.

Directory of Open Access Journals (Sweden)

Woosang Lim

Full Text Available Hierarchical organizations of information processing in the brain networks have been known to exist and widely studied. To find proper hierarchical structures in the macaque brain, the traditional methods need the entire pairwise hierarchical relationships between cortical areas. In this paper, we present a new method that discovers hierarchical structures of macaque brain networks by using partial information of pairwise hierarchical relationships. Our method uses a graph-based manifold learning to exploit inherent relationship, and computes pseudo distances of hierarchical levels for every pair of cortical areas. Then, we compute hierarchy levels of all cortical areas by minimizing the sum of squared hierarchical distance errors with the hierarchical information of few cortical areas. We evaluate our method on the macaque brain data sets whose true hierarchical levels are known as the FV91 model. The experimental results show that hierarchy levels computed by our method are similar to the FV91 model, and its errors are much smaller than the errors of hierarchical clustering approaches.

Usability Prediction & Ranking of SDLC Models Using Fuzzy Hierarchical Usability Model

Science.gov (United States)

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.

Comparing the performance of flat and hierarchical Habitat/Land-Cover classification models in a NATURA 2000 site

Science.gov (United States)

Gavish, Yoni; O'Connell, Jerome; Marsh, Charles J.; Tarantino, Cristina; Blonda, Palma; Tomaselli, Valeria; Kunin, William E.

2018-02-01

The increasing need for high quality Habitat/Land-Cover (H/LC) maps has triggered considerable research into novel machine-learning based classification models. In many cases, H/LC classes follow pre-defined hierarchical classification schemes (e.g., CORINE), in which fine H/LC categories are thematically nested within more general categories. However, none of the existing machine-learning algorithms account for this pre-defined hierarchical structure. Here we introduce a novel Random Forest (RF) based application of hierarchical classification, which fits a separate local classification model in every branching point of the thematic tree, and then integrates all the different local models to a single global prediction. We applied the hierarchal RF approach in a NATURA 2000 site in Italy, using two land-cover (CORINE, FAO-LCCS) and one habitat classification scheme (EUNIS) that differ from one another in the shape of the class hierarchy. For all 3 classification schemes, both the hierarchical model and a flat model alternative provided accurate predictions, with kappa values mostly above 0.9 (despite using only 2.2-3.2% of the study area as training cells). The flat approach slightly outperformed the hierarchical models when the hierarchy was relatively simple, while the hierarchical model worked better under more complex thematic hierarchies. Most misclassifications came from habitat pairs that are thematically distant yet spectrally similar. In 2 out of 3 classification schemes, the additional constraints of the hierarchical model resulted with fewer such serious misclassifications relative to the flat model. The hierarchical model also provided valuable information on variable importance which can shed light into "black-box" based machine learning algorithms like RF. We suggest various ways by which hierarchical classification models can increase the accuracy and interpretability of H/LC classification maps.

Gating mechanisms of mechanosensitive channels of large conductance, I: a continuum mechanics-based hierarchical framework.

Science.gov (United States)

Chen, Xi; Cui, Qiang; Tang, Yuye; Yoo, Jejoong; Yethiraj, Arun

2008-07-01

A hierarchical simulation framework that integrates information from molecular dynamics (MD) simulations into a continuum model is established to study the mechanical response of mechanosensitive channel of large-conductance (MscL) using the finite element method (FEM). The proposed MD-decorated FEM (MDeFEM) approach is used to explore the detailed gating mechanisms of the MscL in Escherichia coli embedded in a palmitoyloleoylphosphatidylethanolamine lipid bilayer. In Part I of this study, the framework of MDeFEM is established. The transmembrane and cytoplasmic helices are taken to be elastic rods, the loops are modeled as springs, and the lipid bilayer is approximated by a three-layer sheet. The mechanical properties of the continuum components, as well as their interactions, are derived from molecular simulations based on atomic force fields. In addition, analytical closed-form continuum model and elastic network model are established to complement the MDeFEM approach and to capture the most essential features of gating. In Part II of this study, the detailed gating mechanisms of E. coli-MscL under various types of loading are presented and compared with experiments, structural model, and all-atom simulations, as well as the analytical models established in Part I. It is envisioned that such a hierarchical multiscale framework will find great value in the study of a variety of biological processes involving complex mechanical deformations such as muscle contraction and mechanotransduction.

Fabrication and properties of dual-level hierarchical structures mimicking gecko foot hairs.

Science.gov (United States)

Zhang, Peng; Liu, Shiyuan; Lv, Hao

2013-02-01

In nature, geckos have extraordinary adhesive capabilities. The multi-scale hierarchical structure of the gecko foot hairs, especially the high-aspect-ratio structure of its micro-scale seta and nano-scale spatulae is the critical factor of the gecko's ability to adopt and stick to any different surface with powerful adhesion force. In this paper, we present a simple and effective approach to fabricate dual-level hierarchical structures mimicking gecko foot hairs. Polydimethyl-siloxane (PDMS) hierarchical arrays were fabricated by demolding from a double stack mold that was composed of an SU-8 mold by thick film photolithography and a silicon mold by inductively coupled plasma (ICP) etching. Top pillars of the fabricated structures have 3 micom diameter and 18 microm in height, while base pillars have 25 microm diameter and 40 microm in height. The water droplet contact angle tests indicate that the hierarchical structures increase the hydrophobic property significantly compared with the single-level arrays and the unstructured polymers, exhibiting superhydrophobicity (154.2 degrees) like the Tokay gecko's (160.9 degrees). The shear force tests show that the top pillars make attachment through side contact with a value of about 0.25 N/cm2, and moreover, the hierarchical structures are demonstrated to be more suitable for contacting with rough surfaces.

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

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

Fuzzy hierarchical model for risk assessment principles, concepts, and practical applications

CERN Document Server

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.

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.

Multi-scale coding of genomic information: From DNA sequence to genome structure and function

International Nuclear Information System (INIS)

Arneodo, Alain; Vaillant, Cedric; Audit, Benjamin; Argoul, Francoise; D'Aubenton-Carafa, Yves; Thermes, Claude

2011-01-01

Understanding how chromatin is spatially and dynamically organized in the nucleus of eukaryotic cells and how this affects genome functions is one of the main challenges of cell biology. Since the different orders of packaging in the hierarchical organization of DNA condition the accessibility of DNA sequence elements to trans-acting factors that control the transcription and replication processes, there is actually a wealth of structural and dynamical information to learn in the primary DNA sequence. In this review, we show that when using concepts, methodologies, numerical and experimental techniques coming from statistical mechanics and nonlinear physics combined with wavelet-based multi-scale signal processing, we are able to decipher the multi-scale sequence encoding of chromatin condensation-decondensation mechanisms that play a fundamental role in regulating many molecular processes involved in nuclear functions.

Sustainable Manufacturing via Multi-Scale, Physics-Based Process Modeling and Manufacturing-Informed Design

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.

Ranking of Business Process Simulation Software Tools with DEX/QQ Hierarchical Decision Model.

Science.gov (United States)

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.

A multiscale and multiphysics numerical framework for modelling of hygrothermal ageing in laminated composites

NARCIS (Netherlands)

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 FE² stress analysis in order to take microscopic degradation

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

Application of Hierarchical Linear Models/Linear Mixed-Effects Models in School Effectiveness Research

Science.gov (United States)

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 modeling and inference in ecology: The analysis of data from populations, metapopulations and communities

Science.gov (United States)

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.

Multiscale analysis and computation for flows in heterogeneous media

Energy Technology Data Exchange (ETDEWEB)

Efendiev, Yalchin [Texas A & M Univ., College Station, TX (United States); Hou, T. Y. [California Inst. of Technology (CalTech), Pasadena, CA (United States); Durlofsky, L. J. [Stanford Univ., CA (United States); Tchelepi, H. [Stanford Univ., CA (United States)

2016-08-04

Our work in this project is aimed at making fundamental advances in multiscale methods for flow and transport in highly heterogeneous porous media. The main thrust of this research is to develop a systematic multiscale analysis and efficient coarse-scale models that can capture global effects and extend existing multiscale approaches to problems with additional physics and uncertainties. A key emphasis is on problems without an apparent scale separation. Multiscale solution methods are currently under active investigation for the simulation of subsurface flow in heterogeneous formations. These procedures capture the effects of fine-scale permeability variations through the calculation of specialized coarse-scale basis functions. Most of the multiscale techniques presented to date employ localization approximations in the calculation of these basis functions. For some highly correlated (e.g., channelized) formations, however, global effects are important and these may need to be incorporated into the multiscale basis functions. Other challenging issues facing multiscale simulations are the extension of existing multiscale techniques to problems with additional physics, such as compressibility, capillary effects, etc. In our project, we explore the improvement of multiscale methods through the incorporation of additional (single-phase flow) information and the development of a general multiscale framework for flows in the presence of uncertainties, compressible flow and heterogeneous transport, and geomechanics. We have considered (1) adaptive local-global multiscale methods, (2) multiscale methods for the transport equation, (3) operator-based multiscale methods and solvers, (4) multiscale methods in the presence of uncertainties and applications, (5) multiscale finite element methods for high contrast porous media and their generalizations, and (6) multiscale methods for geomechanics. Below, we present a brief overview of each of these contributions.

Predicting FLDs Using a Multiscale Modeling Scheme

Science.gov (United States)

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.

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

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

Scale of association: hierarchical linear models and the measurement of ecological systems

Science.gov (United States)

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...

Multiscale Mathematical Modeling in Dental Tissue Engineering: Toward Computer-Aided Design of a Regenerative System Based on Hydroxyapatite Granules, Focussing on Early and Mid-Term Stiffness Recovery.

Science.gov (United States)

Scheiner, Stefan; Komlev, Vladimir S; Gurin, Alexey N; Hellmich, Christian

2016-01-01

We here explore for the very first time how an advanced multiscale mathematical modeling approach may support the design of a provenly successful tissue engineering concept for mandibular bone. The latter employs double-porous, potentially cracked, single millimeter-sized granules packed into an overall conglomerate-type scaffold material, which is then gradually penetrated and partially replaced by newly grown bone tissue. During this process, the newly developing scaffold-bone compound needs to attain the stiffness of mandibular bone under normal physiological conditions. In this context, the question arises how the compound stiffness is driven by the key design parameters of the tissue engineering system: macroporosity, crack density, as well as scaffold resorption/bone formation rates. We here tackle this question by combining the latest state-of-the-art mathematical modeling techniques in the field of multiscale micromechanics, into an unprecedented suite of highly efficient, semi-analytically defined computation steps resolving several levels of hierarchical organization, from the millimeter- down to the nanometer-scale. This includes several types of homogenization schemes, namely such for porous polycrystals with elongated solid elements, for cracked matrix-inclusion composites, as well as for assemblies of coated spherical compounds. Together with the experimentally known stiffnesses of hydroxyapatite crystals and mandibular bone tissue, the new mathematical model suggests that early stiffness recovery (i.e., within several weeks) requires total avoidance of microcracks in the hydroxyapatite scaffolds, while mid-term stiffness recovery (i.e., within several months) is additionally promoted by provision of small granule sizes, in combination with high bone formation and low scaffold resorption rates.

Multiscale mathematical modeling in dental tissue engineering: towards computer-aided design of a regenerative system based on hydroxyapatite granules, focusing on early and mid-term stiffness recovery

Directory of Open Access Journals (Sweden)

Stefan Scheiner

2016-09-01

Full Text Available We here explore for the very first time how an advanced multiscale mathematical modeling approach may support the design of a provenly successful tissue engineering concept for mandibular bone. The latter employs double-porous, potentially cracked, single millimeter-sized granules packed into an overall scaffold material, which is then gradually penetrated and partially replaced by newly grown bone tissue. During this process, the newly developing scaffold-bone compound needs to attain the stiffness of mandibular bone under normal physiological conditions; and the question arises how the compound stiffness is driven by the key design parameters of the tissue engineering system: macroporosity, crack density, as well as scaffold resorption/bone formation rates. We here tackle this question by combining the latest state-of-the-art mathematical modeling techniques in the field of multiscale micromechanics, into an unprecedented suite of highly efficient, semi-analytically defined computation steps resolving several levels of hierarchical organization, from the millimeter down to the nanometer scale. This includes several types of homogenization schemes, namely such for porous polycrystals with elongated solid elements, for cracked matrix-inclusion composites, as well as for assemblies of coated spherical compounds. Together with the experimentally known stiffnesses of hydroxyapatite crystals and mandibular bone tissue, the new mathematical model suggests that early stiffness recovery (i.e within several weeks requires total avoidance of microcracks in the hydroxyapatite scaffolds, while mid-term stiffness recovery (i.e. within several months can also be achieved through provision of small granule sizes, in combination with high bone formation and low scaffold resorption rates.

A multi-scale energy demand model suggests sharing market risks with intelligent energy cooperatives

NARCIS (Netherlands)

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

Multiscale Modeling of Mesoscale and Interfacial Phenomena

Science.gov (United States)

Petsev, Nikolai Dimitrov

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

Hierarchical detection of red lesions in retinal images by multiscale correlation filtering

Science.gov (United States)

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.

Micromechanics of hierarchical materials

DEFF Research Database (Denmark)

Mishnaevsky, Leon, Jr.

2012-01-01

A short overview of micromechanical models of hierarchical materials (hybrid composites, biomaterials, fractal materials, etc.) is given. Several examples of the modeling of strength and damage in hierarchical materials are summarized, among them, 3D FE model of hybrid composites...... with nanoengineered matrix, fiber bundle model of UD composites with hierarchically clustered fibers and 3D multilevel model of wood considered as a gradient, cellular material with layered composite cell walls. The main areas of research in micromechanics of hierarchical materials are identified, among them......, the investigations of the effects of load redistribution between reinforcing elements at different scale levels, of the possibilities to control different material properties and to ensure synergy of strengthening effects at different scale levels and using the nanoreinforcement effects. The main future directions...

The Revised Hierarchical Model: A critical review and assessment

NARCIS (Netherlands)

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

2010-01-01

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

Hierarchical modeling of cluster size in wildlife surveys

Science.gov (United States)

Royle, J. Andrew

2008-01-01

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

Programming Hierarchical Self-Assembly of Patchy Particles into Colloidal Crystals via Colloidal Molecules.

Science.gov (United States)

Morphew, Daniel; Shaw, James; Avins, Christopher; Chakrabarti, Dwaipayan

2018-03-27

Colloidal self-assembly is a promising bottom-up route to a wide variety of three-dimensional structures, from clusters to crystals. Programming hierarchical self-assembly of colloidal building blocks, which can give rise to structures ordered at multiple levels to rival biological complexity, poses a multiscale design problem. Here we explore a generic design principle that exploits a hierarchy of interaction strengths and employ this design principle in computer simulations to demonstrate the hierarchical self-assembly of triblock patchy colloidal particles into two distinct colloidal crystals. We obtain cubic diamond and body-centered cubic crystals via distinct clusters of uniform size and shape, namely, tetrahedra and octahedra, respectively. Such a conceptual design framework has the potential to reliably encode hierarchical self-assembly of colloidal particles into a high level of sophistication. Moreover, the design framework underpins a bottom-up route to cubic diamond colloidal crystals, which have remained elusive despite being much sought after for their attractive photonic applications.

Physics-based hybrid method for multiscale transport in porous media

Science.gov (United States)

Yousefzadeh, Mehrdad; Battiato, Ilenia

2017-09-01

Despite advancements in the development of multiscale models for flow and reactive transport in porous media, the accurate, efficient and physics-based coupling of multiple scales in hybrid models remains a major theoretical and computational challenge. Improving the predictivity of macroscale predictions by means of multiscale algorithms relative to classical at-scale models is the primary motivation for the development of multiscale simulators. Yet, very few are the quantitative studies that explicitly address the predictive capability of multiscale coupling algorithms as it is still generally not possible to have a priori estimates of the errors that are present when complex flow processes are modeled. We develop a nonintrusive pore-/continuum-scale hybrid model whose coupling error is bounded by the upscaling error, i.e. we build a predictive tightly coupled multiscale scheme. This is accomplished by slightly enlarging the subdomain where continuum-scale equations are locally invalid and analytically defining physics-based coupling conditions at the interfaces separating the two computational sub-domains, while enforcing state variable and flux continuity. The proposed multiscale coupling approach retains the advantages of domain decomposition approaches, including the use of existing solvers for each subdomain, while it gains flexibility in the choice of the numerical discretization method and maintains the coupling errors bounded by the upscaling error. We implement the coupling in finite volumes and test the proposed method by modeling flow and transport through a reactive channel and past an array of heterogeneously reactive cylinders.

Multiscale Modeling of UHTC: Thermal Conductivity

Science.gov (United States)

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

2012-01-01

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

Introduction to Hierarchical Bayesian Modeling for Ecological Data

CERN Document Server

Parent, Eric

2012-01-01

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

Multiscale methods in computational fluid and solid mechanics

NARCIS (Netherlands)

Borst, de R.; Hulshoff, S.J.; Lenz, S.; Munts, E.A.; Brummelen, van E.H.; Wall, W.; Wesseling, P.; Onate, E.; Periaux, J.

2006-01-01

First, an attempt is made towards gaining a more systematic understanding of recent progress in multiscale modelling in computational solid and fluid mechanics. Sub- sequently, the discussion is focused on variational multiscale methods for the compressible and incompressible Navier-Stokes

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

A HIERARCHICAL SET OF MODELS FOR SPECIES RESPONSE ANALYSIS

NARCIS (Netherlands)

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

NARCIS (Netherlands)

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

Statistical shear lag model - unraveling the size effect in hierarchical composites.

Science.gov (United States)

Wei, Xiaoding; Filleter, Tobin; Espinosa, Horacio D

2015-05-01

Numerous experimental and computational studies have established that the hierarchical structures encountered in natural materials, such as the brick-and-mortar structure observed in sea shells, are essential for achieving defect tolerance. Due to this hierarchy, the mechanical properties of natural materials have a different size dependence compared to that of typical engineered materials. This study aimed to explore size effects on the strength of bio-inspired staggered hierarchical composites and to define the influence of the geometry of constituents in their outstanding defect tolerance capability. A statistical shear lag model is derived by extending the classical shear lag model to account for the statistics of the constituents' strength. A general solution emerges from rigorous mathematical derivations, unifying the various empirical formulations for the fundamental link length used in previous statistical models. The model shows that the staggered arrangement of constituents grants composites a unique size effect on mechanical strength in contrast to homogenous continuous materials. The model is applied to hierarchical yarns consisting of double-walled carbon nanotube bundles to assess its predictive capabilities for novel synthetic materials. Interestingly, the model predicts that yarn gauge length does not significantly influence the yarn strength, in close agreement with experimental observations. Copyright © 2015 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

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....

Multiscale and Multiphysics Modeling of Additive Manufacturing of Advanced Materials

Science.gov (United States)

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

2015-01-01

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

A Hierarchical Linear Model for Estimating Gender-Based Earnings Differentials.

Science.gov (United States)

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)

Multiscale Modeling of a Conditionally Disordered pH-Sensing Chaperone

OpenAIRE

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...

Multiscale approach including microfibril scale to assess elastic constants of cortical bone based on neural network computation and homogenization method.

Science.gov (United States)

Barkaoui, Abdelwahed; Chamekh, Abdessalem; Merzouki, Tarek; Hambli, Ridha; Mkaddem, Ali

2014-03-01

The complexity and heterogeneity of bone tissue require a multiscale modeling to understand its mechanical behavior and its remodeling mechanisms. In this paper, a novel multiscale hierarchical approach including microfibril scale based on hybrid neural network (NN) computation and homogenization equations was developed to link nanoscopic and macroscopic scales to estimate the elastic properties of human cortical bone. The multiscale model is divided into three main phases: (i) in step 0, the elastic constants of collagen-water and mineral-water composites are calculated by averaging the upper and lower Hill bounds; (ii) in step 1, the elastic properties of the collagen microfibril are computed using a trained NN simulation. Finite element calculation is performed at nanoscopic levels to provide a database to train an in-house NN program; and (iii) in steps 2-10 from fibril to continuum cortical bone tissue, homogenization equations are used to perform the computation at the higher scales. The NN outputs (elastic properties of the microfibril) are used as inputs for the homogenization computation to determine the properties of mineralized collagen fibril. The mechanical and geometrical properties of bone constituents (mineral, collagen, and cross-links) as well as the porosity were taken in consideration. This paper aims to predict analytically the effective elastic constants of cortical bone by modeling its elastic response at these different scales, ranging from the nanostructural to mesostructural levels. Our findings of the lowest scale's output were well integrated with the other higher levels and serve as inputs for the next higher scale modeling. Good agreement was obtained between our predicted results and literature data. Copyright © 2013 John Wiley & Sons, Ltd.

Slow logarithmic relaxation in models with hierarchically constrained dynamics

OpenAIRE

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.

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

A Novel Multiscale Ensemble Carbon Price Prediction Model Integrating Empirical Mode Decomposition, Genetic Algorithm and Artificial Neural Network

Directory of Open Access Journals (Sweden)

Bangzhu Zhu

2012-02-01

Full Text Available Due to the movement and complexity of the carbon market, traditional monoscale forecasting approaches often fail to capture its nonstationary and nonlinear properties and accurately describe its moving tendencies. In this study, a multiscale ensemble forecasting model integrating empirical mode decomposition (EMD, genetic algorithm (GA and artificial neural network (ANN is proposed to forecast carbon price. Firstly, the proposed model uses EMD to decompose carbon price data into several intrinsic mode functions (IMFs and one residue. Then, the IMFs and residue are composed into a high frequency component, a low frequency component and a trend component which have similar frequency characteristics, simple components and strong regularity using the fine-to-coarse reconstruction algorithm. Finally, those three components are predicted using an ANN trained by GA, i.e., a GAANN model, and the final forecasting results can be obtained by the sum of these three forecasting results. For verification and testing, two main carbon future prices with different maturity in the European Climate Exchange (ECX are used to test the effectiveness of the proposed multiscale ensemble forecasting model. Empirical results obtained demonstrate that the proposed multiscale ensemble forecasting model can outperform the single random walk (RW, ARIMA, ANN and GAANN models without EMD preprocessing and the ensemble ARIMA model with EMD preprocessing.

Multiscale modeling of three-dimensional genome

Science.gov (United States)

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.

Determining Predictor Importance in Hierarchical Linear Models Using Dominance Analysis

Science.gov (United States)

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…

Analysis of Error Propagation Within Hierarchical Air Combat Models

Science.gov (United States)

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

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

Industrial process system assessment: bridging process engineering and life cycle assessment through multiscale modeling.

Science.gov (United States)

The Industrial Process System Assessment (IPSA) methodology is a multiple step allocation approach for connecting information from the production line level up to the facility level and vice versa using a multiscale model of process systems. The allocation procedure assigns inpu...

Multiscale Simulation Framework for Coupled Fluid Flow and Mechanical Deformation

Energy Technology Data Exchange (ETDEWEB)

Hou, Thomas [California Inst. of Technology (CalTech), Pasadena, CA (United States); Efendiev, Yalchin [Stanford Univ., CA (United States); Tchelepi, Hamdi [Texas A & M Univ., College Station, TX (United States); Durlofsky, Louis [Stanford Univ., CA (United States)

2016-05-24

Our work in this project is aimed at making fundamental advances in multiscale methods for flow and transport in highly heterogeneous porous media. The main thrust of this research is to develop a systematic multiscale analysis and efficient coarse-scale models that can capture global effects and extend existing multiscale approaches to problems with additional physics and uncertainties. A key emphasis is on problems without an apparent scale separation. Multiscale solution methods are currently under active investigation for the simulation of subsurface flow in heterogeneous formations. These procedures capture the effects of fine-scale permeability variations through the calculation of specialized coarse-scale basis functions. Most of the multiscale techniques presented to date employ localization approximations in the calculation of these basis functions. For some highly correlated (e.g., channelized) formations, however, global effects are important and these may need to be incorporated into the multiscale basis functions. Other challenging issues facing multiscale simulations are the extension of existing multiscale techniques to problems with additional physics, such as compressibility, capillary effects, etc. In our project, we explore the improvement of multiscale methods through the incorporation of additional (single-phase flow) information and the development of a general multiscale framework for flows in the presence of uncertainties, compressible flow and heterogeneous transport, and geomechanics. We have considered (1) adaptive local-global multiscale methods, (2) multiscale methods for the transport equation, (3) operator-based multiscale methods and solvers, (4) multiscale methods in the presence of uncertainties and applications, (5) multiscale finite element methods for high contrast porous media and their generalizations, and (6) multiscale methods for geomechanics.

Multi-subject hierarchical inverse covariance modelling improves estimation of functional brain networks.

Science.gov (United States)

Colclough, Giles L; Woolrich, Mark W; Harrison, Samuel J; Rojas López, Pedro A; Valdes-Sosa, Pedro A; Smith, Stephen M

2018-05-07

A Bayesian model for sparse, hierarchical inverse covariance estimation is presented, and applied to multi-subject functional connectivity estimation in the human brain. It enables simultaneous inference of the strength of connectivity between brain regions at both subject and population level, and is applicable to fmri, meg and eeg data. Two versions of the model can encourage sparse connectivity, either using continuous priors to suppress irrelevant connections, or using an explicit description of the network structure to estimate the connection probability between each pair of regions. A large evaluation of this model, and thirteen methods that represent the state of the art of inverse covariance modelling, is conducted using both simulated and resting-state functional imaging datasets. Our novel Bayesian approach has similar performance to the best extant alternative, Ng et al.'s Sparse Group Gaussian Graphical Model algorithm, which also is based on a hierarchical structure. Using data from the Human Connectome Project, we show that these hierarchical models are able to reduce the measurement error in meg beta-band functional networks by 10%, producing concomitant increases in estimates of the genetic influence on functional connectivity. Copyright © 2018. Published by Elsevier Inc.

Three-Phase Carbon Fiber Amine Functionalized Carbon Nanotubes Epoxy Composite: Processing, Characterisation, and Multiscale Modeling

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.

Information Management Workflow and Tools Enabling Multiscale Modeling Within ICME Paradigm

Science.gov (United States)

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.

A Multiscale Finite Element Model Validation Method of Composite Cable-Stayed Bridge Based on Structural Health Monitoring System

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.

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

Science.gov (United States)

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.

A mathematical framework for multiscale science and engineering: the variational multiscale method and interscale transfer operators

International Nuclear Information System (INIS)

Shadid, John Nicolas; Lehoucq, Richard B.; Christon, Mark Allen; Slepoy, Alexander; Bochev, Pavel Blagoveston; Collis, Samuel Scott; Wagner, Gregory John

2004-01-01

Existing approaches in multiscale science and engineering have evolved from a range of ideas and solutions that are reflective of their original problem domains. As a result, research in multiscale science has followed widely diverse and disjoint paths, which presents a barrier to cross pollination of ideas and application of methods outside their application domains. The status of the research environment calls for an abstract mathematical framework that can provide a common language to formulate and analyze multiscale problems across a range of scientific and engineering disciplines. In such a framework, critical common issues arising in multiscale problems can be identified, explored and characterized in an abstract setting. This type of overarching approach would allow categorization and clarification of existing models and approximations in a landscape of seemingly disjoint, mutually exclusive and ad hoc methods. More importantly, such an approach can provide context for both the development of new techniques and their critical examination. As with any new mathematical framework, it is necessary to demonstrate its viability on problems of practical importance. At Sandia, lab-centric, prototype application problems in fluid mechanics, reacting flows, magnetohydrodynamics (MHD), shock hydrodynamics and materials science span an important subset of DOE Office of Science applications and form an ideal proving ground for new approaches in multiscale science.

Comparison of single- and multi-scale models for the prediction of the Culicoides biting midge distribution in Germany

Directory of Open Access Journals (Sweden)

Renke Lühken

2016-05-01

Full Text Available This study analysed Culicoides presence-absence data from 46 sampling sites in Germany, where monitoring was carried out from April 2007 until May 2008. Culicoides presence-absence data were analysed in relation to land cover data, in order to study whether the prevalence of biting midges is correlated to land cover data with respect to the trapping sites. We differentiated eight scales, i.e. buffer zones with radii of 0.5, 1, 2, 3, 4, 5, 7.5 and 10 km, around each site, and chose several land cover variables. For each species, we built eight single-scale models (i.e. predictor variables from one of the eight scales for each model based on averaged, generalised linear models and two multiscale models (i.e. predictor variables from all of the eight scales based on averaged, generalised linear models and generalised linear models with random forest variable selection. There were no significant differences between performance indicators of models built with land cover data from different buffer zones around the trapping sites. However, the overall performance of multi-scale models was higher than the alternatives. Furthermore, these models mostly achieved the best performance for the different species using the index area under the receiver operating characteristic curve. However, as also presented in this study, the relevance of the different variables could significantly differ between various scales, including the number of species affected and the positive or negative direction. This is an even more severe problem if multi-scale models are concerned, in which one model can have the same variable at different scales but with different directions, i.e. negative and positive direction of the same variable at different scales. However, multi-scale modelling is a promising approach to model the distribution of Culicoides species, accounting much more for the ecology of biting midges, which uses different resources (breeding sites, hosts, etc. at

Recognizing Chinese characters in digital ink from non-native language writers using hierarchical models

Science.gov (United States)

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.

Development and application of a multiscale model for the magnetic fusion edge plasma region

International Nuclear Information System (INIS)

Hasenbeck, Felix Martin Michael

2016-01-01

Plasma edge particle and energy transport perpendicular to the magnetic field plays a decisive role for the performance and lifetime of a magnetic fusion reactor. For the particles, classical and neoclassical theories underestimate the associated radial transport by at least an order of magnitude. Drift fluid models, including mesoscale processes on scales down to tenths of millimeters and microseconds, account for the experimentally found level of radial transport; however, numerical simulations for typical reactor scales (of the order of seconds and centimeters) are computationally very expensive. Large scale code simulations are less costly but usually lack an adequate model for the radial transport. The multiscale model presented in this work aims at improving the description of radial particle transport in large scale codes by including the effects of averaged local drift fluid dynamics on the macroscale profiles. The multiscale balances are derived from a generic multiscale model for a fluid, using the Braginskii closure for a collisional, magnetized plasma, and the assumptions of the B2 code model (macroscale balances) and the model of the local version of the drift fluid code ATTEMPT (mesoscale balances). A combined concurrent-sequential coupling procedure is developed for the implementation of the multiscale model within a coupled code system. An algorithm for the determination of statistically stationary states and adequate averaging intervals for the mesoscale data is outlined and tested, proving that it works consistently and efficiently. The general relation between mesoscale and macroscale dynamics is investigated exemplarily by means of a passive scalar system. While mesoscale processes are convective in this system, earlier studies for small Kubo numbers K<<1 have shown that the macroscale behavior is diffusive. In this work it is demonstrated by numerical experiments that also in the regime of large Kubo numbers K<<1 the macroscale transport

Development and application of a multiscale model for the magnetic fusion edge plasma region

Energy Technology Data Exchange (ETDEWEB)

Hasenbeck, Felix Martin Michael

2016-07-01

Plasma edge particle and energy transport perpendicular to the magnetic field plays a decisive role for the performance and lifetime of a magnetic fusion reactor. For the particles, classical and neoclassical theories underestimate the associated radial transport by at least an order of magnitude. Drift fluid models, including mesoscale processes on scales down to tenths of millimeters and microseconds, account for the experimentally found level of radial transport; however, numerical simulations for typical reactor scales (of the order of seconds and centimeters) are computationally very expensive. Large scale code simulations are less costly but usually lack an adequate model for the radial transport. The multiscale model presented in this work aims at improving the description of radial particle transport in large scale codes by including the effects of averaged local drift fluid dynamics on the macroscale profiles. The multiscale balances are derived from a generic multiscale model for a fluid, using the Braginskii closure for a collisional, magnetized plasma, and the assumptions of the B2 code model (macroscale balances) and the model of the local version of the drift fluid code ATTEMPT (mesoscale balances). A combined concurrent-sequential coupling procedure is developed for the implementation of the multiscale model within a coupled code system. An algorithm for the determination of statistically stationary states and adequate averaging intervals for the mesoscale data is outlined and tested, proving that it works consistently and efficiently. The general relation between mesoscale and macroscale dynamics is investigated exemplarily by means of a passive scalar system. While mesoscale processes are convective in this system, earlier studies for small Kubo numbers K<<1 have shown that the macroscale behavior is diffusive. In this work it is demonstrated by numerical experiments that also in the regime of large Kubo numbers K<<1 the macroscale transport

Control of discrete event systems modeled as hierarchical state machines

Science.gov (United States)

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 feature selection for erythema severity estimation

Science.gov (United States)

Wang, Li; Shi, Chenbo; Shu, Chang

2014-10-01

At present PASI system of scoring is used for evaluating erythema severity, which can help doctors to diagnose psoriasis [1-3]. The system relies on the subjective judge of doctors, where the accuracy and stability cannot be guaranteed [4]. This paper proposes a stable and precise algorithm for erythema severity estimation. Our contributions are twofold. On one hand, in order to extract the multi-scale redness of erythema, we design the hierarchical feature. Different from traditional methods, we not only utilize the color statistical features, but also divide the detect window into small window and extract hierarchical features. Further, a feature re-ranking step is introduced, which can guarantee that extracted features are irrelevant to each other. On the other hand, an adaptive boosting classifier is applied for further feature selection. During the step of training, the classifier will seek out the most valuable feature for evaluating erythema severity, due to its strong learning ability. Experimental results demonstrate the high precision and robustness of our algorithm. The accuracy is 80.1% on the dataset which comprise 116 patients' images with various kinds of erythema. Now our system has been applied for erythema medical efficacy evaluation in Union Hosp, China.

Application of hierarchical genetic models to Raven and WAIS subtests: a Dutch twin study.

Science.gov (United States)

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 mechanical model of biomimetic adhesive pads with tilted and hierarchical structures.

Science.gov (United States)

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

A Physiologically Based, Multi-Scale Model of Skeletal Muscle Structure and Function

Science.gov (United States)

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.

Multiscale landscape genomic models to detect signatures of selection in the alpine plant Biscutella laevigata.

Science.gov (United States)

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.

Polynomial Chaos Characterization of Uncertainty in Multiscale Models and Behavior of Carbon Reinforced Composites

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.

Multi-Scale Parameter Identification of Lithium-Ion Battery Electric Models Using a PSO-LM Algorithm

Directory of Open Access Journals (Sweden)

Wen-Jing Shen

2017-03-01

Full Text Available This paper proposes a multi-scale parameter identification algorithm for the lithium-ion battery (LIB electric model by using a combination of particle swarm optimization (PSO and Levenberg-Marquardt (LM algorithms. Two-dimensional Poisson equations with unknown parameters are used to describe the potential and current density distribution (PDD of the positive and negative electrodes in the LIB electric model. The model parameters are difficult to determine in the simulation due to the nonlinear complexity of the model. In the proposed identification algorithm, PSO is used for the coarse-scale parameter identification and the LM algorithm is applied for the fine-scale parameter identification. The experiment results show that the multi-scale identification not only improves the convergence rate and effectively escapes from the stagnation of PSO, but also overcomes the local minimum entrapment drawback of the LM algorithm. The terminal voltage curves from the PDD model with the identified parameter values are in good agreement with those from the experiments at different discharge/charge rates.

Residual-driven online generalized multiscale finite element methods

KAUST Repository

Chung, Eric T.

2015-09-08

The construction of local reduced-order models via multiscale basis functions has been an area of active research. In this paper, we propose online multiscale basis functions which are constructed using the offline space and the current residual. Online multiscale basis functions are constructed adaptively in some selected regions based on our error indicators. We derive an error estimator which shows that one needs to have an offline space with certain properties to guarantee that additional online multiscale basis function will decrease the error. This error decrease is independent of physical parameters, such as the contrast and multiple scales in the problem. The offline spaces are constructed using Generalized Multiscale Finite Element Methods (GMsFEM). We show that if one chooses a sufficient number of offline basis functions, one can guarantee that additional online multiscale basis functions will reduce the error independent of contrast. We note that the construction of online basis functions is motivated by the fact that the offline space construction does not take into account distant effects. Using the residual information, we can incorporate the distant information provided the offline approximation satisfies certain properties. In the paper, theoretical and numerical results are presented. Our numerical results show that if the offline space is sufficiently large (in terms of the dimension) such that the coarse space contains all multiscale spectral basis functions that correspond to small eigenvalues, then the error reduction by adding online multiscale basis function is independent of the contrast. We discuss various ways computing online multiscale basis functions which include a use of small dimensional offline spaces.

A generalized linear factor model approach to the hierarchical framework for responses and response times.

Science.gov (United States)

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.

Metastable states in the hierarchical Dyson model drive parallel processing in the hierarchical Hopfield network

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

Three-dimensional direct numerical simulation of electromagnetically driven multiscale shallow layer flows: Numerical modeling and physical properties

Science.gov (United States)

Lardeau, Sylvain; Ferrari, Simone; Rossi, Lionel

2008-12-01

Three-dimensional (3D) direct numerical simulations of a flow driven by multiscale electromagnetic forcing are performed in order to reproduce with maximum accuracy the quasi-two-dimensional (2D) flow generated by the same multiscale forcing in the laboratory. The method presented is based on a 3D description of the flow and the electromagnetic forcing. Very good agreements between our simulations and the experiments are found both on velocity and acceleration field, this last comparison being, to our knowledge, done for the first time. Such agreement requires that both experiments and simulations are carefully performed and, more importantly, that the underlying simplification to model the experiments and the multiscale electromagnetic forcing do not introduce significant errors. The results presented in this paper differ significantly from previous 2D direct numerical simulation in which a classical linear Rayleigh friction modeling term was used to mimic the effect of the wall-normal friction. Indeed, purely 2D simulations are found to underestimate the Reynolds number and, due to the dominance of nonhomogeneous bottom friction, lead to the wrong physical mechanism. For the range of conditions presented in this paper, the Reynolds number, defined by the ratio between acceleration and viscous terms, remains the order of unity, and the Hartmann number, defined by the ratio between electromagnetic force terms and viscous terms, is about 2. The main conclusion is that 3D simulations are required to model the (3D) electromagnetic forces and the wall-normal shear. Indeed, even if the flow is quasi-2D in terms of energy, a full 3D approach is required to simulate these shallow layer flows driven by multiscale electromagnetic forcing. In the range of forcing intensity investigated in this paper, these multiscale flows remain quasi-2D, with negligible energy in the wall-normal velocity component. It is also shown that the driving terms are the electromagnetic forcing and

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...

Multiscale modeling of dislocation processes in BCC tantalum: bridging atomistic and mesoscale simulations

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

Galactic chemical evolution in hierarchical formation models

Science.gov (United States)

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.

A Hierarchical Agency Model of Deposit Insurance

OpenAIRE

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...

Shaken but not stirred: Multiscale habitat suitability modeling of sympatric marten species (Martes martes and Martes foina) in the northern Iberian Peninsula

Science.gov (United States)

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...

Aerosol-cloud interactions in a multi-scale modeling framework

Science.gov (United States)

Lin, G.; Ghan, S. J.

2017-12-01

Atmospheric aerosols play an important role in changing the Earth's climate through scattering/absorbing solar and terrestrial radiation and interacting with clouds. However, quantification of the aerosol effects remains one of the most uncertain aspects of current and future climate projection. Much of the uncertainty results from the multi-scale nature of aerosol-cloud interactions, which is very challenging to represent in traditional global climate models (GCMs). In contrast, the multi-scale modeling framework (MMF) provides a viable solution, which explicitly resolves the cloud/precipitation in the cloud resolved model (CRM) embedded in the GCM grid column. In the MMF version of community atmospheric model version 5 (CAM5), aerosol processes are treated with a parameterization, called the Explicit Clouds Parameterized Pollutants (ECPP). It uses the cloud/precipitation statistics derived from the CRM to treat the cloud processing of aerosols on the GCM grid. However, this treatment treats clouds on the CRM grid but aerosols on the GCM grid, which is inconsistent with the reality that cloud-aerosol interactions occur on the cloud scale. To overcome the limitation, here, we propose a new aerosol treatment in the MMF: Explicit Clouds Explicit Aerosols (ECEP), in which we resolve both clouds and aerosols explicitly on the CRM grid. We first applied the MMF with ECPP to the Accelerated Climate Modeling for Energy (ACME) model to have an MMF version of ACME. Further, we also developed an alternative version of ACME-MMF with ECEP. Based on these two models, we have conducted two simulations: one with the ECPP and the other with ECEP. Preliminary results showed that the ECEP simulations tend to predict higher aerosol concentrations than ECPP simulations, because of the more efficient vertical transport from the surface to the higher atmosphere but the less efficient wet removal. We also found that the cloud droplet number concentrations are also different between the

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

Multiscale Phase Inversion of Seismic Data

KAUST Repository

Fu, Lei

2017-12-02

We present a scheme for multiscale phase inversion (MPI) of seismic data that is less sensitive to the unmodeled physics of wave propagation and a poor starting model than standard full waveform inversion (FWI). To avoid cycle-skipping, the multiscale strategy temporally integrates the traces several times, i.e. high-order integration, to produce low-boost seismograms that are used as input data for the initial iterations of MPI. As the iterations proceed, higher frequencies in the data are boosted by using integrated traces of lower order as the input data. The input data are also filtered into different narrow frequency bands for the MPI implementation. At low frequencies, we show that MPI with windowed reflections approximates wave equation inversion of the reflection traveltimes, except no traveltime picking is needed. Numerical results with synthetic acoustic data show that MPI is more robust than conventional multiscale FWI when the initial model is far from the true model. Results from synthetic viscoacoustic and elastic data show that MPI is less sensitive than FWI to some of the unmodeled physics. Inversion of marine data shows that MPI is more robust and produces modestly more accurate results than FWI for this data set.

Bi-dimension decomposed hidden Markov models for multi-person activity recognition

Institute of Scientific and Technical Information of China (English)

Wei-dong ZHANG; Feng CHEN; Wen-li XU

2009-01-01

We present a novel model for recognizing long-term complex activities involving multiple persons. The proposed model, named 'decomposed hidden Markov model' (DHMM), combines spatial decomposition and hierarchical abstraction to capture multi-modal, long-term dependent and multi-scale characteristics of activities. Decomposition in space and time offers conceptual advantages of compaction and clarity, and greatly reduces the size of state space as well as the number of parameters.DHMMs are efficient even when the number of persons is variable. We also introduce an efficient approximation algorithm for inference and parameter estimation. Experiments on multi-person activities and multi-modal individual activities demonstrate that DHMMs are more efficient and reliable than familiar models, such as coupled HMMs, hierarchical HMMs, and multi-observation HMMs.

Multi-Scale Modeling of an Integrated 3D Braided Composite with Applications to Helicopter Arm

Science.gov (United States)

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.

A hierarchical modeling methodology for the definition and selection of requirements

Science.gov (United States)

Dufresne, Stephane

This dissertation describes the development of a requirements analysis methodology that takes into account the concept of operations and the hierarchical decomposition of aerospace systems. At the core of the methodology, the Analytic Network Process (ANP) is used to ensure the traceability between the qualitative and quantitative information present in the hierarchical model. The proposed methodology is implemented to the requirements definition of a hurricane tracker Unmanned Aerial Vehicle. Three research objectives are identified in this work; (1) improve the requirements mapping process by matching the stakeholder expectations with the concept of operations, systems and available resources; (2) reduce the epistemic uncertainty surrounding the requirements and requirements mapping; and (3) improve the requirements down-selection process by taking into account the level of importance of the criteria and the available resources. Several challenges are associated with the identification and definition of requirements. The complexity of the system implies that a large number of requirements are needed to define the systems. These requirements are defined early in the conceptual design, where the level of knowledge is relatively low and the level of uncertainty is large. The proposed methodology intends to increase the level of knowledge and reduce the level of uncertainty by guiding the design team through a structured process. To address these challenges, a new methodology is created to flow-down the requirements from the stakeholder expectations to the systems alternatives. A taxonomy of requirements is created to classify the information gathered during the problem definition. Subsequently, the operational and systems functions and measures of effectiveness are integrated to a hierarchical model to allow the traceability of the information. Monte Carlo methods are used to evaluate the variations of the hierarchical model elements and consequently reduce the

Internet advertising effectiveness by using hierarchical model

OpenAIRE

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...

Multi-scale damage modelling in a ceramic matrix composite using a finite-element microstructure meshfree methodology

Science.gov (United States)

2016-01-01

The problem of multi-scale modelling of damage development in a SiC ceramic fibre-reinforced SiC matrix ceramic composite tube is addressed, with the objective of demonstrating the ability of the finite-element microstructure meshfree (FEMME) model to introduce important aspects of the microstructure into a larger scale model of the component. These are particularly the location, orientation and geometry of significant porosity and the load-carrying capability and quasi-brittle failure behaviour of the fibre tows. The FEMME model uses finite-element and cellular automata layers, connected by a meshfree layer, to efficiently couple the damage in the microstructure with the strain field at the component level. Comparison is made with experimental observations of damage development in an axially loaded composite tube, studied by X-ray computed tomography and digital volume correlation. Recommendations are made for further development of the model to achieve greater fidelity to the microstructure. This article is part of the themed issue ‘Multiscale modelling of the structural integrity of composite materials’. PMID:27242308

A Hierarchical Modeling for Reactive Power Optimization With Joint Transmission and Distribution Networks by Curve Fitting

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....

An Analysis of Turkey's PISA 2015 Results Using Two-Level Hierarchical Linear Modelling

Science.gov (United States)

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,…

A sow replacement model using Bayesian updating in a three-level hierarchic Markov process. I. Biological model

DEFF Research Database (Denmark)

Kristensen, Anders Ringgaard; Søllested, Thomas Algot

2004-01-01

that really uses all these methodological improvements. In this paper, the biological model describing the performance and feed intake of sows is presented. In particular, estimation of herd specific parameters is emphasized. The optimization model is described in a subsequent paper......Several replacement models have been presented in literature. In other applicational areas like dairy cow replacement, various methodological improvements like hierarchical Markov processes and Bayesian updating have been implemented, but not in sow models. Furthermore, there are methodological...... improvements like multi-level hierarchical Markov processes with decisions on multiple time scales, efficient methods for parameter estimations at herd level and standard software that has been hardly implemented at all in any replacement model. The aim of this study is to present a sow replacement model...

Efficient Actor-Critic Algorithm with Hierarchical Model Learning and Planning

Science.gov (United States)

Fu, QiMing

2016-01-01

To improve the convergence rate and the sample efficiency, two efficient learning methods AC-HMLP and RAC-HMLP (AC-HMLP with ℓ 2-regularization) are proposed by combining actor-critic algorithm with hierarchical model learning and planning. The hierarchical models consisting of the local and the global models, which are learned at the same time during learning of the value function and the policy, are approximated by local linear regression (LLR) and linear function approximation (LFA), respectively. Both the local model and the global model are applied to generate samples for planning; the former is used only if the state-prediction error does not surpass the threshold at each time step, while the latter is utilized at the end of each episode. The purpose of taking both models is to improve the sample efficiency and accelerate the convergence rate of the whole algorithm through fully utilizing the local and global information. Experimentally, AC-HMLP and RAC-HMLP are compared with three representative algorithms on two Reinforcement Learning (RL) benchmark problems. The results demonstrate that they perform best in terms of convergence rate and sample efficiency. PMID:27795704

A sow replacement model using Bayesian updating in a three-level hierarchic Markov process. II. Optimization model

DEFF Research Database (Denmark)

Kristensen, Anders Ringgaard; Søllested, Thomas Algot

2004-01-01

improvements. The biological model of the replacement model is described in a previous paper and in this paper the optimization model is described. The model is developed as a prototype for use under practical conditions. The application of the model is demonstrated using data from two commercial Danish sow......Recent methodological improvements in replacement models comprising multi-level hierarchical Markov processes and Bayesian updating have hardly been implemented in any replacement model and the aim of this study is to present a sow replacement model that really uses these methodological...... herds. It is concluded that the Bayesian updating technique and the hierarchical structure decrease the size of the state space dramatically. Since parameter estimates vary considerably among herds it is concluded that decision support concerning sow replacement only makes sense with parameters...

Hierarchical model generation for architecture reconstruction using laser-scanned point clouds

Science.gov (United States)

Ning, Xiaojuan; Wang, Yinghui; Zhang, Xiaopeng

2014-06-01

Architecture reconstruction using terrestrial laser scanner is a prevalent and challenging research topic. We introduce an automatic, hierarchical architecture generation framework to produce full geometry of architecture based on a novel combination of facade structures detection, detailed windows propagation, and hierarchical model consolidation. Our method highlights the generation of geometric models automatically fitting the design information of the architecture from sparse, incomplete, and noisy point clouds. First, the planar regions detected in raw point clouds are interpreted as three-dimensional clusters. Then, the boundary of each region extracted by projecting the points into its corresponding two-dimensional plane is classified to obtain detailed shape structure elements (e.g., windows and doors). Finally, a polyhedron model is generated by calculating the proposed local structure model, consolidated structure model, and detailed window model. Experiments on modeling the scanned real-life buildings demonstrate the advantages of our method, in which the reconstructed models not only correspond to the information of architectural design accurately, but also satisfy the requirements for visualization and analysis.

On a multiscale approach for filter efficiency simulations

KAUST Repository

Iliev, Oleg

2014-07-01

Filtration in general, and the dead end depth filtration of solid particles out of fluid in particular, is intrinsic multiscale problem. The deposition (capturing of particles) essentially depends on local velocity, on microgeometry (pore scale geometry) of the filtering medium and on the diameter distribution of the particles. The deposited (captured) particles change the microstructure of the porous media what leads to change of permeability. The changed permeability directly influences the velocity field and pressure distribution inside the filter element. To close the loop, we mention that the velocity influences the transport and deposition of particles. In certain cases one can evaluate the filtration efficiency considering only microscale or only macroscale models, but in general an accurate prediction of the filtration efficiency requires multiscale models and algorithms. This paper discusses the single scale and the multiscale models, and presents a fractional time step discretization algorithm for the multiscale problem. The velocity within the filter element is computed at macroscale, and is used as input for the solution of microscale problems at selected locations of the porous medium. The microscale problem is solved with respect to transport and capturing of individual particles, and its solution is postprocessed to provide permeability values for macroscale computations. Results from computational experiments with an oil filter are presented and discussed.

Addressing the multi-scale lapsus of landscape : multi-scale landscape process modelling to support sustainable land use : a case study for the Lower Guadalhorce valley South Spain

NARCIS (Netherlands)

Schoorl, J.M.

2002-01-01

"Addressing the Multi-scale Lapsus of Landscape" with the sub-title "Multi-scale landscape process modelling to support sustainable land use: A case study for the Lower Guadalhorce valley South Spain" focuses on the role of