Implementation of Grid-computing Framework for Simulation in Multi-scale Structural Analysis

Directory of Open Access Journals (Sweden)

Data Iranata

2010-05-01

Full Text Available A new grid-computing framework for simulation in multi-scale structural analysis is presented. Two levels of parallel processing will be involved in this framework: multiple local distributed computing environments connected by local network to form a grid-based cluster-to-cluster distributed computing environment. To successfully perform the simulation, a large-scale structural system task is decomposed into the simulations of a simplified global model and several detailed component models using various scales. These correlated multi-scale structural system tasks are distributed among clusters and connected together in a multi-level hierarchy and then coordinated over the internet. The software framework for supporting the multi-scale structural simulation approach is also presented. The program architecture design allows the integration of several multi-scale models as clients and servers under a single platform. To check its feasibility, a prototype software system has been designed and implemented to perform the proposed concept. The simulation results show that the software framework can increase the speedup performance of the structural analysis. Based on this result, the proposed grid-computing framework is suitable to perform the simulation of the multi-scale structural analysis.

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

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.

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

2nd International Conference on Multiscale Computational Methods for Solids and Fluids

CERN Document Server

2016-01-01

This volume contains the best papers presented at the 2nd ECCOMAS International Conference on Multiscale Computations for Solids and Fluids, held June 10-12, 2015. Topics dealt with include multiscale strategy for efficient development of scientific software for large-scale computations, coupled probability-nonlinear-mechanics problems and solution methods, and modern mathematical and computational setting for multi-phase flows and fluid-structure interaction. The papers consist of contributions by six experts who taught short courses prior to the conference, along with several selected articles from other participants dealing with complementary issues, covering both solid mechanics and applied mathematics. .

Revisiting of Multiscale Static Analysis of Notched Laminates Using the Generalized Method of Cells

Science.gov (United States)

Naghipour Ghezeljeh, Paria; Arnold, Steven M.; Pineda, Evan J.

2016-01-01

Composite material systems generally exhibit a range of behavior on different length scales (from constituent level to macro); therefore, a multiscale framework is beneficial for the design and engineering of these material systems. The complex nature of the observed composite failure during experiments suggests the need for a three-dimensional (3D) multiscale model to attain a reliable prediction. However, the size of a multiscale three-dimensional finite element model can become prohibitively large and computationally costly. Two-dimensional (2D) models are preferred due to computational efficiency, especially if many different configurations have to be analyzed for an in-depth damage tolerance and durability design study. In this study, various 2D and 3D multiscale analyses will be employed to conduct a detailed investigation into the tensile failure of a given multidirectional, notched carbon fiber reinforced polymer laminate. Threedimensional finite element analysis is typically considered more accurate than a 2D finite element model, as compared with experiments. Nevertheless, in the absence of adequate mesh refinement, large differences may be observed between a 2D and 3D analysis, especially for a shear-dominated layup. This observed difference has not been widely addressed in previous literature and is the main focus of this paper.

Multiscale Computational Fluid Dynamics: Methodology and Application to PECVD of Thin Film Solar Cells

Directory of Open Access Journals (Sweden)

Marquis Crose

2017-02-01

Full Text Available This work focuses on the development of a multiscale computational fluid dynamics (CFD simulation framework with application to plasma-enhanced chemical vapor deposition of thin film solar cells. A macroscopic, CFD model is proposed which is capable of accurately reproducing plasma chemistry and transport phenomena within a 2D axisymmetric reactor geometry. Additionally, the complex interactions that take place on the surface of a-Si:H thin films are coupled with the CFD simulation using a novel kinetic Monte Carlo scheme which describes the thin film growth, leading to a multiscale CFD model. Due to the significant computational challenges imposed by this multiscale CFD model, a parallel computation strategy is presented which allows for reduced processing time via the discretization of both the gas-phase mesh and microscopic thin film growth processes. Finally, the multiscale CFD model has been applied to the PECVD process at industrially relevant operating conditions revealing non-uniformities greater than 20% in the growth rate of amorphous silicon films across the radius of the wafer.

Generalized multiscale finite element methods (GMsFEM)

KAUST Repository

Efendiev, Yalchin R.; Galvis, Juan; Hou, Thomasyizhao

2013-01-01

In this paper, we propose a general approach called Generalized Multiscale Finite Element Method (GMsFEM) for performing multiscale simulations for problems without scale separation over a complex input space. As in multiscale finite element methods (MsFEMs), the main idea of the proposed approach is to construct a small dimensional local solution space that can be used to generate an efficient and accurate approximation to the multiscale solution with a potentially high dimensional input parameter space. In the proposed approach, we present a general procedure to construct the offline space that is used for a systematic enrichment of the coarse solution space in the online stage. The enrichment in the online stage is performed based on a spectral decomposition of the offline space. In the online stage, for any input parameter, a multiscale space is constructed to solve the global problem on a coarse grid. The online space is constructed via a spectral decomposition of the offline space and by choosing the eigenvectors corresponding to the largest eigenvalues. The computational saving is due to the fact that the construction of the online multiscale space for any input parameter is fast and this space can be re-used for solving the forward problem with any forcing and boundary condition. Compared with the other approaches where global snapshots are used, the local approach that we present in this paper allows us to eliminate unnecessary degrees of freedom on a coarse-grid level. We present various examples in the paper and some numerical results to demonstrate the effectiveness of our method. © 2013 Elsevier Inc.

Generalized multiscale finite element methods (GMsFEM)

KAUST Repository

Efendiev, Yalchin R.

2013-10-01

In this paper, we propose a general approach called Generalized Multiscale Finite Element Method (GMsFEM) for performing multiscale simulations for problems without scale separation over a complex input space. As in multiscale finite element methods (MsFEMs), the main idea of the proposed approach is to construct a small dimensional local solution space that can be used to generate an efficient and accurate approximation to the multiscale solution with a potentially high dimensional input parameter space. In the proposed approach, we present a general procedure to construct the offline space that is used for a systematic enrichment of the coarse solution space in the online stage. The enrichment in the online stage is performed based on a spectral decomposition of the offline space. In the online stage, for any input parameter, a multiscale space is constructed to solve the global problem on a coarse grid. The online space is constructed via a spectral decomposition of the offline space and by choosing the eigenvectors corresponding to the largest eigenvalues. The computational saving is due to the fact that the construction of the online multiscale space for any input parameter is fast and this space can be re-used for solving the forward problem with any forcing and boundary condition. Compared with the other approaches where global snapshots are used, the local approach that we present in this paper allows us to eliminate unnecessary degrees of freedom on a coarse-grid level. We present various examples in the paper and some numerical results to demonstrate the effectiveness of our method. © 2013 Elsevier Inc.

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.

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 Computation. Needs and Opportunities for BER Science

Energy Technology Data Exchange (ETDEWEB)

Scheibe, Timothy D. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Smith, Jeremy C. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States)

2015-01-01

The Environmental Molecular Sciences Laboratory (EMSL), a scientific user facility managed by Pacific Northwest National Laboratory for the U.S. Department of Energy, Office of Biological and Environmental Research (BER), conducted a one-day workshop on August 26, 2014 on the topic of “Multiscale Computation: Needs and Opportunities for BER Science.” Twenty invited participants, from various computational disciplines within the BER program research areas, were charged with the following objectives; Identify BER-relevant models and their potential cross-scale linkages that could be exploited to better connect molecular-scale research to BER research at larger scales and; Identify critical science directions that will motivate EMSL decisions regarding future computational (hardware and software) architectures.

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.

Relating system-to-CFD coupled code analyses to theoretical framework of a multi-scale method

International Nuclear Information System (INIS)

Cadinu, F.; Kozlowski, T.; Dinh, T.N.

2007-01-01

Over past decades, analyses of transient processes and accidents in a nuclear power plant have been performed, to a significant extent and with a great success, by means of so called system codes, e.g. RELAP5, CATHARE, ATHLET codes. These computer codes, based on a multi-fluid model of two-phase flow, provide an effective, one-dimensional description of the coolant thermal-hydraulics in the reactor system. For some components in the system, wherever needed, the effect of multi-dimensional flow is accounted for through approximate models. The later are derived from scaled experiments conducted for selected accident scenarios. Increasingly, however, we have to deal with newer and ever more complex accident scenarios. In some such cases the system codes fail to serve as simulation vehicle, largely due to its deficient treatment of multi-dimensional flow (in e.g. downcomer, lower plenum). A possible way of improvement is to use the techniques of Computational Fluid Dynamics (CFD). Based on solving Navier-Stokes equations, CFD codes have been developed and used, broadly, to perform analysis of multi-dimensional flow, dominantly in non-nuclear industry and for single-phase flow applications. It is clear that CFD simulations can not substitute system codes but just complement them. Given the intrinsic multi-scale nature of this problem, we propose to relate it to the more general field of research on multi-scale simulations. Even though multi-scale methods are developed on case-by-case basis, the need for a unified framework brought to the development of the heterogeneous multi-scale method (HMM)

An Efficient Integer Coding and Computing Method for Multiscale Time Segment

Directory of Open Access Journals (Sweden)

TONG Xiaochong

2016-12-01

Full Text Available This article focus on the exist problem and status of current time segment coding, proposed a new set of approach about time segment coding: multi-scale time segment integer coding (MTSIC. This approach utilized the tree structure and the sort by size formed among integer, it reflected the relationship among the multi-scale time segments: order, include/contained, intersection, etc., and finally achieved an unity integer coding processing for multi-scale time. On this foundation, this research also studied the computing method for calculating the time relationships of MTSIC, to support an efficient calculation and query based on the time segment, and preliminary discussed the application method and prospect of MTSIC. The test indicated that, the implement of MTSIC is convenient and reliable, and the transformation between it and the traditional method is convenient, it has the very high efficiency in query and calculating.

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.

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.

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.

Multi-scale calculation based on dual domain material point method combined with molecular dynamics

Energy Technology Data Exchange (ETDEWEB)

Dhakal, Tilak Raj [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

2017-02-27

computation. The numerical properties of the multiscale method are investigated as well as the results from this multi-scale calculation are compared of particles needed for convergence makes the method very expensive especially in our multi-scale method where we calculate stress in each material point using MD simulation. To improve DDMP, the sub-point method is introduced in this dissertation, which provides high quality numerical solutions with a very small number of particles. The multi-scale method based on DDMP with sub-points is successfully implemented for a one dimensional problem of shock wave propagation in a cerium crystal. The MD simulation to calculate stress in each material point is performed in GPU using CUDA to accelerate the computation. The numerical properties of the multiscale method are investigated as well as the results from this multi-scale calculation are compared with direct MD simulation results to demonstrate the feasibility of the method. Also, the multi-scale method is applied for a two dimensional problem of jet formation around copper notch under a strong impact.

Multiscale empirical interpolation for solving nonlinear PDEs

KAUST Repository

Calo, Victor M.

2014-12-01

In this paper, we propose a multiscale empirical interpolation method for solving nonlinear multiscale partial differential equations. The proposed method combines empirical interpolation techniques and local multiscale methods, such as the Generalized Multiscale Finite Element Method (GMsFEM). To solve nonlinear equations, the GMsFEM is used to represent the solution on a coarse grid with multiscale basis functions computed offline. Computing the GMsFEM solution involves calculating the system residuals and Jacobians on the fine grid. We use empirical interpolation concepts to evaluate these residuals and Jacobians of the multiscale system with a computational cost which is proportional to the size of the coarse-scale problem rather than the fully-resolved fine scale one. The empirical interpolation method uses basis functions which are built by sampling the nonlinear function we want to approximate a limited number of times. The coefficients needed for this approximation are computed in the offline stage by inverting an inexpensive linear system. The proposed multiscale empirical interpolation techniques: (1) divide computing the nonlinear function into coarse regions; (2) evaluate contributions of nonlinear functions in each coarse region taking advantage of a reduced-order representation of the solution; and (3) introduce multiscale proper-orthogonal-decomposition techniques to find appropriate interpolation vectors. We demonstrate the effectiveness of the proposed methods on several nonlinear multiscale PDEs that are solved with Newton\\'s methods and fully-implicit time marching schemes. Our numerical results show that the proposed methods provide a robust framework for solving nonlinear multiscale PDEs on a coarse grid with bounded error and significant computational cost reduction.

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

All-Particle Multiscale Computation of Hypersonic Rarefied Flow

Science.gov (United States)

Jun, E.; Burt, J. M.; Boyd, I. D.

2011-05-01

This study examines a new hybrid particle scheme used as an alternative means of multiscale flow simulation. The hybrid particle scheme employs the direct simulation Monte Carlo (DSMC) method in rarefied flow regions and the low diffusion (LD) particle method in continuum flow regions. The numerical procedures of the low diffusion particle method are implemented within an existing DSMC algorithm. The performance of the LD-DSMC approach is assessed by studying Mach 10 nitrogen flow over a sphere with a global Knudsen number of 0.002. The hybrid scheme results show good overall agreement with results from standard DSMC and CFD computation. Subcell procedures are utilized to improve computational efficiency and reduce sensitivity to DSMC cell size in the hybrid scheme. This makes it possible to perform the LD-DSMC simulation on a much coarser mesh that leads to a significant reduction in computation time.

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

Multiscale methods coupling atomistic and continuum mechanics: analysis of a simple case

OpenAIRE

Blanc , Xavier; Le Bris , Claude; Legoll , Frédéric

2007-01-01

International audience; The description and computation of fine scale localized phenomena arising in a material (during nanoindentation, for instance) is a challenging problem that has given birth to many multiscale methods. In this work, we propose an analysis of a simple one-dimensional method that couples two scales, the atomistic one and the continuum mechanics one. The method includes an adaptive criterion in order to split the computational domain into two subdomains, that are described...

A spectral multiscale hybridizable discontinuous Galerkin method for second order elliptic problems

KAUST Repository

Efendiev, Yalchin R.

2015-08-01

We design a multiscale model reduction framework within the hybridizable discontinuous Galerkin finite element method. Our approach uses local snapshot spaces and local spectral decomposition following the concept of Generalized Multiscale Finite Element Methods. We propose several multiscale finite element spaces on the coarse edges that provide a reduced dimensional approximation for numerical traces within the HDG framework. We provide a general framework for systematic construction of multiscale trace spaces. Using local snapshots, we avoid high dimensional representation of trace spaces and use some local features of the solution space in constructing a low dimensional trace space. We investigate the solvability and numerically study the performance of the proposed method on a representative number of numerical examples.

SOMAR-LES: A framework for multi-scale modeling of turbulent stratified oceanic flows

Science.gov (United States)

Chalamalla, Vamsi K.; Santilli, Edward; Scotti, Alberto; Jalali, Masoud; Sarkar, Sutanu

2017-12-01

A new multi-scale modeling technique, SOMAR-LES, is presented in this paper. Localized grid refinement gives SOMAR (the Stratified Ocean Model with Adaptive Resolution) access to small scales of the flow which are normally inaccessible to general circulation models (GCMs). SOMAR-LES drives a LES (Large Eddy Simulation) on SOMAR's finest grids, forced with large scale forcing from the coarser grids. Three-dimensional simulations of internal tide generation, propagation and scattering are performed to demonstrate this multi-scale modeling technique. In the case of internal tide generation at a two-dimensional bathymetry, SOMAR-LES is able to balance the baroclinic energy budget and accurately model turbulence losses at only 10% of the computational cost required by a non-adaptive solver running at SOMAR-LES's fine grid resolution. This relative cost is significantly reduced in situations with intermittent turbulence or where the location of the turbulence is not known a priori because SOMAR-LES does not require persistent, global, high resolution. To illustrate this point, we consider a three-dimensional bathymetry with grids adaptively refined along the tidally generated internal waves to capture remote mixing in regions of wave focusing. The computational cost in this case is found to be nearly 25 times smaller than that of a non-adaptive solver at comparable resolution. In the final test case, we consider the scattering of a mode-1 internal wave at an isolated two-dimensional and three-dimensional topography, and we compare the results with Legg (2014) numerical experiments. We find good agreement with theoretical estimates. SOMAR-LES is less dissipative than the closure scheme employed by Legg (2014) near the bathymetry. Depending on the flow configuration and resolution employed, a reduction of more than an order of magnitude in computational costs is expected, relative to traditional existing solvers.

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.

Multi-scale multi-physics computational chemistry simulation based on ultra-accelerated quantum chemical molecular dynamics method for structural materials in boiling water reactor

International Nuclear Information System (INIS)

Miyamoto, Akira; Sato, Etsuko; Sato, Ryo; Inaba, Kenji; Hatakeyama, Nozomu

2014-01-01

In collaboration with experimental experts we have reported in the present conference (Hatakeyama, N. et al., “Experiment-integrated multi-scale, multi-physics computational chemistry simulation applied to corrosion behaviour of BWR structural materials”) the results of multi-scale multi-physics computational chemistry simulations applied to the corrosion behaviour of BWR structural materials. In macro-scale, a macroscopic simulator of anode polarization curve was developed to solve the spatially one-dimensional electrochemical equations on the material surface in continuum level in order to understand the corrosion behaviour of typical BWR structural material, SUS304. The experimental anode polarization behaviours of each pure metal were reproduced by fitting all the rates of electrochemical reactions and then the anode polarization curve of SUS304 was calculated by using the same parameters and found to reproduce the experimental behaviour successfully. In meso-scale, a kinetic Monte Carlo (KMC) simulator was applied to an actual-time simulation of the morphological corrosion behaviour under the influence of an applied voltage. In micro-scale, an ultra-accelerated quantum chemical molecular dynamics (UA-QCMD) code was applied to various metallic oxide surfaces of Fe 2 O 3 , Fe 3 O 4 , Cr 2 O 3 modelled as same as water molecules and dissolved metallic ions on the surfaces, then the dissolution and segregation behaviours were successfully simulated dynamically by using UA-QCMD. In this paper we describe details of the multi-scale, multi-physics computational chemistry method especially the UA-QCMD method. This method is approximately 10,000,000 times faster than conventional first-principles molecular dynamics methods based on density-functional theory (DFT), and the accuracy was also validated for various metals and metal oxides compared with DFT results. To assure multi-scale multi-physics computational chemistry simulation based on the UA-QCMD method for

Multiscale solutions of radiative heat transfer by the discrete unified gas kinetic scheme

Science.gov (United States)

Luo, Xiao-Ping; Wang, Cun-Hai; Zhang, Yong; Yi, Hong-Liang; Tan, He-Ping

2018-06-01

The radiative transfer equation (RTE) has two asymptotic regimes characterized by the optical thickness, namely, optically thin and optically thick regimes. In the optically thin regime, a ballistic or kinetic transport is dominant. In the optically thick regime, energy transport is totally dominated by multiple collisions between photons; that is, the photons propagate by means of diffusion. To obtain convergent solutions to the RTE, conventional numerical schemes have a strong dependence on the number of spatial grids, which leads to a serious computational inefficiency in the regime where the diffusion is predominant. In this work, a discrete unified gas kinetic scheme (DUGKS) is developed to predict radiative heat transfer in participating media. Numerical performances of the DUGKS are compared in detail with conventional methods through three cases including one-dimensional transient radiative heat transfer, two-dimensional steady radiative heat transfer, and three-dimensional multiscale radiative heat transfer. Due to the asymptotic preserving property, the present method with relatively coarse grids gives accurate and reliable numerical solutions for large, small, and in-between values of optical thickness, and, especially in the optically thick regime, the DUGKS demonstrates a pronounced computational efficiency advantage over the conventional numerical models. In addition, the DUGKS has a promising potential in the study of multiscale radiative heat transfer inside the participating medium with a transition from optically thin to optically thick regimes.

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.

Evaluation of convergence behavior of metamodeling techniques for bridging scales in multi-scale multimaterial simulation

International Nuclear Information System (INIS)

Sen, Oishik; Davis, Sean; Jacobs, Gustaaf; Udaykumar, H.S.

2015-01-01

The effectiveness of several metamodeling techniques, viz. the Polynomial Stochastic Collocation method, Adaptive Stochastic Collocation method, a Radial Basis Function Neural Network, a Kriging Method and a Dynamic Kriging Method is evaluated. This is done with the express purpose of using metamodels to bridge scales between micro- and macro-scale models in a multi-scale multimaterial simulation. The rate of convergence of the error when used to reconstruct hypersurfaces of known functions is studied. For sufficiently large number of training points, Stochastic Collocation methods generally converge faster than the other metamodeling techniques, while the DKG method converges faster when the number of input points is less than 100 in a two-dimensional parameter space. Because the input points correspond to computationally expensive micro/meso-scale computations, the DKG is favored for bridging scales in a multi-scale solver

Modeling and Simulation of High Dimensional Stochastic Multiscale PDE Systems at the Exascale

Energy Technology Data Exchange (ETDEWEB)

Kevrekidis, Ioannis [Princeton Univ., NJ (United States)

2017-03-22

The thrust of the proposal was to exploit modern data-mining tools in a way that will create a systematic, computer-assisted approach to the representation of random media -- and also to the representation of the solutions of an array of important physicochemical processes that take place in/on such media. A parsimonious representation/parametrization of the random media links directly (via uncertainty quantification tools) to good sampling of the distribution of random media realizations. It also links directly to modern multiscale computational algorithms (like the equation-free approach that has been developed in our group) and plays a crucial role in accelerating the scientific computation of solutions of nonlinear PDE models (deterministic or stochastic) in such media – both solutions in particular realizations of the random media, and estimation of the statistics of the solutions over multiple realizations (e.g. expectations).

Efficient Computation of Multiscale Entropy over Short Biomedical Time Series Based on Linear State-Space Models

Directory of Open Access Journals (Sweden)

Luca Faes

2017-01-01

Full Text Available The most common approach to assess the dynamical complexity of a time series across multiple temporal scales makes use of the multiscale entropy (MSE and refined MSE (RMSE measures. In spite of their popularity, MSE and RMSE lack an analytical framework allowing their calculation for known dynamic processes and cannot be reliably computed over short time series. To overcome these limitations, we propose a method to assess RMSE for autoregressive (AR stochastic processes. The method makes use of linear state-space (SS models to provide the multiscale parametric representation of an AR process observed at different time scales and exploits the SS parameters to quantify analytically the complexity of the process. The resulting linear MSE (LMSE measure is first tested in simulations, both theoretically to relate the multiscale complexity of AR processes to their dynamical properties and over short process realizations to assess its computational reliability in comparison with RMSE. Then, it is applied to the time series of heart period, arterial pressure, and respiration measured for healthy subjects monitored in resting conditions and during physiological stress. This application to short-term cardiovascular variability documents that LMSE can describe better than RMSE the activity of physiological mechanisms producing biological oscillations at different temporal scales.

Multiscale Computational Analysis of Nitrogen and Oxygen Gas-Phase Thermochemistry in Hypersonic Flows

Science.gov (United States)

Bender, Jason D.

Understanding hypersonic aerodynamics is important for the design of next-generation aerospace vehicles for space exploration, national security, and other applications. Ground-level experimental studies of hypersonic flows are difficult and expensive; thus, computational science plays a crucial role in this field. Computational fluid dynamics (CFD) simulations of extremely high-speed flows require models of chemical and thermal nonequilibrium processes, such as dissociation of diatomic molecules and vibrational energy relaxation. Current models are outdated and inadequate for advanced applications. We describe a multiscale computational study of gas-phase thermochemical processes in hypersonic flows, starting at the atomic scale and building systematically up to the continuum scale. The project was part of a larger effort centered on collaborations between aerospace scientists and computational chemists. We discuss the construction of potential energy surfaces for the N4, N2O2, and O4 systems, focusing especially on the multi-dimensional fitting problem. A new local fitting method named L-IMLS-G2 is presented and compared with a global fitting method. Then, we describe the theory of the quasiclassical trajectory (QCT) approach for modeling molecular collisions. We explain how we implemented the approach in a new parallel code for high-performance computing platforms. Results from billions of QCT simulations of high-energy N2 + N2, N2 + N, and N2 + O2 collisions are reported and analyzed. Reaction rate constants are calculated and sets of reactive trajectories are characterized at both thermal equilibrium and nonequilibrium conditions. The data shed light on fundamental mechanisms of dissociation and exchange reactions -- and their coupling to internal energy transfer processes -- in thermal environments typical of hypersonic flows. We discuss how the outcomes of this investigation and other related studies lay a rigorous foundation for new macroscopic models for

A Multiscale Closed-Loop Cardiovascular Model, with Applications to Heart Pacing and Hemorrhage

Science.gov (United States)

Canuto, Daniel; Eldredge, Jeff; Chong, Kwitae; Benharash, Peyman; Dutson, Erik

2017-11-01

A computational tool is developed for simulating the dynamic response of the human cardiovascular system to various stressors and injuries. The tool couples zero-dimensional models of the heart, pulmonary vasculature, and peripheral vasculature to one-dimensional models of the major systemic arteries. To simulate autonomic response, this multiscale circulatory model is integrated with a feedback model of the baroreflex, allowing control of heart rate, cardiac contractility, and peripheral impedance. The performance of the tool is demonstrated in two scenarios: increasing heart rate by stimulating the sympathetic nervous system, and an acute 10 percent hemorrhage from the left femoral artery.

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...

Study on high density multi-scale calculation technique

International Nuclear Information System (INIS)

Sekiguchi, S.; Tanaka, Y.; Nakada, H.; Nishikawa, T.; Yamamoto, N.; Yokokawa, M.

2004-01-01

To understand degradation of nuclear materials under irradiation, it is essential to know as much about each phenomenon observed from multi-scale points of view; they are micro-scale in atomic-level, macro-level in structural scale and intermediate level. In this study for application to meso-scale materials (100A ∼ 2μm), computer technology approaching from micro- and macro-scales was developed including modeling and computer application using computational science and technology method. And environmental condition of grid technology for multi-scale calculation was prepared. The software and MD (molecular dynamics) stencil for verifying the multi-scale calculation were improved and their movement was confirmed. (A. Hishinuma)

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 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

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.

3D multiscale crack propagation using the XFEM applied to a gas turbine blade

Science.gov (United States)

Holl, Matthias; Rogge, Timo; Loehnert, Stefan; Wriggers, Peter; Rolfes, Raimund

2014-01-01

This work presents a new multiscale technique to investigate advancing cracks in three dimensional space. This fully adaptive multiscale technique is designed to take into account cracks of different length scales efficiently, by enabling fine scale domains locally in regions of interest, i.e. where stress concentrations and high stress gradients occur. Due to crack propagation, these regions change during the simulation process. Cracks are modeled using the extended finite element method, such that an accurate and powerful numerical tool is achieved. Restricting ourselves to linear elastic fracture mechanics, the -integral yields an accurate solution of the stress intensity factors, and with the criterion of maximum hoop stress, a precise direction of growth. If necessary, the on the finest scale computed crack surface is finally transferred to the corresponding scale. In a final step, the model is applied to a quadrature point of a gas turbine blade, to compute crack growth on the microscale of a real structure.

3D terrestrial lidar data classification of complex natural scenes using a multi-scale dimensionality criterion: Applications in geomorphology

Science.gov (United States)

Brodu, N.; Lague, D.

2012-03-01

3D point clouds of natural environments relevant to problems in geomorphology (rivers, coastal environments, cliffs, …) often require classification of the data into elementary relevant classes. A typical example is the separation of riparian vegetation from ground in fluvial environments, the distinction between fresh surfaces and rockfall in cliff environments, or more generally the classification of surfaces according to their morphology (e.g. the presence of bedforms or by grain size). Natural surfaces are heterogeneous and their distinctive properties are seldom defined at a unique scale, prompting the use of multi-scale criteria to achieve a high degree of classification success. We have thus defined a multi-scale measure of the point cloud dimensionality around each point. The dimensionality characterizes the local 3D organization of the point cloud within spheres centered on the measured points and varies from being 1D (points set along a line), 2D (points forming a plane) to the full 3D volume. By varying the diameter of the sphere, we can thus monitor how the local cloud geometry behaves across scales. We present the technique and illustrate its efficiency in separating riparian vegetation from ground and classifying a mountain stream as vegetation, rock, gravel or water surface. In these two cases, separating the vegetation from ground or other classes achieve accuracy larger than 98%. Comparison with a single scale approach shows the superiority of the multi-scale analysis in enhancing class separability and spatial resolution of the classification. Scenes between 10 and one hundred million points can be classified on a common laptop in a reasonable time. The technique is robust to missing data, shadow zones and changes in point density within the scene. The classification is fast and accurate and can account for some degree of intra-class morphological variability such as different vegetation types. A probabilistic confidence in the classification

Multiscale simulation of water flow past a C540 fullerene

DEFF Research Database (Denmark)

Walther, Jens Honore; Praprotnik, Matej; Kotsalis, Evangelos M.

2012-01-01

We present a novel, three-dimensional, multiscale algorithm for simulations of water flow past a fullerene. We employ the Schwarz alternating overlapping domain method to couple molecular dynamics (MD) of liquid water around the C540 buckyball with a Lattice–Boltzmann (LB) description for the Nav......We present a novel, three-dimensional, multiscale algorithm for simulations of water flow past a fullerene. We employ the Schwarz alternating overlapping domain method to couple molecular dynamics (MD) of liquid water around the C540 buckyball with a Lattice–Boltzmann (LB) description...

Towards practical multiscale approach for analysis of reinforced concrete structures

Science.gov (United States)

Moyeda, Arturo; Fish, Jacob

2017-12-01

We present a novel multiscale approach for analysis of reinforced concrete structural elements that overcomes two major hurdles in utilization of multiscale technologies in practice: (1) coupling between material and structural scales due to consideration of large representative volume elements (RVE), and (2) computational complexity of solving complex nonlinear multiscale problems. The former is accomplished using a variant of computational continua framework that accounts for sizeable reinforced concrete RVEs by adjusting the location of quadrature points. The latter is accomplished by means of reduced order homogenization customized for structural elements. The proposed multiscale approach has been verified against direct numerical simulations and validated against experimental results.

Low-Frequency Oscillations and Transport Processes Induced by Multiscale Transverse Structures in the Polar Wind Outflow: A Three-Dimensional Simulation

Science.gov (United States)

Ganguli, Supriya B.; Gavrishchaka, Valeriy V.

1999-01-01

Multiscale transverse structures in the magnetic-field-aligned flows have been frequently observed in the auroral region by FAST and Freja satellites. A number of multiscale processes, such as broadband low-frequency oscillations and various cross-field transport effects are well correlated with these structures. To study these effects, we have used our three-dimensional multifluid model with multiscale transverse inhomogeneities in the initial velocity profile. Self-consistent-frequency mode driven by local transverse gradients in the generation of the low field-aligned ion flow and associated transport processes were simulated. Effects of particle interaction with the self-consistent time-dependent three-dimensional wave potential have been modeled using a distribution of test particles. For typical polar wind conditions it has been found that even large-scale (approximately 50 - 100 km) transverse inhomogeneities in the flow can generate low-frequency oscillations that lead to significant flow modifications, cross-field particle diffusion, and other transport effects. It has also been shown that even small-amplitude (approximately 10 - 20%) short-scale (approximately 10 km) modulations of the original large-scale flow profile significantly increases low-frequency mode generation and associated cross-field transport, not only at the local spatial scales imposed by the modulations but also on global scales. Note that this wave-induced cross-field transport is not included in any of the global numerical models of the ionosphere, ionosphere-thermosphere, or ionosphere-polar wind. The simulation results indicate that the wave-induced cross-field transport not only affects the ion outflow rates but also leads to a significant broadening of particle phase-space distribution and transverse particle diffusion.

Fatigue of multiscale composites with secondary nanoplatelet reinforcement: 3D computational analysis

DEFF Research Database (Denmark)

Dai, Gaoming; Mishnaevsky, Leon, Jr.

2014-01-01

3D numerical simulations of fatigue damage of multiscale fiber reinforced polymer composites with secondary nanoclay reinforcement are carried out. Macro–micro FE models of the multiscale composites are generated automatically using Python based software. The effect of the nanoclay reinforcement....... Multiscale composites with exfoliated nanoreinforcement and aligned nanoplatelets ensure the better fatigue resistance than those with intercalated/clustered and randomly oriented nanoreinforcement....

Multiscale Biological Materials

DEFF Research Database (Denmark)

Frølich, Simon

of multiscale biological systems have been investigated and new research methods for automated Rietveld refinement and diffraction scattering computed tomography developed. The composite nature of biological materials was investigated at the atomic scale by looking at the consequences of interactions between...

Image matrix processor for fast multi-dimensional computations

Science.gov (United States)

Roberson, George P.; Skeate, Michael F.

1996-01-01

An apparatus for multi-dimensional computation which comprises a computation engine, including a plurality of processing modules. The processing modules are configured in parallel and compute respective contributions to a computed multi-dimensional image of respective two dimensional data sets. A high-speed, parallel access storage system is provided which stores the multi-dimensional data sets, and a switching circuit routes the data among the processing modules in the computation engine and the storage system. A data acquisition port receives the two dimensional data sets representing projections through an image, for reconstruction algorithms such as encountered in computerized tomography. The processing modules include a programmable local host, by which they may be configured to execute a plurality of different types of multi-dimensional algorithms. The processing modules thus include an image manipulation processor, which includes a source cache, a target cache, a coefficient table, and control software for executing image transformation routines using data in the source cache and the coefficient table and loading resulting data in the target cache. The local host processor operates to load the source cache with a two dimensional data set, loads the coefficient table, and transfers resulting data out of the target cache to the storage system, or to another destination.

A Multi-Scale Computational Study on the Mechanism of Streptococcus pneumoniae Nicotinamidase (SpNic)

OpenAIRE

Ion, Bogdan; Kazim, Erum; Gauld, James

2014-01-01

Nicotinamidase (Nic) is a key zinc-dependent enzyme in NAD metabolism that catalyzes the hydrolysis of nicotinamide to give nicotinic acid. A multi-scale computational approach has been used to investigate the catalytic mechanism, substrate binding and roles of active site residues of Nic from Streptococcus pneumoniae (SpNic). In particular, density functional theory (DFT), molecular dynamics (MD) and ONIOM quantum mechanics/molecular mechanics (QM/MM) methods have been employed. The o...

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

KAUST Repository

Efendiev, Yalchin R.

2015-06-05

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

A Posteriori Analysis of Adaptive Multiscale Operator Decomposition Methods for Multiphysics Problems

Energy Technology Data Exchange (ETDEWEB)

Donald Estep; Michael Holst; Simon Tavener

2010-02-08

This project was concerned with the accurate computational error estimation for numerical solutions of multiphysics, multiscale systems that couple different physical processes acting across a large range of scales relevant to the interests of the DOE. Multiscale, multiphysics models are characterized by intimate interactions between different physics across a wide range of scales. This poses significant computational challenges addressed by the proposal, including: (1) Accurate and efficient computation; (2) Complex stability; and (3) Linking different physics. The research in this project focused on Multiscale Operator Decomposition methods for solving multiphysics problems. The general approach is to decompose a multiphysics problem into components involving simpler physics over a relatively limited range of scales, and then to seek the solution of the entire system through some sort of iterative procedure involving solutions of the individual components. MOD is a very widely used technique for solving multiphysics, multiscale problems; it is heavily used throughout the DOE computational landscape. This project made a major advance in the analysis of the solution of multiscale, multiphysics problems.

Generalized multiscale finite element methods: Oversampling strategies

KAUST Repository

Efendiev, Yalchin R.; Galvis, Juan; Li, Guanglian; Presho, Michael

2014-01-01

In this paper, we propose oversampling strategies in the generalized multiscale finite element method (GMsFEM) framework. The GMsFEM, which has been recently introduced in Efendiev et al. (2013b) [Generalized Multiscale Finite Element Methods, J. Comput. Phys., vol. 251, pp. 116-135, 2013], allows solving multiscale parameter-dependent problems at a reduced computational cost by constructing a reduced-order representation of the solution on a coarse grid. The main idea of the method consists of (1) the construction of snapshot space, (2) the construction of the offline space, and (3) construction of the online space (the latter for parameter-dependent problems). In Efendiev et al. (2013b) [Generalized Multiscale Finite Element Methods, J. Comput. Phys., vol. 251, pp. 116-135, 2013], it was shown that the GMsFEM provides a flexible tool to solve multiscale problems with a complex input space by generating appropriate snapshot, offline, and online spaces. In this paper, we develop oversampling techniques to be used in this context (see Hou and Wu (1997) where oversampling is introduced for multiscale finite element methods). It is known (see Hou and Wu (1997)) that the oversampling can improve the accuracy of multiscale methods. In particular, the oversampling technique uses larger regions (larger than the target coarse block) in constructing local basis functions. Our motivation stems from the analysis presented in this paper, which shows that when using oversampling techniques in the construction of the snapshot space and offline space, GMsFEM will converge independent of small scales and high contrast under certain assumptions. We consider the use of a multiple eigenvalue problems to improve the convergence and discuss their relation to single spectral problems that use oversampled regions. The oversampling procedures proposed in this paper differ from those in Hou and Wu (1997). In particular, the oversampling domains are partially used in constructing local

Multiscale eddy simulation for moist atmospheric convection: Preliminary investigation

Energy Technology Data Exchange (ETDEWEB)

Stechmann, Samuel N., E-mail: stechmann@wisc.edu [Department of Mathematics, University of Wisconsin-Madison (United States); Department of Atmospheric and Oceanic Sciences, University of Wisconsin-Madison (United States)

2014-08-15

A multiscale computational framework is designed for simulating atmospheric convection and clouds. In this multiscale framework, large eddy simulation (LES) is used to model the coarse scales of 100 m and larger, and a stochastic, one-dimensional turbulence (ODT) model is used to represent the fine scales of 100 m and smaller. Coupled and evolving together, these two components provide a multiscale eddy simulation (MES). Through its fine-scale turbulence and moist thermodynamics, MES allows coarse grid cells to be partially cloudy and to encompass cloudy–clear air mixing on scales down to 1 m; in contrast, in typical LES such fine-scale processes are not represented or are parameterized using bulk deterministic closures. To illustrate MES and investigate its multiscale dynamics, a shallow cumulus cloud field is simulated. The fine-scale variability is seen to take a plausible form, with partially cloudy grid cells prominent near cloud edges and cloud top. From earlier theoretical work, this mixing of cloudy and clear air is believed to have an important impact on buoyancy. However, contrary to expectations based on earlier theoretical studies, the mean statistics of the bulk cloud field are essentially the same in MES and LES; possible reasons for this are discussed, including possible limitations in the present formulation of MES. One difference between LES and MES is seen in the coarse-scale turbulent kinetic energy, which appears to grow slowly in time due to incoherent stochastic fluctuations in the buoyancy. This and other considerations suggest the need for some type of spatial and/or temporal filtering to attenuate undersampling of the stochastic fine-scale processes.

Multiscale eddy simulation for moist atmospheric convection: Preliminary investigation

International Nuclear Information System (INIS)

Stechmann, Samuel N.

2014-01-01

A multiscale computational framework is designed for simulating atmospheric convection and clouds. In this multiscale framework, large eddy simulation (LES) is used to model the coarse scales of 100 m and larger, and a stochastic, one-dimensional turbulence (ODT) model is used to represent the fine scales of 100 m and smaller. Coupled and evolving together, these two components provide a multiscale eddy simulation (MES). Through its fine-scale turbulence and moist thermodynamics, MES allows coarse grid cells to be partially cloudy and to encompass cloudy–clear air mixing on scales down to 1 m; in contrast, in typical LES such fine-scale processes are not represented or are parameterized using bulk deterministic closures. To illustrate MES and investigate its multiscale dynamics, a shallow cumulus cloud field is simulated. The fine-scale variability is seen to take a plausible form, with partially cloudy grid cells prominent near cloud edges and cloud top. From earlier theoretical work, this mixing of cloudy and clear air is believed to have an important impact on buoyancy. However, contrary to expectations based on earlier theoretical studies, the mean statistics of the bulk cloud field are essentially the same in MES and LES; possible reasons for this are discussed, including possible limitations in the present formulation of MES. One difference between LES and MES is seen in the coarse-scale turbulent kinetic energy, which appears to grow slowly in time due to incoherent stochastic fluctuations in the buoyancy. This and other considerations suggest the need for some type of spatial and/or temporal filtering to attenuate undersampling of the stochastic fine-scale processes

Three-Dimensional Computer-Aided Detection of Microcalcification Clusters in Digital Breast Tomosynthesis

Directory of Open Access Journals (Sweden)

Ji-wook Jeong

2016-01-01

Full Text Available We propose computer-aided detection (CADe algorithm for microcalcification (MC clusters in reconstructed digital breast tomosynthesis (DBT images. The algorithm consists of prescreening, MC detection, clustering, and false-positive (FP reduction steps. The DBT images containing the MC-like objects were enhanced by a multiscale Hessian-based three-dimensional (3D objectness response function and a connected-component segmentation method was applied to extract the cluster seed objects as potential clustering centers of MCs. Secondly, a signal-to-noise ratio (SNR enhanced image was also generated to detect the individual MC candidates and prescreen the MC-like objects. Each cluster seed candidate was prescreened by counting neighboring individual MC candidates nearby the cluster seed object according to several microcalcification clustering criteria. As a second step, we introduced bounding boxes for the accepted seed candidate, clustered all the overlapping cubes, and examined. After the FP reduction step, the average number of FPs per case was estimated to be 2.47 per DBT volume with a sensitivity of 83.3%.

Multiphysics/multiscale multifluid computations

International Nuclear Information System (INIS)

Yadigaroglu, George

2014-01-01

Regarding experimentation, interesting examples of multi-scale approaches are found: the small-scale experiments to understand the mechanisms of counter-current flow limitations (CCFL) such as the growth of instabilities on films, droplet entrainment, etc; meso-scale experiments to quantify the CCFL conditions in typical geometries such as tubes and gaps between parallel plates, and finally full-scale experimentation in a typical reactor geometry - the UPTF tests. Another example is the mixing of the atmosphere produced by plumes and jets in a reactor containment: one needs first basic turbulence information that can be obtained at the microscopic level; follow medium-scale experiments to understand the behaviour of jets and plumes; finally reactor-scale tests can be conducted in facilities such as PANDA at PSI, in Switzerland to study the phenomena at large scale

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

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.

International Conference on Multiscale Methods and Partial Differential Equations.

Energy Technology Data Exchange (ETDEWEB)

Thomas Hou

2006-12-12

The International Conference on Multiscale Methods and Partial Differential Equations (ICMMPDE for short) was held at IPAM, UCLA on August 26-27, 2005. The conference brought together researchers, students and practitioners with interest in the theoretical, computational and practical aspects of multiscale problems and related partial differential equations. The conference provided a forum to exchange and stimulate new ideas from different disciplines, and to formulate new challenging multiscale problems that will have impact in applications.

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

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.

Multiscale 3D characterization with dark-field x-ray microscopy

DEFF Research Database (Denmark)

Simons, Hugh; Jakobsen, Anders Clemen; Ahl, Sonja Rosenlund

2016-01-01

Dark-field x-ray microscopy is a new way to three-dimensionally map lattice strain and orientation in crystalline matter. It is analogous to dark-field electron microscopy in that an objective lens magnifies diffracting features of the sample; however, the use of high-energy synchrotron x-rays me......, multiscale phenomena in situ is a key step toward formulating and validating multiscale models that account for the entire heterogeneity of materials....

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.

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.

A spectral multiscale hybridizable discontinuous Galerkin method for second order elliptic problems

KAUST Repository

Efendiev, Yalchin R.; Lazarov, Raytcho D.; Moon, Minam; Shi, Ke

2015-01-01

of multiscale trace spaces. Using local snapshots, we avoid high dimensional representation of trace spaces and use some local features of the solution space in constructing a low dimensional trace space. We investigate the solvability and numerically study

A Novel Multi-scale Simulation Strategy for Turbulent Reacting Flows

Energy Technology Data Exchange (ETDEWEB)

James, Sutherland [University of Utah

2018-04-12

Abstract In this project, a new methodology was proposed to bridge the gap between Direct Numerical Simulation (DNS) and Large Eddy Simulation (LES). This novel methodology, titled Lattice-Based Multiscale Simulation (LBMS), creates a lattice structure of One-Dimensional Turbulence (ODT) models. This model has been shown to capture turbulent combustion with high fidelity by fully resolving interactions between turbulence and diffusion. By creating a lattice of ODT models, which are then coupled, LBMS overcomes the shortcomings of ODT, which are its inability to capture large scale three dimensional flow structures. However, by spacing these lattices significantly apart, LBMS can avoid the curse of dimensionality that creates untenable computational costs associated with DNS. This project has shown that LBMS is capable of reproducing statistics of isotropic turbulent flows while coarsening the spacing between lines significantly. It also investigates and resolves issues that arise when coupling ODT lines, such as flux reconstruction perpendicular to a given ODT line, preservation of conserved quantities when eddies cross a course cell volume and boundary condition application. Robust parallelization is also investigated.

Multiscale paradigms in integrated computational materials science and engineering materials theory, modeling, and simulation for predictive design

CERN Document Server

Runge, Keith; Muralidharan, Krishna

2016-01-01

This book presents cutting-edge concepts, paradigms, and research highlights in the field of computational materials science and engineering, and provides a fresh, up-to-date perspective on solving present and future materials challenges. The chapters are written by not only pioneers in the fields of computational materials chemistry and materials science, but also experts in multi-scale modeling and simulation as applied to materials engineering. Pedagogical introductions to the different topics and continuity between the chapters are provided to ensure the appeal to a broad audience and to address the applicability of integrated computational materials science and engineering for solving real-world problems.

Computational methods for three-dimensional microscopy reconstruction

CERN Document Server

Frank, Joachim

2014-01-01

Approaches to the recovery of three-dimensional information on a biological object, which are often formulated or implemented initially in an intuitive way, are concisely described here based on physical models of the object and the image-formation process. Both three-dimensional electron microscopy and X-ray tomography can be captured in the same mathematical framework, leading to closely-related computational approaches, but the methodologies differ in detail and hence pose different challenges. The editors of this volume, Gabor T. Herman and Joachim Frank, are experts in the respective methodologies and present research at the forefront of biological imaging and structural biology.   Computational Methods for Three-Dimensional Microscopy Reconstruction will serve as a useful resource for scholars interested in the development of computational methods for structural biology and cell biology, particularly in the area of 3D imaging and modeling.

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

Topology Optimization Using Multiscale Finite Element Method for High-Contrast Media

DEFF Research Database (Denmark)

Lazarov, Boyan Stefanov

2014-01-01

The focus of this paper is on the applicability of multiscale finite element coarse spaces for reducing the computational burden in topology optimization. The coarse spaces are obtained by solving a set of local eigenvalue problems on overlapping patches covering the computational domain. The app......The focus of this paper is on the applicability of multiscale finite element coarse spaces for reducing the computational burden in topology optimization. The coarse spaces are obtained by solving a set of local eigenvalue problems on overlapping patches covering the computational domain...

Multiscale stabilization for convection-dominated diffusion in heterogeneous media

KAUST Repository

Calo, Victor M.

2016-02-23

We develop a Petrov-Galerkin stabilization method for multiscale convection-diffusion transport systems. Existing stabilization techniques add a limited number of degrees of freedom in the form of bubble functions or a modified diffusion, which may not be sufficient to stabilize multiscale systems. We seek a local reduced-order model for this kind of multiscale transport problems and thus, develop a systematic approach for finding reduced-order approximations of the solution. We start from a Petrov-Galerkin framework using optimal weighting functions. We introduce an auxiliary variable to a mixed formulation of the problem. The auxiliary variable stands for the optimal weighting function. The problem reduces to finding a test space (a dimensionally reduced space for this auxiliary variable), which guarantees that the error in the primal variable (representing the solution) is close to the projection error of the full solution on the dimensionally reduced space that approximates the solution. To find the test space, we reformulate some recent mixed Generalized Multiscale Finite Element Methods. We introduce snapshots and local spectral problems that appropriately define local weight and trial spaces. In particular, we use energy minimizing snapshots and local spectral decompositions in the natural norm associated with the auxiliary variable. The resulting spectral decomposition adaptively identifies and builds the optimal multiscale space to stabilize the system. We discuss the stability and its relation to the approximation property of the test space. We design online basis functions, which accelerate convergence in the test space, and consequently, improve stability. We present several numerical examples and show that one needs a few test functions to achieve an error similar to the projection error in the primal variable irrespective of the Peclet number.

REVIEW OF THE GOVERNING EQUATIONS, COMPUTATIONAL ALGORITHMS, AND OTHER COMPONENTS OF THE MODELS-3 COMMUNITY MULTISCALE AIR QUALITY (CMAQ) MODELING SYSTEM

Science.gov (United States)

This article describes the governing equations, computational algorithms, and other components entering into the Community Multiscale Air Quality (CMAQ) modeling system. This system has been designed to approach air quality as a whole by including state-of-the-science capabiliti...

Integrated multiscale modeling of molecular computing devices

International Nuclear Information System (INIS)

Cummings, Peter T; Leng Yongsheng

2005-01-01

Molecular electronics, in which single organic molecules are designed to perform the functions of transistors, diodes, switches and other circuit elements used in current siliconbased microelecronics, is drawing wide interest as a potential replacement technology for conventional silicon-based lithographically etched microelectronic devices. In addition to their nanoscopic scale, the additional advantage of molecular electronics devices compared to silicon-based lithographically etched devices is the promise of being able to produce them cheaply on an industrial scale using wet chemistry methods (i.e., self-assembly from solution). The design of molecular electronics devices, and the processes to make them on an industrial scale, will require a thorough theoretical understanding of the molecular and higher level processes involved. Hence, the development of modeling techniques for molecular electronics devices is a high priority from both a basic science point of view (to understand the experimental studies in this field) and from an applied nanotechnology (manufacturing) point of view. Modeling molecular electronics devices requires computational methods at all length scales - electronic structure methods for calculating electron transport through organic molecules bonded to inorganic surfaces, molecular simulation methods for determining the structure of self-assembled films of organic molecules on inorganic surfaces, mesoscale methods to understand and predict the formation of mesoscale patterns on surfaces (including interconnect architecture), and macroscopic scale methods (including finite element methods) for simulating the behavior of molecular electronic circuit elements in a larger integrated device. Here we describe a large Department of Energy project involving six universities and one national laboratory aimed at developing integrated multiscale methods for modeling molecular electronics devices. The project is funded equally by the Office of Basic

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.

Multi-scale computation methods: Their applications in lithium-ion battery research and development

International Nuclear Information System (INIS)

Shi Siqi; Zhao Yan; Wu Qu; Gao Jian; Liu Yue; Ju Wangwei; Ouyang Chuying; Xiao Ruijuan

2016-01-01

Based upon advances in theoretical algorithms, modeling and simulations, and computer technologies, the rational design of materials, cells, devices, and packs in the field of lithium-ion batteries is being realized incrementally and will at some point trigger a paradigm revolution by combining calculations and experiments linked by a big shared database, enabling accelerated development of the whole industrial chain. Theory and multi-scale modeling and simulation, as supplements to experimental efforts, can help greatly to close some of the current experimental and technological gaps, as well as predict path-independent properties and help to fundamentally understand path-independent performance in multiple spatial and temporal scales. (topical review)

Multifunctional multiscale composites: Processing, modeling and characterization

Science.gov (United States)

Qiu, Jingjing

Carbon nanotubes (CNTs) demonstrate extraordinary properties and show great promise in enhancing out-of-plane properties of traditional polymer/fiber composites and enabling functionality. However, current manufacturing challenges hinder the realization of their potential. In the dissertation research, both experimental and computational efforts have been conducted to investigate effective manufacturing techniques of CNT integrated multiscale composites. The fabricated composites demonstrated significant improvements in physical properties, such as tensile strength, tensile modulus, inter-laminar shear strength, thermal dimension stability and electrical conductivity. Such multiscale composites were truly multifunctional with the addition of CNTs. Furthermore, a novel hierarchical multiscale modeling method was developed in this research. Molecular dynamic (MD) simulation offered reasonable explanation of CNTs dispersion and their motion in polymer solution. Bi-mode finite-extensible-nonlinear-elastic (FENE) dumbbell simulation was used to analyze the influence of CNT length distribution on the stress tensor and shear-rate-dependent viscosity. Based on the simulated viscosity profile and empirical equations from experiments, a macroscale flow simulation model on the finite element method (FEM) method was developed and validated to predict resin flow behavior in the processing of CNT-enhanced multiscale composites. The proposed multiscale modeling method provided a comprehensive understanding of micro/nano flow in both atomistic details and mesoscale. The simulation model can be used to optimize process design and control of the mold-filling process in multiscale composite manufacturing. This research provided systematic investigations into the CNT-based multiscale composites. The results from this study may be used to leverage the benefits of CNTs and open up new application opportunities for high-performance multifunctional multiscale composites. Keywords. Carbon

Multiscale analysis of heart rate dynamics: entropy and time irreversibility measures.

Science.gov (United States)

Costa, Madalena D; Peng, Chung-Kang; Goldberger, Ary L

2008-06-01

Cardiovascular signals are largely analyzed using traditional time and frequency domain measures. However, such measures fail to account for important properties related to multiscale organization and non-equilibrium dynamics. The complementary role of conventional signal analysis methods and emerging multiscale techniques, is, therefore, an important frontier area of investigation. The key finding of this presentation is that two recently developed multiscale computational tools--multiscale entropy and multiscale time irreversibility--are able to extract information from cardiac interbeat interval time series not contained in traditional methods based on mean, variance or Fourier spectrum (two-point correlation) techniques. These new methods, with careful attention to their limitations, may be useful in diagnostics, risk stratification and detection of toxicity of cardiac drugs.

Coherent multiscale image processing using dual-tree quaternion wavelets.

Science.gov (United States)

Chan, Wai Lam; Choi, Hyeokho; Baraniuk, Richard G

2008-07-01

The dual-tree quaternion wavelet transform (QWT) is a new multiscale analysis tool for geometric image features. The QWT is a near shift-invariant tight frame representation whose coefficients sport a magnitude and three phases: two phases encode local image shifts while the third contains image texture information. The QWT is based on an alternative theory for the 2-D Hilbert transform and can be computed using a dual-tree filter bank with linear computational complexity. To demonstrate the properties of the QWT's coherent magnitude/phase representation, we develop an efficient and accurate procedure for estimating the local geometrical structure of an image. We also develop a new multiscale algorithm for estimating the disparity between a pair of images that is promising for image registration and flow estimation applications. The algorithm features multiscale phase unwrapping, linear complexity, and sub-pixel estimation accuracy.

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

Conformal-Based Surface Morphing and Multi-Scale Representation

Directory of Open Access Journals (Sweden)

Ka Chun Lam

2014-05-01

Full Text Available This paper presents two algorithms, based on conformal geometry, for the multi-scale representations of geometric shapes and surface morphing. A multi-scale surface representation aims to describe a 3D shape at different levels of geometric detail, which allows analyzing or editing surfaces at the global or local scales effectively. Surface morphing refers to the process of interpolating between two geometric shapes, which has been widely applied to estimate or analyze deformations in computer graphics, computer vision and medical imaging. In this work, we propose two geometric models for surface morphing and multi-scale representation for 3D surfaces. The basic idea is to represent a 3D surface by its mean curvature function, H, and conformal factor function λ, which uniquely determine the geometry of the surface according to Riemann surface theory. Once we have the (λ, H parameterization of the surface, post-processing of the surface can be done directly on the conformal parameter domain. In particular, the problem of multi-scale representations of shapes can be reduced to the signal filtering on the λ and H parameters. On the other hand, the surface morphing problem can be transformed to an interpolation process of two sets of (λ, H parameters. We test the proposed algorithms on 3D human face data and MRI-derived brain surfaces. Experimental results show that our proposed methods can effectively obtain multi-scale surface representations and give natural surface morphing results.

Multi-scale simulation for homogenization of cement media

International Nuclear Information System (INIS)

Abballe, T.

2011-01-01

To solve diffusion problems on cement media, two scales must be taken into account: a fine scale, which describes the micrometers wide microstructures present in the media, and a work scale, which is usually a few meters long. Direct numerical simulations are almost impossible because of the huge computational resources (memory, CPU time) required to assess both scales at the same time. To overcome this problem, we present in this thesis multi-scale resolution methods using both Finite Volumes and Finite Elements, along with their efficient implementations. More precisely, we developed a multi-scale simulation tool which uses the SALOME platform to mesh domains and post-process data, and the parallel calculation code MPCube to solve problems. This SALOME/MPCube tool can solve automatically and efficiently multi-scale simulations. Parallel structure of computer clusters can be use to dispatch the more time-consuming tasks. We optimized most functions to account for cement media specificities. We presents numerical experiments on various cement media samples, e.g. mortar and cement paste. From these results, we manage to compute a numerical effective diffusivity of our cement media and to reconstruct a fine scale solution. (author) [fr

Multiscale mechanics of dynamical metamaterials

NARCIS (Netherlands)

Geers, M.G.D.; Kouznetsova, V.; Sridhar, A.; Krushynska, A.; Kleiber, M.; Burczynski, T.; Wilde, K.; Gorski, J.; Winkelmann, K.; Smakosz, L.

2016-01-01

This contribution focuses on the computational multi-scale solution of wave propagation phenomena in dynamic metamaterials. Taking the Bloch-Floquet solution for the standard elastic case as a point of departure, an extended scheme is presented to solve for heterogeneous visco-elastic materials. The

Interobserver reliability of coronoid fracture classification: two-dimensional versus three-dimensional computed tomography

NARCIS (Netherlands)

Lindenhovius, Anneluuk; Karanicolas, Paul Jack; Bhandari, Mohit; van Dijk, Niek; Ring, David; Allan, Christopher; Anglen, Jeffrey; Axelrod, Terry; Baratz, Mark; Beingessner, Daphne; Brink, Peter; Cassidy, Charles; Coles, Chad; Conflitti, Joe; Crist, Brett; Della Rocca, Gregory; Dijkstra, Sander; Elmans, L. H. G. J.; Feibel, Roger; Flores, Luis; Frihagen, Frede; Gosens, Taco; Goslings, J. C.; Greenberg, Jeffrey; Grosso, Elena; Harness, Neil; van der Heide, Huub; Jeray, Kyle; Kalainov, David; van Kampen, Albert; Kawamura, Sumito; Kloen, Peter; McKee, Michael; Nork, Sean; Page, Richard; Pesantez, Rodrigo; Peters, Anil; Poolman, Rudolf; Prayson, Michael; Richardson, Martin; Seiler, John; Swiontkowski, Marc; Thomas, George; Trumble, Tom; van Vugt, Arie; Wright, Thomas; Zalavras, Charalampos; Zura, Robert

2009-01-01

This study tests the hypothesis that 3-dimensional computed tomography (CT) reconstructions improve interobserver agreement on classification and treatment of coronoid fractures compared with 2-dimensional CT. A total of 29 orthopedic surgeons evaluated 10 coronoid fractures on 2 occasions (first

Fast Multiscale Reservoir Simulations using POD-DEIM Model Reduction

KAUST Repository

Ghasemi, Mohammadreza; Yang, Yanfang; Gildin, Eduardo; Efendiev, Yalchin R.; Calo, Victor M.

2015-01-01

snapshots are inexpensively computed using local model reduction techniques based on Generalized Multiscale Finite Element Method (GMsFEM) which provides (1) a hierarchical approximation of snapshot vectors (2) adaptive computations by using coarse grids (3

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.

Towards an integrated multiscale simulation of turbulent clouds on PetaScale computers

International Nuclear Information System (INIS)

Wang Lianping; Ayala, Orlando; Parishani, Hossein; Gao, Guang R; Kambhamettu, Chandra; Li Xiaoming; Rossi, Louis; Orozco, Daniel; Torres, Claudio; Grabowski, Wojciech W; Wyszogrodzki, Andrzej A; Piotrowski, Zbigniew

2011-01-01

The development of precipitating warm clouds is affected by several effects of small-scale air turbulence including enhancement of droplet-droplet collision rate by turbulence, entrainment and mixing at the cloud edges, and coupling of mechanical and thermal energies at various scales. Large-scale computation is a viable research tool for quantifying these multiscale processes. Specifically, top-down large-eddy simulations (LES) of shallow convective clouds typically resolve scales of turbulent energy-containing eddies while the effects of turbulent cascade toward viscous dissipation are parameterized. Bottom-up hybrid direct numerical simulations (HDNS) of cloud microphysical processes resolve fully the dissipation-range flow scales but only partially the inertial subrange scales. it is desirable to systematically decrease the grid length in LES and increase the domain size in HDNS so that they can be better integrated to address the full range of scales and their coupling. In this paper, we discuss computational issues and physical modeling questions in expanding the ranges of scales realizable in LES and HDNS, and in bridging LES and HDNS. We review our on-going efforts in transforming our simulation codes towards PetaScale computing, in improving physical representations in LES and HDNS, and in developing better methods to analyze and interpret the simulation results.

Multiscale simulation of DC corona discharge and ozone generation from nanostructures

Science.gov (United States)

Wang, Pengxiang

simulation of corona discharges from nanostructures, a one-dimensional (1-D) multiscale model is used due to the prohibitive computational expense associated with two-dimensional (2-D) modeling. Near the nanoscale discharge electrode surface, a kinetic model based on PIC-MCC is used due to a relatively large Knudsen number in this region. Far away from the nanoscale discharge electrode, a continuum model is used since the Knudsen number is very small there. The multiscale modeling results are compared with experimental data. The quantitative agreement in positive discharges and qualitative agreement in negative discharges validate the modeling approach. The mechanism of sustaining the discharge process from nanostructures is revealed and is found to be different from that of discharge from micro- or macro-sized electrodes. Finally, the corona plasma model is combined with a plasma chemistry model and a transport model to predict the ozone production from the nanoscale corona. The dependence of ozone production on the applied potential and air velocity is studied. The electric field distribution in a 2-D multiscale domain (from nanoscale to microscale) is predicted by solving the Poisson's equation using a finite difference scheme. The discretized linear equations are solved using a multigrid method under the framework of PETSc on a paralleled supercomputer. Although the Poisson solver is able to resolve the multiscale field, the prohibitively long computation time limits the use of a 2-D solver in the current PIC-MCC scheme.

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%

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.

Multi-Scale Three-Dimensional Variational Data Assimilation System for Coastal Ocean Prediction

Science.gov (United States)

Li, Zhijin; Chao, Yi; Li, P. Peggy

2012-01-01

A multi-scale three-dimensional variational data assimilation system (MS-3DVAR) has been formulated and the associated software system has been developed for improving high-resolution coastal ocean prediction. This system helps improve coastal ocean prediction skill, and has been used in support of operational coastal ocean forecasting systems and field experiments. The system has been developed to improve the capability of data assimilation for assimilating, simultaneously and effectively, sparse vertical profiles and high-resolution remote sensing surface measurements into coastal ocean models, as well as constraining model biases. In this system, the cost function is decomposed into two separate units for the large- and small-scale components, respectively. As such, data assimilation is implemented sequentially from large to small scales, the background error covariance is constructed to be scale-dependent, and a scale-dependent dynamic balance is incorporated. This scheme then allows effective constraining large scales and model bias through assimilating sparse vertical profiles, and small scales through assimilating high-resolution surface measurements. This MS-3DVAR enhances the capability of the traditional 3DVAR for assimilating highly heterogeneously distributed observations, such as along-track satellite altimetry data, and particularly maximizing the extraction of information from limited numbers of vertical profile observations.

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.

Towards Faster FEM Simulation of Thin Film Superconductors: A Multiscale Approach

DEFF Research Database (Denmark)

Rodriguez Zermeno, Victor Manuel; Mijatovic, Nenad; Træholt, Chresten

2011-01-01

This work presents a method to simulate the electromagnetic properties of superconductors with high aspect ratio such as the commercially available second generation superconducting YBCO tapes. The method is based on a multiscale representation for both thickness and width of the superconducting...... at considerable lower computational time. Several test cases were simulated including transport current, externally applied magnetic field and a combination of both. The results are in good agreement with recently published numerical simulations. The computational time to solve the present multiscale approach...

Multiscale modeling, coarse-graining and shock wave computer simulationsin materials science

Directory of Open Access Journals (Sweden)

Martin O. Steinhauser

2017-12-01

Full Text Available My intention in this review article is to briefly discuss several major topics of presentdaycomputational materials science in order to show their importance for state-of-the-art materialsmodeling and computer simulation. The topics I discuss are multiscale modeling approaches forhierarchical systems such as biological macromolecules and related coarse-graining techniques, whichprovide an effcient means to investigate systems on the mesoscale, and shock wave physics whichhas many important and interesting multi- and interdisciplinary applications in research areas wherephysics, biology, chemistry, computer science, medicine and even engineering meet. In fact, recently,as a new emerging field, the use of coarse-grained approaches for the simulation of biologicalmacromolecules such as lipids and bilayer membranes and the investigation of their interaction withshock waves has become very popular. This emerging area of research may contribute not only toan improved understanding of the microscopic details of molecular self-assembly but may also leadto enhanced medical tumor treatments which are based on the destructive effects of High IntensityFocused Ultrasound (HIFU or shock waves when interacting with biological cells and tissue; theseare treatments which have been used in medicine for many years, but which are not well understoodfrom a fundamental physical point of view.

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 time-dependent density functional theory: Demonstration for plasmons.

Science.gov (United States)

Jiang, Jiajian; Abi Mansour, Andrew; Ortoleva, Peter J

2017-08-07

Plasmon properties are of significant interest in pure and applied nanoscience. While time-dependent density functional theory (TDDFT) can be used to study plasmons, it becomes impractical for elucidating the effect of size, geometric arrangement, and dimensionality in complex nanosystems. In this study, a new multiscale formalism that addresses this challenge is proposed. This formalism is based on Trotter factorization and the explicit introduction of a coarse-grained (CG) structure function constructed as the Weierstrass transform of the electron wavefunction. This CG structure function is shown to vary on a time scale much longer than that of the latter. A multiscale propagator that coevolves both the CG structure function and the electron wavefunction is shown to bring substantial efficiency over classical propagators used in TDDFT. This efficiency follows from the enhanced numerical stability of the multiscale method and the consequence of larger time steps that can be used in a discrete time evolution. The multiscale algorithm is demonstrated for plasmons in a group of interacting sodium nanoparticles (15-240 atoms), and it achieves improved efficiency over TDDFT without significant loss of accuracy or space-time resolution.

Long-term Stable Conservative Multiscale Methods for Vortex Flows

Science.gov (United States)

2017-10-31

Computing Department, Florida State (January 2016) - L. Rebholz, SIAM Southeast 2016, Special session on Recent advances in fluid flow and...Multiscale Methods for Vortex Flows (x) Material has been given an OPSEC review and it has been determined to be non sensitive and, except for...distribution is unlimited. UU UU UU UU 31-10-2017 1-Aug-2014 31-Jul-2017 Final Report: Long-term Stable Conservative Multiscale Methods for Vortex Flows

Three dimensional reconstruction of computed tomographic images by computer graphics method

International Nuclear Information System (INIS)

Kashiwagi, Toru; Kimura, Kazufumi.

1986-01-01

A three dimensional computer reconstruction system for CT images has been developed in a commonly used radionuclide data processing system using a computer graphics technique. The three dimensional model was constructed from organ surface information of CT images (slice thickness: 5 or 10 mm). Surface contours of the organs were extracted manually from a set of parallel transverse CT slices in serial order and stored in the computer memory. Interpolation was made between a set of the extracted contours by cubic spline functions, then three dimensional models were reconstructed. The three dimensional images were displayed as a wire-frame and/or solid models on the color CRT. Solid model images were obtained as follows. The organ surface constructed from contours was divided into many triangular patches. The intensity of light to each patch was calculated from the direction of incident light, eye position and the normal to the triangular patch. Firstly, this system was applied to the liver phantom. Reconstructed images of the liver phantom were coincident with the actual object. This system also has been applied to human various organs such as brain, lung, liver, etc. The anatomical organ surface was realistically viewed from any direction. The images made us more easily understand the location and configuration of organs in vivo than original CT images. Furthermore, spacial relationship among organs and/or lesions was clearly obtained by superimposition of wire-frame and/or different colored solid models. Therefore, it is expected that this system is clinically useful for evaluating the patho-morphological changes in broad perspective. (author)

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

Multiscale phenomenology of the cosmic web

NARCIS (Netherlands)

Aragón-Calvo, Miguel A.; van de Weygaert, Rien; Jones, Bernard J. T.

2010-01-01

We analyse the structure and connectivity of the distinct morphologies that define the cosmic web. With the help of our multiscale morphology filter (MMF), we dissect the matter distribution of a cosmological Lambda cold dark matter N-body computer simulation into cluster, filaments and walls. The

Multiscale decomposition for heterogeneous land-atmosphere systems

Science.gov (United States)

Liu, Shaofeng; Shao, Yaping; Hintz, Michael; Lennartz-Sassinek, Sabine

2015-02-01

The land-atmosphere system is characterized by pronounced land surface heterogeneity and vigorous atmospheric turbulence both covering a wide range of scales. The multiscale surface heterogeneities and multiscale turbulent eddies interact nonlinearly with each other. Understanding these multiscale processes quantitatively is essential to the subgrid parameterizations for weather and climate models. In this paper, we propose a method for surface heterogeneity quantification and turbulence structure identification. The first part of the method is an orthogonal transform in the probability density function (PDF) domain, in contrast to the orthogonal wavelet transforms which are performed in the physical space. As the basis of the whole method, the orthogonal PDF transform (OPT) is used to asymptotically reconstruct the original signals by representing the signal values with multilevel approximations. The "patch" idea is then applied to these reconstructed fields in order to recognize areas at the land surface or in turbulent flows that are of the same characteristics. A patch here is a connected area with the same approximation. For each recognized patch, a length scale is then defined to build the energy spectrum. The OPT and related energy spectrum analysis, as a whole referred to as the orthogonal PDF decomposition (OPD), is applied to two-dimensional heterogeneous land surfaces and atmospheric turbulence fields for test. The results show that compared to the wavelet transforms, the OPD can reconstruct the original signal more effectively, and accordingly, its energy spectrum represents the signal's multiscale variation more accurately. The method we propose in this paper is of general nature and therefore can be of interest for problems of multiscale process description in other geophysical disciplines.

Systematic Errors in Dimensional X-ray Computed Tomography

DEFF Research Database (Denmark)

that it is possible to compensate them. In dimensional X-ray computed tomography (CT), many physical quantities influence the final result. However, it is important to know which factors in CT measurements potentially lead to systematic errors. In this talk, typical error sources in dimensional X-ray CT are discussed...

Integrated multiscale biomaterials experiment and modelling: a perspective

Science.gov (United States)

Buehler, Markus J.; Genin, Guy M.

2016-01-01

Advances in multiscale models and computational power have enabled a broad toolset to predict how molecules, cells, tissues and organs behave and develop. A key theme in biological systems is the emergence of macroscale behaviour from collective behaviours across a range of length and timescales, and a key element of these models is therefore hierarchical simulation. However, this predictive capacity has far outstripped our ability to validate predictions experimentally, particularly when multiple hierarchical levels are involved. The state of the art represents careful integration of multiscale experiment and modelling, and yields not only validation, but also insights into deformation and relaxation mechanisms across scales. We present here a sampling of key results that highlight both challenges and opportunities for integrated multiscale experiment and modelling in biological systems. PMID:28981126

Multiscale empirical interpolation for solving nonlinear PDEs

KAUST Repository

Calo, Victor M.; Efendiev, Yalchin R.; Galvis, Juan; Ghommem, Mehdi

2014-01-01

residuals and Jacobians on the fine grid. We use empirical interpolation concepts to evaluate these residuals and Jacobians of the multiscale system with a computational cost which is proportional to the size of the coarse-scale problem rather than the fully

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

A Tensor-Product-Kernel Framework for Multiscale Neural Activity Decoding and Control

Science.gov (United States)

Li, Lin; Brockmeier, Austin J.; Choi, John S.; Francis, Joseph T.; Sanchez, Justin C.; Príncipe, José C.

2014-01-01

Brain machine interfaces (BMIs) have attracted intense attention as a promising technology for directly interfacing computers or prostheses with the brain's motor and sensory areas, thereby bypassing the body. The availability of multiscale neural recordings including spike trains and local field potentials (LFPs) brings potential opportunities to enhance computational modeling by enriching the characterization of the neural system state. However, heterogeneity on data type (spike timing versus continuous amplitude signals) and spatiotemporal scale complicates the model integration of multiscale neural activity. In this paper, we propose a tensor-product-kernel-based framework to integrate the multiscale activity and exploit the complementary information available in multiscale neural activity. This provides a common mathematical framework for incorporating signals from different domains. The approach is applied to the problem of neural decoding and control. For neural decoding, the framework is able to identify the nonlinear functional relationship between the multiscale neural responses and the stimuli using general purpose kernel adaptive filtering. In a sensory stimulation experiment, the tensor-product-kernel decoder outperforms decoders that use only a single neural data type. In addition, an adaptive inverse controller for delivering electrical microstimulation patterns that utilizes the tensor-product kernel achieves promising results in emulating the responses to natural stimulation. PMID:24829569

Generalized Multiscale Finite Element Methods for Wave Propagation in Heterogeneous Media

KAUST Repository

Chung, Eric T.

2014-11-13

Numerical modeling of wave propagation in heterogeneous media is important in many applications. Due to their complex nature, direct numerical simulations on the fine grid are prohibitively expensive. It is therefore important to develop efficient and accurate methods that allow the use of coarse grids. In this paper, we present a multiscale finite element method for wave propagation on a coarse grid. The proposed method is based on the generalized multiscale finite element method (GMsFEM) (see [Y. Efendiev, J. Galvis, and T. Hou, J. Comput. Phys., 251 (2012), pp. 116--135]). To construct multiscale basis functions, we start with two snapshot spaces in each coarse-grid block, where one represents the degrees of freedom on the boundary and the other represents the degrees of freedom in the interior. We use local spectral problems to identify important modes in each snapshot space. These local spectral problems are different from each other and their formulations are based on the analysis. To the best of knowledge, this is the first time that multiple snapshot spaces and multiple spectral problems are used and necessary for efficient computations. Using the dominant modes from local spectral problems, multiscale basis functions are constructed to represent the solution space locally within each coarse block. These multiscale basis functions are coupled via the symmetric interior penalty discontinuous Galerkin method which provides a block diagonal mass matrix and, consequently, results in fast computations in an explicit time discretization. Our methods\\' stability and spectral convergence are rigorously analyzed. Numerical examples are presented to show our methods\\' performance. We also test oversampling strategies. In particular, we discuss how the modes from different snapshot spaces can affect the proposed methods\\' accuracy.

Microstructure representations for sound absorbing fibrous media: 3D and 2D multiscale modelling and experiments

Science.gov (United States)

Zieliński, Tomasz G.

2017-11-01

The paper proposes and investigates computationally-efficient microstructure representations for sound absorbing fibrous media. Three-dimensional volume elements involving non-trivial periodic arrangements of straight fibres are examined as well as simple two-dimensional cells. It has been found that a simple 2D quasi-representative cell can provide similar predictions as a volume element which is in general much more geometrically accurate for typical fibrous materials. The multiscale modelling allowed to determine the effective speeds and damping of acoustic waves propagating in such media, which brings up a discussion on the correlation between the speed, penetration range and attenuation of sound waves. Original experiments on manufactured copper-wire samples are presented and the microstructure-based calculations of acoustic absorption are compared with the corresponding experimental results. In fact, the comparison suggested the microstructure modifications leading to representations with non-uniformly distributed fibres.

A comparative study of three-dimensional reconstructive images of temporomandibular joint using computed tomogram

International Nuclear Information System (INIS)

Lim, Suk Young; Koh, Kwang Joon

1993-01-01

The purpose of this study was to clarify the spatial relationship of temporomandibular joint and to an aid in the diagnosis of temporomandibular disorder. For this study, three-dimensional images of normal temporomandibular joint were reconstructed by computer image analysis system and three-dimensional reconstructive program integrated in computed tomography. The obtained results were as follows : 1. Two-dimensional computed tomograms had the better resolution than three dimensional computed tomograms in the evaluation of bone structure and the disk of TMJ. 2. Direct sagittal computed tomograms and coronal computed tomograms had the better resolution in the evaluation of the disk of TMJ. 3. The positional relationship of the disk could be visualized, but the configuration of the disk could not be clearly visualized on three-dimensional reconstructive CT images. 4. Three-dimensional reconstructive CT images had the smoother margin than three-dimensional images reconstructed by computer image analysis system, but the images of the latter had the better perspective. 5. Three-dimensional reconstructive images had the better spatial relationship of the TMJ articulation, and the joint space were more clearly visualized on dissection images.

Three-dimensional analysis of craniofacial bones using three-dimensional computer tomography

Energy Technology Data Exchange (ETDEWEB)

Ono, Ichiro; Ohura, Takehiko; Kimura, Chu (Hokkaido Univ., Sapporo (Japan). School of Medicine) (and others)

1989-08-01

Three-dimensional computer tomography (3DCT) was performed in patients with various diseases to visualize stereoscopically the deformity of the craniofacial bones. The data obtained were analyzed by the 3DCT analyzing system. A new coordinate system was established using the median sagittal plane of the face (a plane passing through sella, nasion and basion) on the three-dimensional image. Three-dimensional profilograms were prepared for detailed analysis of the deformation of craniofacial bones for cleft lip and palate, mandibular prognathia and hemifacial microsomia. For patients, asymmetry in the frontal view and twist-formed complicated deformities were observed, as well as deformity of profiles in the anteroposterior and up-and-down directions. A newly developed technique allows three-dimensional visualization of changes in craniofacial deformity. It would aid in determining surgical strategy, including crani-facial surgery and maxillo-facial surgery, and in evaluating surgical outcome. (N.K.).

Three-dimensional analysis of craniofacial bones using three-dimensional computer tomography

International Nuclear Information System (INIS)

Ono, Ichiro; Ohura, Takehiko; Kimura, Chu

1989-01-01

Three-dimensional computer tomography (3DCT) was performed in patients with various diseases to visualize stereoscopically the deformity of the craniofacial bones. The data obtained were analyzed by the 3DCT analyzing system. A new coordinate system was established using the median sagittal plane of the face (a plane passing through sella, nasion and basion) on the three-dimensional image. Three-dimensional profilograms were prepared for detailed analysis of the deformation of craniofacial bones for cleft lip and palate, mandibular prognathia and hemifacial microsomia. For patients, asymmetry in the frontal view and twist-formed complicated deformities were observed, as well as deformity of profiles in the anteroposterior and up-and-down directions. A newly developed technique allows three-dimensional visualization of changes in craniofacial deformity. It would aid in determining surgical strategy, including crani-facial surgery and maxillo-facial surgery, and in evaluating surgical outcome. (N.K.)

A fast random walk algorithm for computing the pulsed-gradient spin-echo signal in multiscale porous media.

Science.gov (United States)

Grebenkov, Denis S

2011-02-01

A new method for computing the signal attenuation due to restricted diffusion in a linear magnetic field gradient is proposed. A fast random walk (FRW) algorithm for simulating random trajectories of diffusing spin-bearing particles is combined with gradient encoding. As random moves of a FRW are continuously adapted to local geometrical length scales, the method is efficient for simulating pulsed-gradient spin-echo experiments in hierarchical or multiscale porous media such as concrete, sandstones, sedimentary rocks and, potentially, brain or lungs. Copyright © 2010 Elsevier Inc. All rights reserved.

Multi-scale simulation of droplet-droplet interactions and coalescence

CSIR Research Space (South Africa)

Musehane, Ndivhuwo M

2016-10-01

Full Text Available Conference on Computational and Applied Mechanics Potchefstroom 3–5 October 2016 Multi-scale simulation of droplet-droplet interactions and coalescence 1,2Ndivhuwo M. Musehane?, 1Oliver F. Oxtoby and 2Daya B. Reddy 1. Aeronautic Systems, Council... topology changes that result when droplets interact. This work endeavours to eliminate the need to use empirical correlations based on phenomenological models by developing a multi-scale model that predicts the outcome of a collision between droplets from...

Multiscale singularity trees

DEFF Research Database (Denmark)

Somchaipeng, Kerawit; Sporring, Jon; Johansen, Peter

2007-01-01

We propose MultiScale Singularity Trees (MSSTs) as a structure to represent images, and we propose an algorithm for image comparison based on comparing MSSTs. The algorithm is tested on 3 public image databases and compared to 2 state-of-theart methods. We conclude that the computational complexity...... of our algorithm only allows for the comparison of small trees, and that the results of our method are comparable with state-of-the-art using much fewer parameters for image representation....

Fast multiview three-dimensional reconstruction method using cost volume filtering

Science.gov (United States)

Lee, Seung Joo; Park, Min Ki; Jang, In Yeop; Lee, Kwan H.

2014-03-01

As the number of customers who want to record three-dimensional (3-D) information using a mobile electronic device increases, it becomes more and more important to develop a method which quickly reconstructs a 3-D model from multiview images. A fast multiview-based 3-D reconstruction method is presented, which is suitable for the mobile environment by constructing a cost volume of the 3-D height field. This method consists of two steps: the construction of a reliable base surface and the recovery of shape details. In each step, the cost volume is constructed using photoconsistency and then it is filtered according to the multiscale. The multiscale-based cost volume filtering allows the 3-D reconstruction to maintain the overall shape and to preserve the shape details. We demonstrate the strength of the proposed method in terms of computation time, accuracy, and unconstrained acquisition environment.

Multiscale time-splitting strategy for multiscale multiphysics processes of two-phase flow in fractured media

KAUST Repository

Sun, S.; Kou, J.; Yu, B.

2011-01-01

The temporal discretization scheme is one important ingredient of efficient simulator for two-phase flow in the fractured porous media. The application of single-scale temporal scheme is restricted by the rapid changes of the pressure and saturation in the fractured system with capillarity. In this paper, we propose a multi-scale time splitting strategy to simulate multi-scale multi-physics processes of two-phase flow in fractured porous media. We use the multi-scale time schemes for both the pressure and saturation equations; that is, a large time-step size is employed for the matrix domain, along with a small time-step size being applied in the fractures. The total time interval is partitioned into four temporal levels: the first level is used for the pressure in the entire domain, the second level matching rapid changes of the pressure in the fractures, the third level treating the response gap between the pressure and the saturation, and the fourth level applied for the saturation in the fractures. This method can reduce the computational cost arisen from the implicit solution of the pressure equation. Numerical examples are provided to demonstrate the efficiency of the proposed method.

Computed tomography and three-dimensional imaging

International Nuclear Information System (INIS)

Harris, L.D.; Ritman, E.L.; Robb, R.A.

1987-01-01

Presented here is a brief introduction to two-, three-, and four-dimensional computed tomography. More detailed descriptions of the mathematics of reconstruction and of CT scanner operation are presented elsewhere. The complementary tomographic imaging methods of single-photon-emission tomography (SPECT) positron-emission tomography (PET), nuclear magnetic resonance (NMR) imaging, ulltrasound sector scanning, and ulltrasound computer-assisted tomography [UCAT] are only named here. Each imaging modality ''probes'' the body with a different energy form, yielding unique and useful information about tomographic sections through the body

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.

The discharge behavior of lithium-ion batteries using the Dual-Potential Multi-Scale Multi-Dimensional (MSMD) Battery Model

DEFF Research Database (Denmark)

Saeed Madani, Seyed; Swierczynski, Maciej Jozef; Kær, Søren Knudsen

2017-01-01

This paper gives insight into the discharge behavior of lithium-ion batteries based on the investigations, which have been done by the researchers [1– 19]. In this article, the battery's discharge behaviour at various discharge rates is studied and surface monitor, discharge curve, volume monitor...... to analysis the discharge behaviour of lithium-ion batteries. The results show that surface monitor plot of discharge curve at 1 C has a decreasing trend and volume monitor plot of maximum temperature in the domain has slightly increasing pattern over the simulation time. For the curves of discharge...... plot of maximum temperature in the domain and maximum temperature in the area are illustrated. Additionally, an external and internal short-circuit treatment for three cases have been studied. The Dual-Potential Multi-Scale Multi-Dimensional (MSMD) Battery Model (BM) was used by ANSYS FLUENT software...

Computational design and multiscale modeling of a nanoactuator using DNA actuation

International Nuclear Information System (INIS)

Hamdi, Mustapha

2009-01-01

Developments in the field of nano-biodevices coupling nanostructures and biological components are of great interest in medical nanorobotics. As the fundamentals of bio/non-bio interaction processes are still poorly understood in the design of these devices, design tools and multiscale dynamics modeling approaches are necessary at the fabrication pre-project stage. This paper proposes a new concept of optimized carbon nanotube based servomotor design for drug delivery and biomolecular transport applications. The design of an encapsulated DNA-multi-walled carbon nanotube actuator is prototyped using multiscale modeling. The system is parametrized by using a quantum level approach and characterized by using a molecular dynamics simulation. Based on the analysis of the simulation results, a servo nanoactuator using ionic current feedback is simulated and analyzed for application as a drug delivery carrier.

A generalized multiscale finite element method for elastic wave propagation in fractured media

KAUST Repository

Chung, Eric T.

2016-02-26

In this paper, we consider elastic wave propagation in fractured media applying a linear-slip model to represent the effects of fractures on the wavefield. Fractured media, typically, are highly heterogeneous due to multiple length scales. Direct numerical simulations for wave propagation in highly heterogeneous fractured media can be computationally expensive and require some type of model reduction. We develop a multiscale model reduction technique that captures the complex nature of the media (heterogeneities and fractures) in the coarse scale system. The proposed method is based on the generalized multiscale finite element method, where the multiscale basis functions are constructed to capture the fine-scale information of the heterogeneous, fractured media and effectively reduce the degrees of freedom. These multiscale basis functions are coupled via the interior penalty discontinuous Galerkin method, which provides a block-diagonal mass matrix. The latter is needed for fast computation in an explicit time discretization, which is used in our simulations. Numerical results are presented to show the performance of the presented multiscale method for fractured media. We consider several cases where fractured media contain fractures of multiple lengths. Our numerical results show that the proposed reduced-order models can provide accurate approximations for the fine-scale solution.

A generalized multiscale finite element method for elastic wave propagation in fractured media

KAUST Repository

Chung, Eric T.; Efendiev, Yalchin R.; Gibson, Richard L.; Vasilyeva, Maria

2016-01-01

In this paper, we consider elastic wave propagation in fractured media applying a linear-slip model to represent the effects of fractures on the wavefield. Fractured media, typically, are highly heterogeneous due to multiple length scales. Direct numerical simulations for wave propagation in highly heterogeneous fractured media can be computationally expensive and require some type of model reduction. We develop a multiscale model reduction technique that captures the complex nature of the media (heterogeneities and fractures) in the coarse scale system. The proposed method is based on the generalized multiscale finite element method, where the multiscale basis functions are constructed to capture the fine-scale information of the heterogeneous, fractured media and effectively reduce the degrees of freedom. These multiscale basis functions are coupled via the interior penalty discontinuous Galerkin method, which provides a block-diagonal mass matrix. The latter is needed for fast computation in an explicit time discretization, which is used in our simulations. Numerical results are presented to show the performance of the presented multiscale method for fractured media. We consider several cases where fractured media contain fractures of multiple lengths. Our numerical results show that the proposed reduced-order models can provide accurate approximations for the fine-scale solution.

Mixed Generalized Multiscale Finite Element Methods and Applications

KAUST Repository

Chung, Eric T.

2015-03-03

In this paper, we present a mixed generalized multiscale finite element method (GMsFEM) for solving flow in heterogeneous media. Our approach constructs multiscale basis functions following a GMsFEM framework and couples these basis functions using a mixed finite element method, which allows us to obtain a mass conservative velocity field. To construct multiscale basis functions for each coarse edge, we design a snapshot space that consists of fine-scale velocity fields supported in a union of two coarse regions that share the common interface. The snapshot vectors have zero Neumann boundary conditions on the outer boundaries, and we prescribe their values on the common interface. We describe several spectral decompositions in the snapshot space motivated by the analysis. In the paper, we also study oversampling approaches that enhance the accuracy of mixed GMsFEM. A main idea of oversampling techniques is to introduce a small dimensional snapshot space. We present numerical results for two-phase flow and transport, without updating basis functions in time. Our numerical results show that one can achieve good accuracy with a few basis functions per coarse edge if one selects appropriate offline spaces. © 2015 Society for Industrial and Applied Mathematics.

Examining Multiscale Movement Coordination in Collaborative Problem Solving

DEFF Research Database (Denmark)

Wiltshire, Travis; Steffensen, Sune Vork

2017-01-01

During collaborative problem solving (CPS), coordination occurs at different spatial and temporal scales. This multiscale coordination should, at least on some scales, play a functional role in facilitating effective collaboration outcomes. To evaluate this, we conducted a study of computer...

Modeling of mesoscale dispersion effect on the piezoresistivity of carbon nanotube-polymer nanocomposites via 3D computational multiscale micromechanics methods

International Nuclear Information System (INIS)

Ren, Xiang; Seidel, Gary D; Chaurasia, Adarsh K; Oliva-Avilés, Andrés I; Ku-Herrera, José J; Avilés, Francis

2015-01-01

In uniaxial tension and compression experiments, carbon nanotube (CNT)-polymer nanocomposites have demonstrated exceptional mechanical and coupled electrostatic properties in the form of piezoresistivity. In order to better understand the correlation of the piezoresistive response with the CNT dispersion at the mesoscale, a 3D computational multiscale micromechanics model based on finite element analysis is constructed to predict the effective macroscale piezoresistive response of CNT/polymer nanocomposites. The key factors that may contribute to the overall piezoresistive response, i.e. the nanoscale electrical tunneling effect, the inherent CNT piezoresistivity and the CNT mesoscale network effect are incorporated in the model based on a 3D multiscale mechanical–electrostatic coupled code. The results not only explain how different nanoscale mechanisms influence the overall macroscale piezoresistive response through the mesoscale CNT network, but also give reason and provide bounds for the wide range of gauge factors found in the literature offering insight regarding how control of the mesoscale CNT networks can be used to tailor nanocomposite piezoresistive response. (paper)

Multi-scale theory-assisted nano-engineering of plasmonic-organic hybrid electro-optic device performance

Science.gov (United States)

Elder, Delwin L.; Johnson, Lewis E.; Tillack, Andreas F.; Robinson, Bruce H.; Haffner, Christian; Heni, Wolfgang; Hoessbacher, Claudia; Fedoryshyn, Yuriy; Salamin, Yannick; Baeuerle, Benedikt; Josten, Arne; Ayata, Masafumi; Koch, Ueli; Leuthold, Juerg; Dalton, Larry R.

2018-02-01

Multi-scale (correlated quantum and statistical mechanics) modeling methods have been advanced and employed to guide the improvement of organic electro-optic (OEO) materials, including by analyzing electric field poling induced electro-optic activity in nanoscopic plasmonic-organic hybrid (POH) waveguide devices. The analysis of in-device electro-optic activity emphasizes the importance of considering both the details of intermolecular interactions within organic electro-optic materials and interactions at interfaces between OEO materials and device architectures. Dramatic improvement in electro-optic device performance-including voltage-length performance, bandwidth, energy efficiency, and lower optical losses have been realized. These improvements are critical to applications in telecommunications, computing, sensor technology, and metrology. Multi-scale modeling methods illustrate the complexity of improving the electro-optic activity of organic materials, including the necessity of considering the trade-off between improving poling-induced acentric order through chromophore modification and the reduction of chromophore number density associated with such modification. Computational simulations also emphasize the importance of developing chromophore modifications that serve multiple purposes including matrix hardening for enhanced thermal and photochemical stability, control of matrix dimensionality, influence on material viscoelasticity, improvement of chromophore molecular hyperpolarizability, control of material dielectric permittivity and index of refraction properties, and control of material conductance. Consideration of new device architectures is critical to the implementation of chipscale integration of electronics and photonics and achieving the high bandwidths for applications such as next generation (e.g., 5G) telecommunications.

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.

Multiscale modeling and nested simulations of three-dimensional ionospheric plasmas: Rayleigh–Taylor turbulence and nonequilibrium layer dynamics at fine scales

International Nuclear Information System (INIS)

Mahalov, Alex

2014-01-01

Multiscale modeling and high resolution three-dimensional simulations of nonequilibrium ionospheric dynamics are major frontiers in the field of space sciences. The latest developments in fast computational algorithms and novel numerical methods have advanced reliable forecasting of ionospheric environments at fine scales. These new capabilities include improved physics-based predictive modeling, nesting and implicit relaxation techniques that are designed to integrate models of disparate scales. A range of scales, from mesoscale to ionospheric microscale, are included in a 3D modeling framework. Analyses and simulations of primary and secondary Rayleigh–Taylor instabilities in the equatorial spread F (ESF), the response of the plasma density to the neutral turbulent dynamics, and wave breaking in the lower region of the ionosphere and nonequilibrium layer dynamics at fine scales are presented for coupled systems (ions, electrons and neutral winds), thus enabling studies of mesoscale/microscale dynamics for a range of altitudes that encompass the ionospheric E and F layers. We examine the organizing mixing patterns for plasma flows, which occur due to polarized gravity wave excitations in the neutral field, using Lagrangian coherent structures (LCS). LCS objectively depict the flow topology and the extracted scintillation-producing irregularities that indicate a generation of ionospheric density gradients, due to the accumulation of plasma. The scintillation effects in propagation, through strongly inhomogeneous ionospheric media, are induced by trapping electromagnetic (EM) waves in parabolic cavities, which are created by the refractive index gradients along the propagation paths. (paper)

Single Image Super-Resolution Based on Multi-Scale Competitive Convolutional Neural Network.

Science.gov (United States)

Du, Xiaofeng; Qu, Xiaobo; He, Yifan; Guo, Di

2018-03-06

Deep convolutional neural networks (CNNs) are successful in single-image super-resolution. Traditional CNNs are limited to exploit multi-scale contextual information for image reconstruction due to the fixed convolutional kernel in their building modules. To restore various scales of image details, we enhance the multi-scale inference capability of CNNs by introducing competition among multi-scale convolutional filters, and build up a shallow network under limited computational resources. The proposed network has the following two advantages: (1) the multi-scale convolutional kernel provides the multi-context for image super-resolution, and (2) the maximum competitive strategy adaptively chooses the optimal scale of information for image reconstruction. Our experimental results on image super-resolution show that the performance of the proposed network outperforms the state-of-the-art methods.

[Three-dimensional computer aided design for individualized post-and-core restoration].

Science.gov (United States)

Gu, Xiao-yu; Wang, Ya-ping; Wang, Yong; Lü, Pei-jun

2009-10-01

To develop a method of three-dimensional computer aided design (CAD) of post-and-core restoration. Two plaster casts with extracted natural teeth were used in this study. The extracted teeth were prepared and scanned using tomography method to obtain three-dimensional digitalized models. According to the basic rules of post-and-core design, posts, cores and cavity surfaces of the teeth were designed using the tools for processing point clouds, curves and surfaces on the forward engineering software of Tanglong prosthodontic system. Then three-dimensional figures of the final restorations were corrected according to the configurations of anterior teeth, premolars and molars respectively. Computer aided design of 14 post-and-core restorations were finished, and good fitness between the restoration and the three-dimensional digital models were obtained. Appropriate retention forms and enough spaces for the full crown restorations can be obtained through this method. The CAD of three-dimensional figures of the post-and-core restorations can fulfill clinical requirements. Therefore they can be used in computer-aided manufacture (CAM) of post-and-core restorations.

3D deblending of simultaneous source data based on 3D multi-scale shaping operator

Science.gov (United States)

Zu, Shaohuan; Zhou, Hui; Mao, Weijian; Gong, Fei; Huang, Weilin

2018-04-01

We propose an iterative three-dimensional (3D) deblending scheme using 3D multi-scale shaping operator to separate 3D simultaneous source data. The proposed scheme is based on the property that signal is coherent, whereas interference is incoherent in some domains, e.g., common receiver domain and common midpoint domain. In two-dimensional (2D) blended record, the coherency difference of signal and interference is in only one spatial direction. Compared with 2D deblending, the 3D deblending can take more sparse constraints into consideration to obtain better performance, e.g., in 3D common receiver gather, the coherency difference is in two spatial directions. Furthermore, with different levels of coherency, signal and interference distribute in different scale curvelet domains. In both 2D and 3D blended records, most coherent signal locates in coarse scale curvelet domain, while most incoherent interference distributes in fine scale curvelet domain. The scale difference is larger in 3D deblending, thus, we apply the multi-scale shaping scheme to further improve the 3D deblending performance. We evaluate the performance of 3D and 2D deblending with the multi-scale and global shaping operators, respectively. One synthetic and one field data examples demonstrate the advantage of the 3D deblending with 3D multi-scale shaping operator.

Multi-scale computation methods: Their applications in lithium-ion battery research and development

Science.gov (United States)

Siqi, Shi; Jian, Gao; Yue, Liu; Yan, Zhao; Qu, Wu; Wangwei, Ju; Chuying, Ouyang; Ruijuan, Xiao

2016-01-01

Based upon advances in theoretical algorithms, modeling and simulations, and computer technologies, the rational design of materials, cells, devices, and packs in the field of lithium-ion batteries is being realized incrementally and will at some point trigger a paradigm revolution by combining calculations and experiments linked by a big shared database, enabling accelerated development of the whole industrial chain. Theory and multi-scale modeling and simulation, as supplements to experimental efforts, can help greatly to close some of the current experimental and technological gaps, as well as predict path-independent properties and help to fundamentally understand path-independent performance in multiple spatial and temporal scales. Project supported by the National Natural Science Foundation of China (Grant Nos. 51372228 and 11234013), the National High Technology Research and Development Program of China (Grant No. 2015AA034201), and Shanghai Pujiang Program, China (Grant No. 14PJ1403900).

A Multiscale Enrichment Procedure for Nonlinear Monotone Operators

KAUST Repository

Efendiev, Yalchin R.; Galvis, J.; Presho, M.; Zhou, J.

2014-01-01

. Galvis, R. Lazarov, S. Margenov and J. Ren, Robust two-level domain decomposition preconditioners for high-contrast anisotropic flows in multiscale media. Submitted.; Y. Efendiev, J. Galvis and X. Wu, J. Comput. Phys. 230 (2011) 937–955; J. Galvis and Y

Multiscale integration of -omic, imaging, and clinical data in biomedical informatics.

Science.gov (United States)

Phan, John H; Quo, Chang F; Cheng, Chihwen; Wang, May Dongmei

2012-01-01

This paper reviews challenges and opportunities in multiscale data integration for biomedical informatics. Biomedical data can come from different biological origins, data acquisition technologies, and clinical applications. Integrating such data across multiple scales (e.g., molecular, cellular/tissue, and patient) can lead to more informed decisions for personalized, predictive, and preventive medicine. However, data heterogeneity, community standards in data acquisition, and computational complexity are big challenges for such decision making. This review describes genomic and proteomic (i.e., molecular), histopathological imaging (i.e., cellular/tissue), and clinical (i.e., patient) data; it includes case studies for single-scale (e.g., combining genomic or histopathological image data), multiscale (e.g., combining histopathological image and clinical data), and multiscale and multiplatform (e.g., the Human Protein Atlas and The Cancer Genome Atlas) data integration. Numerous opportunities exist in biomedical informatics research focusing on integration of multiscale and multiplatform data.

An accurate and computationally efficient small-scale nonlinear FEA of flexible risers

OpenAIRE

Rahmati, MT; Bahai, H; Alfano, G

2016-01-01

This paper presents a highly efficient small-scale, detailed finite-element modelling method for flexible risers which can be effectively implemented in a fully-nested (FE2) multiscale analysis based on computational homogenisation. By exploiting cyclic symmetry and applying periodic boundary conditions, only a small fraction of a flexible pipe is used for a detailed nonlinear finite-element analysis at the small scale. In this model, using three-dimensional elements, all layer components are...

Accelerating Development of EV Batteries Through Computer-Aided Engineering (Presentation)

Energy Technology Data Exchange (ETDEWEB)

Pesaran, A.; Kim, G. H.; Smith, K.; Santhanagopalan, S.

2012-12-01

The Department of Energy's Vehicle Technology Program has launched the Computer-Aided Engineering for Automotive Batteries (CAEBAT) project to work with national labs, industry and software venders to develop sophisticated software. As coordinator, NREL has teamed with a number of companies to help improve and accelerate battery design and production. This presentation provides an overview of CAEBAT, including its predictive computer simulation of Li-ion batteries known as the Multi-Scale Multi-Dimensional (MSMD) model framework. MSMD's modular, flexible architecture connects the physics of battery charge/discharge processes, thermal control, safety and reliability in a computationally efficient manner. This allows independent development of submodels at the cell and pack levels.

Analysis of global multiscale finite element methods for wave equations with continuum spatial scales

KAUST Repository

Jiang, Lijian; Efendiev, Yalchin; Ginting, Victor

2010-01-01

In this paper, we discuss a numerical multiscale approach for solving wave equations with heterogeneous coefficients. Our interest comes from geophysics applications and we assume that there is no scale separation with respect to spatial variables. To obtain the solution of these multiscale problems on a coarse grid, we compute global fields such that the solution smoothly depends on these fields. We present a Galerkin multiscale finite element method using the global information and provide a convergence analysis when applied to solve the wave equations. We investigate the relation between the smoothness of the global fields and convergence rates of the global Galerkin multiscale finite element method for the wave equations. Numerical examples demonstrate that the use of global information renders better accuracy for wave equations with heterogeneous coefficients than the local multiscale finite element method. © 2010 IMACS.

Analysis of global multiscale finite element methods for wave equations with continuum spatial scales

KAUST Repository

Jiang, Lijian

2010-08-01

In this paper, we discuss a numerical multiscale approach for solving wave equations with heterogeneous coefficients. Our interest comes from geophysics applications and we assume that there is no scale separation with respect to spatial variables. To obtain the solution of these multiscale problems on a coarse grid, we compute global fields such that the solution smoothly depends on these fields. We present a Galerkin multiscale finite element method using the global information and provide a convergence analysis when applied to solve the wave equations. We investigate the relation between the smoothness of the global fields and convergence rates of the global Galerkin multiscale finite element method for the wave equations. Numerical examples demonstrate that the use of global information renders better accuracy for wave equations with heterogeneous coefficients than the local multiscale finite element method. © 2010 IMACS.

Three-dimensional Crustal Structure beneath the Tibetan Plateau Revealed by Multi-scale Gravity Analysis

Science.gov (United States)

Xu, C.; Luo, Z.; Sun, R.; Li, Q.

2017-12-01

The Tibetan Plateau, the largest and highest plateau on Earth, was uplifted, shorten and thicken by the collision and continuous convergence of the Indian and Eurasian plates since 50 million years ago, the Eocene epoch. Fine three-dimensional crustal structure of the Tibetan Plateau is helpful in understanding the tectonic development. At present, the ordinary method used for revealing crustal structure is seismic method, which is inhibited by poor seismic station coverage, especially in the central and western plateau primarily due to the rugged terrain. Fortunately, with the implementation of satellite gravity missions, gravity field models have demonstrated unprecedented global-scale accuracy and spatial resolution, which can subsequently be employed to study the crustal structure of the entire Tibetan Plateau. This study inverts three-dimensional crustal density and Moho topography of the Tibetan Plateau from gravity data using multi-scale gravity analysis. The inverted results are in agreement with those provided by the previous works. Besides, they can reveal rich tectonic development of the Tibetan Plateau: (1) The low-density channel flow can be observed from the inverted crustal density; (2) The Moho depth in the west is deeper than that in the east, and the deepest Moho, which is approximately 77 km, is located beneath the western Qiangtang Block; (3) The Moho fold, the directions of which are in agreement with the results of surface movement velocities estimated from Global Positioning System, exists clearly on the Moho topography.This study is supported by the National Natural Science Foundation of China (Grant No. 41504015), the China Postdoctoral Science Foundation (Grant No. 2015M572146), and the Surveying and Mapping Basic Research Programme of the National Administration of Surveying, Mapping and Geoinformation (Grant No. 15-01-08).

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)

Mixed multiscale finite element methods using approximate global information based on partial upscaling

KAUST Repository

Jiang, Lijian; Efendiev, Yalchin; Mishev, IIya

2009-01-01

The use of limited global information in multiscale simulations is needed when there is no scale separation. Previous approaches entail fine-scale simulations in the computation of the global information. The computation of the global information

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...

Multi-dimensional two-fluid flow computation. An overview

International Nuclear Information System (INIS)

Carver, M.B.

1992-01-01

This paper discusses a repertoire of three-dimensional computer programs developed to perform critical analysis of single-phase, two-phase and multi-fluid flow in reactor components. The basic numerical approach to solving the governing equations common to all the codes is presented and the additional constitutive relationships required for closure are discussed. Particular applications are presented for a number of computer codes. (author). 12 refs

A Multi-scale Computational Platform to Mechanistically Assess the Effect of Genetic Variation on Drug Responses in Human Erythrocyte Metabolism.

Science.gov (United States)

Mih, Nathan; Brunk, Elizabeth; Bordbar, Aarash; Palsson, Bernhard O

2016-07-01

Progress in systems medicine brings promise to addressing patient heterogeneity and individualized therapies. Recently, genome-scale models of metabolism have been shown to provide insight into the mechanistic link between drug therapies and systems-level off-target effects while being expanded to explicitly include the three-dimensional structure of proteins. The integration of these molecular-level details, such as the physical, structural, and dynamical properties of proteins, notably expands the computational description of biochemical network-level properties and the possibility of understanding and predicting whole cell phenotypes. In this study, we present a multi-scale modeling framework that describes biological processes which range in scale from atomistic details to an entire metabolic network. Using this approach, we can understand how genetic variation, which impacts the structure and reactivity of a protein, influences both native and drug-induced metabolic states. As a proof-of-concept, we study three enzymes (catechol-O-methyltransferase, glucose-6-phosphate dehydrogenase, and glyceraldehyde-3-phosphate dehydrogenase) and their respective genetic variants which have clinically relevant associations. Using all-atom molecular dynamic simulations enables the sampling of long timescale conformational dynamics of the proteins (and their mutant variants) in complex with their respective native metabolites or drug molecules. We find that changes in a protein's structure due to a mutation influences protein binding affinity to metabolites and/or drug molecules, and inflicts large-scale changes in metabolism.

Statistical CT noise reduction with multiscale decomposition and penalized weighted least squares in the projection domain

International Nuclear Information System (INIS)

Tang Shaojie; Tang Xiangyang

2012-01-01

Purposes: The suppression of noise in x-ray computed tomography (CT) imaging is of clinical relevance for diagnostic image quality and the potential for radiation dose saving. Toward this purpose, statistical noise reduction methods in either the image or projection domain have been proposed, which employ a multiscale decomposition to enhance the performance of noise suppression while maintaining image sharpness. Recognizing the advantages of noise suppression in the projection domain, the authors propose a projection domain multiscale penalized weighted least squares (PWLS) method, in which the angular sampling rate is explicitly taken into consideration to account for the possible variation of interview sampling rate in advanced clinical or preclinical applications. Methods: The projection domain multiscale PWLS method is derived by converting an isotropic diffusion partial differential equation in the image domain into the projection domain, wherein a multiscale decomposition is carried out. With adoption of the Markov random field or soft thresholding objective function, the projection domain multiscale PWLS method deals with noise at each scale. To compensate for the degradation in image sharpness caused by the projection domain multiscale PWLS method, an edge enhancement is carried out following the noise reduction. The performance of the proposed method is experimentally evaluated and verified using the projection data simulated by computer and acquired by a CT scanner. Results: The preliminary results show that the proposed projection domain multiscale PWLS method outperforms the projection domain single-scale PWLS method and the image domain multiscale anisotropic diffusion method in noise reduction. In addition, the proposed method can preserve image sharpness very well while the occurrence of “salt-and-pepper” noise and mosaic artifacts can be avoided. Conclusions: Since the interview sampling rate is taken into account in the projection domain

Generalized multiscale finite element method. Symmetric interior penalty coupling

KAUST Repository

Efendiev, Yalchin R.; Galvis, Juan; Lazarov, Raytcho D.; Moon, M.; Sarkis, Marcus V.

2013-01-01

Motivated by applications to numerical simulations of flows in highly heterogeneous porous media, we develop multiscale finite element methods for second order elliptic equations. We discuss a multiscale model reduction technique in the framework of the discontinuous Galerkin finite element method. We propose two different finite element spaces on the coarse mesh. The first space is based on a local eigenvalue problem that uses an interior weighted L2-norm and a boundary weighted L2-norm for computing the "mass" matrix. The second choice is based on generation of a snapshot space and subsequent selection of a subspace of a reduced dimension. The approximation with these multiscale spaces is based on the discontinuous Galerkin finite element method framework. We investigate the stability and derive error estimates for the methods and further experimentally study their performance on a representative number of numerical examples. © 2013 Elsevier Inc.

Generalized multiscale finite element method. Symmetric interior penalty coupling

KAUST Repository

Efendiev, Yalchin R.

2013-12-01

Motivated by applications to numerical simulations of flows in highly heterogeneous porous media, we develop multiscale finite element methods for second order elliptic equations. We discuss a multiscale model reduction technique in the framework of the discontinuous Galerkin finite element method. We propose two different finite element spaces on the coarse mesh. The first space is based on a local eigenvalue problem that uses an interior weighted L2-norm and a boundary weighted L2-norm for computing the "mass" matrix. The second choice is based on generation of a snapshot space and subsequent selection of a subspace of a reduced dimension. The approximation with these multiscale spaces is based on the discontinuous Galerkin finite element method framework. We investigate the stability and derive error estimates for the methods and further experimentally study their performance on a representative number of numerical examples. © 2013 Elsevier Inc.

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.

Development of a 3-dimensional seismic isolation floor for computer systems

International Nuclear Information System (INIS)

Kurihara, M.; Shigeta, M.; Nino, T.; Matsuki, T.

1991-01-01

In this paper, we investigated the applicability of a seismic isolation floor as a method for protecting computer systems from strong earthquakes, such as computer systems in nuclear power plants. Assuming that the computer system is guaranteed for 250 cm/s 2 of input acceleration in the horizontal and vertical directions as the seismic performance, the basic design specification of the seismic isolation floor is considered as follows. Against S 1 level earthquakes, the maximum acceleration response of the seismic isolation floor in the horizontal and vertical directions is kept less than 250 cm/s 2 to maintain continuous computer operation. Against S 2 level earthquakes, the isolation floor allows large horizontal movement and large displacement of the isolation devices to reduce the acceleration response, although it is not guaranteed to be less than 250 cm/s 2 . By reducing the acceleration response, however, serious damage to the computer systems is reduced, so that they can be restarted after an earthquake. Usually, seismic isolation floor systems permit 2-dimensional (horizontal) isolation. However, in the case of just-under-seated earthquakes, which have large vertical components, the vertical acceleration response of this system is amplified by the lateral vibration of the frame of the isolation floor. Therefore, in this study a 3-dimensional seismic isolation floor, including vertical isolation, was developed. This paper describes 1) the experimental results of the response characteristics of the 3-dimensional seismic isolation floor built as a trial using a 3-dimensional shaking table, and 2) comparison of a 2-dimensional analytical model, for motion in one horizontal direction and the vertical direction, to experimental results. (J.P.N.)

Three-Dimensional Computer-Assisted Two-Layer Elastic Models of the Face.

Science.gov (United States)

Ueda, Koichi; Shigemura, Yuka; Otsuki, Yuki; Fuse, Asuka; Mitsuno, Daisuke

2017-11-01

To make three-dimensional computer-assisted elastic models for the face, we decided on five requirements: (1) an elastic texture like skin and subcutaneous tissue; (2) the ability to take pen marking for incisions; (3) the ability to be cut with a surgical knife; (4) the ability to keep stitches in place for a long time; and (5) a layered structure. After testing many elastic solvents, we have made realistic three-dimensional computer-assisted two-layer elastic models of the face and cleft lip from the computed tomographic and magnetic resonance imaging stereolithographic data. The surface layer is made of polyurethane and the inner layer is silicone. Using this elastic model, we taught residents and young doctors how to make several typical local flaps and to perform cheiloplasty. They could experience realistic simulated surgery and understand three-dimensional movement of the flaps.

Computer Aided Multi-scale Design of SiC-Si3N4 Nanoceramic Composites for High-Temperature Structural Applications

Energy Technology Data Exchange (ETDEWEB)

Vikas Tomer; John Renaud

2010-08-31

temperature dependent strength and microstructural stability was also significantly depended upon the dispersion of new phases at grain boundaries. The material design framework incorporates high temperature creep and mechanical strength data in order to develop a collaborative multiscale framework of morphology optimization. The work also incorporates a computer aided material design dataset development procedure where a systematic dataset on material properties and morphology correlation could be obtained depending upon a material processing scientist's requirements. Two different aspects covered under this requirement are: (1) performing morphology related analyses at the nanoscale and at the microscale to develop a multiscale material design and analyses capability; (2) linking material behavior analyses with the developed design tool to form a set of material design problems that illustrate the range of material design dataset development that could be performed. Overall, a software based methodology to design microstructure of particle based ceramic nanocomposites has been developed. This methodology has been shown to predict changes in phase morphologies required for achieving optimal balance of conflicting properties such as minimal creep strain rate and high fracture strength at high temperatures. The methodology incorporates complex material models including atomistic approaches. The methodology will be useful to design materials for high temperature applications including those of interest to DoE while significantly reducing cost of expensive experiments.

Multiscale singular value manifold for rotating machinery fault diagnosis

Energy Technology Data Exchange (ETDEWEB)

Feng, Yi; Lu, BaoChun; Zhang, Deng Feng [School of Mechanical Engineering, Nanjing University of Science and Technology,Nanjing (United States)

2017-01-15

Time-frequency distribution of vibration signal can be considered as an image that contains more information than signal in time domain. Manifold learning is a novel theory for image recognition that can be also applied to rotating machinery fault pattern recognition based on time-frequency distributions. However, the vibration signal of rotating machinery in fault condition contains cyclical transient impulses with different phrases which are detrimental to image recognition for time-frequency distribution. To eliminate the effects of phase differences and extract the inherent features of time-frequency distributions, a multiscale singular value manifold method is proposed. The obtained low-dimensional multiscale singular value manifold features can reveal the differences of different fault patterns and they are applicable to classification and diagnosis. Experimental verification proves that the performance of the proposed method is superior in rotating machinery fault diagnosis.

Multiscale Methods, Parallel Computation, and Neural Networks for Real-Time Computer Vision.

Science.gov (United States)

Battiti, Roberto

1990-01-01

This thesis presents new algorithms for low and intermediate level computer vision. The guiding ideas in the presented approach are those of hierarchical and adaptive processing, concurrent computation, and supervised learning. Processing of the visual data at different resolutions is used not only to reduce the amount of computation necessary to reach the fixed point, but also to produce a more accurate estimation of the desired parameters. The presented adaptive multiple scale technique is applied to the problem of motion field estimation. Different parts of the image are analyzed at a resolution that is chosen in order to minimize the error in the coefficients of the differential equations to be solved. Tests with video-acquired images show that velocity estimation is more accurate over a wide range of motion with respect to the homogeneous scheme. In some cases introduction of explicit discontinuities coupled to the continuous variables can be used to avoid propagation of visual information from areas corresponding to objects with different physical and/or kinematic properties. The human visual system uses concurrent computation in order to process the vast amount of visual data in "real -time." Although with different technological constraints, parallel computation can be used efficiently for computer vision. All the presented algorithms have been implemented on medium grain distributed memory multicomputers with a speed-up approximately proportional to the number of processors used. A simple two-dimensional domain decomposition assigns regions of the multiresolution pyramid to the different processors. The inter-processor communication needed during the solution process is proportional to the linear dimension of the assigned domain, so that efficiency is close to 100% if a large region is assigned to each processor. Finally, learning algorithms are shown to be a viable technique to engineer computer vision systems for different applications starting from

An eye model for computational dosimetry using a multi-scale voxel phantom

International Nuclear Information System (INIS)

Caracappa, P.F.; Rhodes, A.; Fiedler, D.

2013-01-01

The lens of the eye is a radiosensitive tissue with cataract formation being the major concern. Recently reduced recommended dose limits to the lens of the eye have made understanding the dose to this tissue of increased importance. Due to memory limitations, the voxel resolution of computational phantoms used for radiation dose calculations is too large to accurately represent the dimensions of the eye. A revised eye model is constructed using physiological data for the dimensions of radiosensitive tissues, and is then transformed into a high-resolution voxel model. This eye model is combined with an existing set of whole body models to form a multi-scale voxel phantom, which is used with the MCNPX code to calculate radiation dose from various exposure types. This phantom provides an accurate representation of the radiation transport through the structures of the eye. Two alternate methods of including a high-resolution eye model within an existing whole body model are developed. When the Lattice Overlay method, the simpler of the two to define, is utilized, the computational penalty in terms of speed is noticeable and the figure of merit for the eye dose tally decreases by as much as a factor of two. When the Voxel Substitution method is applied, the penalty in speed is nearly trivial and the impact on the tally figure of merit is comparatively smaller. The origin of this difference in the code behavior may warrant further investigation

Multiscale entropy analysis of resting-state magnetoencephalogram with tensor factorisations in Alzheimer's disease

DEFF Research Database (Denmark)

Escudero, Javier; Evrim, Acar Ataman; Fernández, Alberto

2015-01-01

dynamics. We consider the "refined composite multiscale entropy" (rcMSE), which computes entropy "profiles" showing levels of physiological complexity over temporal scales for individual signals. We compute the rcMSE of resting-state magnetoencephalogram (MEG) recordings from 36 patients with Alzheimer...

Lower bound multiscale element for in situ cast joints in triaxial stress

DEFF Research Database (Denmark)

Herfelt, Morten Andersen; Poulsen, Peter Noe; Hoang, Linh Cao

2018-01-01

of design are therefore needed, and a framework based on finite element limit analysis is being developed. In this paper, a one-dimensional multiscale joint element is presented, and a mechanical model is proposed as the yield function of the macro element. The scope of the model is to capture the behaviour...

Multiscale equation-free algorithms for molecular dynamics

Science.gov (United States)

Abi Mansour, Andrew

Molecular dynamics is a physics-based computational tool that has been widely employed to study the dynamics and structure of macromolecules and their assemblies at the atomic scale. However, the efficiency of molecular dynamics simulation is limited because of the broad spectrum of timescales involved. To overcome this limitation, an equation-free algorithm is presented for simulating these systems using a multiscale model cast in terms of atomistic and coarse-grained variables. Both variables are evolved in time in such a way that the cross-talk between short and long scales is preserved. In this way, the coarse-grained variables guide the evolution of the atom-resolved states, while the latter provide the Newtonian physics for the former. While the atomistic variables are evolved using short molecular dynamics runs, time advancement at the coarse-grained level is achieved with a scheme that uses information from past and future states of the system while accounting for both the stochastic and deterministic features of the coarse-grained dynamics. To complete the multiscale cycle, an atom-resolved state consistent with the updated coarse-grained variables is recovered using algorithms from mathematical optimization. This multiscale paradigm is extended to nanofluidics using concepts from hydrodynamics, and it is demonstrated for macromolecular and nanofluidic systems. A toolkit is developed for prototyping these algorithms, which are then implemented within the GROMACS simulation package and released as an open source multiscale simulator.

Kinetics of intercalation of fluorescent probes in magnesium–aluminium layered double hydroxide within a multiscale reaction–diffusion framework

Science.gov (United States)

Saliba, Daniel

2016-01-01

We report the synthesis of magnesium–aluminium layered double hydroxide (LDH) using a reaction–diffusion framework (RDF) that exploits the multiscale coupling of molecular diffusion with chemical reactions, nucleation and growth of crystals. In an RDF, the hydroxide anions are allowed to diffuse into an organic gel matrix containing the salt mixture needed for the precipitation of the LDH. The chemical structure and composition of the synthesized magnesium–aluminium LDHs are determined using powder X-ray diffraction (PXRD), thermo-gravimetric analysis, differential scanning calorimetry, solid-state nuclear magnetic resonance (SSNMR), Fourier transform infrared and energy dispersive X-ray spectroscopy. This novel technique also allows the investigation of the mechanism of intercalation of some fluorescent probes, such as the neutral three-dimensional rhodamine B (RhB) and the negatively charged two-dimensional 8-hydroxypyrene-1,3,6-trisulfonic acid (HPTS), using in situ steady-state fluorescence spectroscopy. The incorporation of these organic dyes inside the interlayer region of the LDH is confirmed via fluorescence microscopy, solid-state lifetime, SSNMR and PXRD. The activation energies of intercalation of the corresponding molecules (RhB and HPTS) are computed and exhibit dependence on the geometry of the involved probe (two or three dimensions), the charge of the fluorescent molecule (anionic, cationic or neutral) and the cationic ratio of the corresponding LDH. This article is part of the themed issue ‘Multiscale modelling at the physics–chemistry–biology interface’. PMID:27698034

Kinetics of intercalation of fluorescent probes in magnesium-aluminium layered double hydroxide within a multiscale reaction-diffusion framework

Science.gov (United States)

Saliba, Daniel; Al-Ghoul, Mazen

2016-11-01

We report the synthesis of magnesium-aluminium layered double hydroxide (LDH) using a reaction-diffusion framework (RDF) that exploits the multiscale coupling of molecular diffusion with chemical reactions, nucleation and growth of crystals. In an RDF, the hydroxide anions are allowed to diffuse into an organic gel matrix containing the salt mixture needed for the precipitation of the LDH. The chemical structure and composition of the synthesized magnesium-aluminium LDHs are determined using powder X-ray diffraction (PXRD), thermo-gravimetric analysis, differential scanning calorimetry, solid-state nuclear magnetic resonance (SSNMR), Fourier transform infrared and energy dispersive X-ray spectroscopy. This novel technique also allows the investigation of the mechanism of intercalation of some fluorescent probes, such as the neutral three-dimensional rhodamine B (RhB) and the negatively charged two-dimensional 8-hydroxypyrene-1,3,6-trisulfonic acid (HPTS), using in situ steady-state fluorescence spectroscopy. The incorporation of these organic dyes inside the interlayer region of the LDH is confirmed via fluorescence microscopy, solid-state lifetime, SSNMR and PXRD. The activation energies of intercalation of the corresponding molecules (RhB and HPTS) are computed and exhibit dependence on the geometry of the involved probe (two or three dimensions), the charge of the fluorescent molecule (anionic, cationic or neutral) and the cationic ratio of the corresponding LDH. This article is part of the themed issue 'Multiscale modelling at the physics-chemistry-biology interface'.

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.

A Multiscale Enrichment Procedure for Nonlinear Monotone Operators

KAUST Repository

Efendiev, Yalchin R.

2014-03-11

In this paper, multiscale finite element methods (MsFEMs) and domain decomposition techniques are developed for a class of nonlinear elliptic problems with high-contrast coefficients. In the process, existing work on linear problems [Y. Efendiev, J. Galvis, R. Lazarov, S. Margenov and J. Ren, Robust two-level domain decomposition preconditioners for high-contrast anisotropic flows in multiscale media. Submitted.; Y. Efendiev, J. Galvis and X. Wu, J. Comput. Phys. 230 (2011) 937–955; J. Galvis and Y. Efendiev, SIAM Multiscale Model. Simul. 8 (2010) 1461–1483.] is extended to treat a class of nonlinear elliptic operators. The proposed method requires the solutions of (small dimension and local) nonlinear eigenvalue problems in order to systematically enrich the coarse solution space. Convergence of the method is shown to relate to the dimension of the coarse space (due to the enrichment procedure) as well as the coarse mesh size. In addition, it is shown that the coarse mesh spaces can be effectively used in two-level domain decomposition preconditioners. A number of numerical results are presented to complement the analysis.

A constrained approach to multiscale stochastic simulation of chemically reacting systems

KAUST Repository

Cotter, Simon L.; Zygalakis, Konstantinos C.; Kevrekidis, Ioannis G.; Erban, Radek

2011-01-01

Stochastic simulation of coupled chemical reactions is often computationally intensive, especially if a chemical system contains reactions occurring on different time scales. In this paper, we introduce a multiscale methodology suitable to address

Multi-scale Material Parameter Identification Using LS-DYNA® and LS-OPT®

Energy Technology Data Exchange (ETDEWEB)

Stander, Nielen; Basudhar, Anirban; Basu, Ushnish; Gandikota, Imtiaz; Savic, Vesna; Sun, Xin; Choi, Kyoo Sil; Hu, Xiaohua; Pourboghrat, F.; Park, Taejoon; Mapar, Aboozar; Kumar, Shavan; Ghassemi-Armaki, Hassan; Abu-Farha, Fadi

2015-09-14

Ever-tightening regulations on fuel economy, and the likely future regulation of carbon emissions, demand persistent innovation in vehicle design to reduce vehicle mass. Classical methods for computational mass reduction include sizing, shape and topology optimization. One of the few remaining options for weight reduction can be found in materials engineering and material design optimization. Apart from considering different types of materials, by adding material diversity and composite materials, an appealing option in automotive design is to engineer steel alloys for the purpose of reducing plate thickness while retaining sufficient strength and ductility required for durability and safety. A project to develop computational material models for advanced high strength steel is currently being executed under the auspices of the United States Automotive Materials Partnership (USAMP) funded by the US Department of Energy. Under this program, new Third Generation Advanced High Strength Steel (i.e., 3GAHSS) are being designed, tested and integrated with the remaining design variables of a benchmark vehicle Finite Element model. The objectives of the project are to integrate atomistic, microstructural, forming and performance models to create an integrated computational materials engineering (ICME) toolkit for 3GAHSS. The mechanical properties of Advanced High Strength Steels (AHSS) are controlled by many factors, including phase composition and distribution in the overall microstructure, volume fraction, size and morphology of phase constituents as well as stability of the metastable retained austenite phase. The complex phase transformation and deformation mechanisms in these steels make the well-established traditional techniques obsolete, and a multi-scale microstructure-based modeling approach following the ICME [0]strategy was therefore chosen in this project. Multi-scale modeling as a major area of research and development is an outgrowth of the Comprehensive

Multi-scale graph-cut algorithm for efficient water-fat separation.

Science.gov (United States)

Berglund, Johan; Skorpil, Mikael

2017-09-01

To improve the accuracy and robustness to noise in water-fat separation by unifying the multiscale and graph cut based approaches to B 0 -correction. A previously proposed water-fat separation algorithm that corrects for B 0 field inhomogeneity in 3D by a single quadratic pseudo-Boolean optimization (QPBO) graph cut was incorporated into a multi-scale framework, where field map solutions are propagated from coarse to fine scales for voxels that are not resolved by the graph cut. The accuracy of the single-scale and multi-scale QPBO algorithms was evaluated against benchmark reference datasets. The robustness to noise was evaluated by adding noise to the input data prior to water-fat separation. Both algorithms achieved the highest accuracy when compared with seven previously published methods, while computation times were acceptable for implementation in clinical routine. The multi-scale algorithm was more robust to noise than the single-scale algorithm, while causing only a small increase (+10%) of the reconstruction time. The proposed 3D multi-scale QPBO algorithm offers accurate water-fat separation, robustness to noise, and fast reconstruction. The software implementation is freely available to the research community. Magn Reson Med 78:941-949, 2017. © 2016 International Society for Magnetic Resonance in Medicine. © 2016 International Society for Magnetic Resonance in Medicine.

A three-dimensional computer graphic imaging for neurosurgery

International Nuclear Information System (INIS)

Uchino, Masafumi; Onagi, Atsuo; Seiki, Yoshikatsu

1987-01-01

Information offered by conventional diagnostic tools for medical use, including X-ray films, CT, MRI, RI images and PET, are usually two-dimensional. However, the human body and pathological lesions are really extended in 3 dimensions. Interpreters have to reconstruct an imaginative, 3-dimensional configuration of lesions from 2-dimensional information on many films, according to their knowledge and experience. All this sometimes wastes a lot of time and gives rise to inconclusive discussion among interpreters. The advent and rapid progress of new computer graphic techniques, however, makes it possible to draw an apparent 3-dimensional image of a lesion on the basis of a 2-dimensional display; this is named a pseudo-3-dimensional image. After the region of interest of the CT-sliced image has been extracted by means of a semi-automatic contour extraction algorithm, multi-slice CT images are constructed by the voxel method. A 3-dimensional image is then generated by the use of the Z-buffer. Subsequently, transparent, semi-transparent, and color display are provided. This new method of display was used for CT-scan films of various intracerebral pathological lesions, including tumors, hematomas, and congenital anomalies: The benefits, prospects, and technical limits of this imaging technique for clinical use were discussed. (author)

Variability of four-dimensional computed tomography patient models

NARCIS (Netherlands)

Sonke, Jan-Jakob; Lebesque, Joos; van Herk, Marcel

2008-01-01

PURPOSE: To quantify the interfractional variability in lung tumor trajectory and mean position during the course of radiation therapy. METHODS AND MATERIALS: Repeat four-dimensional (4D) cone-beam computed tomography (CBCT) scans (median, nine scans/patient) routinely acquired during the course of

Computational approach on PEB process in EUV resist: multi-scale simulation

Science.gov (United States)

Kim, Muyoung; Moon, Junghwan; Choi, Joonmyung; Lee, Byunghoon; Jeong, Changyoung; Kim, Heebom; Cho, Maenghyo

2017-03-01

For decades, downsizing has been a key issue for high performance and low cost of semiconductor, and extreme ultraviolet lithography is one of the promising candidates to achieve the goal. As a predominant process in extreme ultraviolet lithography on determining resolution and sensitivity, post exposure bake has been mainly studied by experimental groups, but development of its photoresist is at the breaking point because of the lack of unveiled mechanism during the process. Herein, we provide theoretical approach to investigate underlying mechanism on the post exposure bake process in chemically amplified resist, and it covers three important reactions during the process: acid generation by photo-acid generator dissociation, acid diffusion, and deprotection. Density functional theory calculation (quantum mechanical simulation) was conducted to quantitatively predict activation energy and probability of the chemical reactions, and they were applied to molecular dynamics simulation for constructing reliable computational model. Then, overall chemical reactions were simulated in the molecular dynamics unit cell, and final configuration of the photoresist was used to predict the line edge roughness. The presented multiscale model unifies the phenomena of both quantum and atomic scales during the post exposure bake process, and it will be helpful to understand critical factors affecting the performance of the resulting photoresist and design the next-generation material.

Attenuation Correction Strategies for Positron Emission Tomography/Computed Tomography and 4-Dimensional Positron Emission Tomography/Computed Tomography

OpenAIRE

Pan, Tinsu; Zaidi, Habib

2013-01-01

This article discusses attenuation correction strategies in positron emission tomography/computed tomography (PET/CT) and 4 dimensional PET/CT imaging. Average CT scan derived from averaging the high temporal resolution CT images is effective in improving the registration of the CT and the PET images and quantification of the PET data. It underscores list mode data acquisition in 4 dimensional PET and introduces 4 dimensional CT popular in thoracic treatment planning to 4 dimensional PET/CT. ...

An Online Generalized Multiscale Discontinuous Galerkin Method (GMsDGM) for Flows in Heterogeneous Media

KAUST Repository

Chung, Eric T.

2017-02-07

Offline computation is an essential component in most multiscale model reduction techniques. However, there are multiscale problems in which offline procedure is insufficient to give accurate representations of solutions, due to the fact that offline computations are typically performed locally and global information is missing in these offline information. To tackle this difficulty, we develop an online local adaptivity technique for local multiscale model reduction problems. We design new online basis functions within Discontinuous Galerkin method based on local residuals and some optimally estimates. The resulting basis functions are able to capture the solution efficiently and accurately, and are added to the approximation iteratively. Moreover, we show that the iterative procedure is convergent with a rate independent of physical scales if the initial space is chosen carefully. Our analysis also gives a guideline on how to choose the initial space. We present some numerical examples to show the performance of the proposed method.

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

Comparison of two three-dimensional cephalometric analysis computer software

OpenAIRE

Sawchuk, Dena; Alhadlaq, Adel; Alkhadra, Thamer; Carlyle, Terry D; Kusnoto, Budi; El-Bialy, Tarek

2014-01-01

Background: Three-dimensional cephalometric analyses are getting more attraction in orthodontics. The aim of this study was to compare two softwares to evaluate three-dimensional cephalometric analyses of orthodontic treatment outcomes. Materials and Methods: Twenty cone beam computed tomography images were obtained using i-CAT® imaging system from patient's records as part of their regular orthodontic records. The images were analyzed using InVivoDental5.0 (Anatomage Inc.) and 3DCeph™ (Unive...

A multiscale coupled finite-element and phase-field framework to modeling stressed grain growth in polycrystalline thin films

Energy Technology Data Exchange (ETDEWEB)

Jamshidian, M., E-mail: jamshidian@cc.iut.ac.ir [Department of Mechanical Engineering, Isfahan University of Technology, Isfahan 84156-83111 (Iran, Islamic Republic of); Institute of Structural Mechanics, Bauhaus-University Weimar, Marienstrasse 15, 99423 Weimar (Germany); Thamburaja, P., E-mail: prakash.thamburaja@gmail.com [Department of Mechanical & Materials Engineering, Universiti Kebangsaan Malaysia (UKM), Bangi 43600 (Malaysia); Rabczuk, T., E-mail: timon.rabczuk@tdt.edu.vn [Division of Computational Mechanics, Ton Duc Thang University, Ho Chi Minh City (Viet Nam); Faculty of Civil Engineering, Ton Duc Thang University, Ho Chi Minh City (Viet Nam)

2016-12-15

A previously-developed finite-deformation- and crystal-elasticity-based constitutive theory for stressed grain growth in cubic polycrystalline bodies has been augmented to include a description of excess surface energy and grain-growth stagnation mechanisms through the use of surface effect state variables in a thermodynamically-consistent manner. The constitutive theory was also implemented into a multiscale coupled finite-element and phase-field computational framework. With the material parameters in the constitutive theory suitably calibrated, our three-dimensional numerical simulations show that the constitutive model is able to accurately predict the experimentally-determined evolution of crystallographic texture and grain size statistics in polycrystalline copper thin films deposited on polyimide substrate and annealed at high-homologous temperatures. In particular, our numerical analyses show that the broad texture transition observed in the annealing experiments of polycrystalline thin films is caused by grain growth stagnation mechanisms. - Graphical abstract: - Highlights: • Developing a theory for stressed grain growth in polycrystalline thin films. • Implementation into a multiscale coupled finite-element and phase-field framework. • Quantitative reproduction of the experimental grain growth data by simulations. • Revealing the cause of texture transition to be due to the stagnation mechanisms.

Multiscale Mechanics of Articular Cartilage: Potentials and Challenges of Coupling Musculoskeletal, Joint, and Microscale Computational Models

Science.gov (United States)

Halloran, J. P.; Sibole, S.; van Donkelaar, C. C.; van Turnhout, M. C.; Oomens, C. W. J.; Weiss, J. A.; Guilak, F.; Erdemir, A.

2012-01-01

Articular cartilage experiences significant mechanical loads during daily activities. Healthy cartilage provides the capacity for load bearing and regulates the mechanobiological processes for tissue development, maintenance, and repair. Experimental studies at multiple scales have provided a fundamental understanding of macroscopic mechanical function, evaluation of the micromechanical environment of chondrocytes, and the foundations for mechanobiological response. In addition, computational models of cartilage have offered a concise description of experimental data at many spatial levels under healthy and diseased conditions, and have served to generate hypotheses for the mechanical and biological function. Further, modeling and simulation provides a platform for predictive risk assessment, management of dysfunction, as well as a means to relate multiple spatial scales. Simulation-based investigation of cartilage comes with many challenges including both the computational burden and often insufficient availability of data for model development and validation. This review outlines recent modeling and simulation approaches to understand cartilage function from a mechanical systems perspective, and illustrates pathways to associate mechanics with biological function. Computational representations at single scales are provided from the body down to the microstructure, along with attempts to explore multiscale mechanisms of load sharing that dictate the mechanical environment of the cartilage and chondrocytes. PMID:22648577

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.

Two-dimensional color-code quantum computation

International Nuclear Information System (INIS)

Fowler, Austin G.

2011-01-01

We describe in detail how to perform universal fault-tolerant quantum computation on a two-dimensional color code, making use of only nearest neighbor interactions. Three defects (holes) in the code are used to represent logical qubits. Triple-defect logical qubits are deformed into isolated triangular sections of color code to enable transversal implementation of all single logical qubit Clifford group gates. Controlled-NOT (CNOT) is implemented between pairs of triple-defect logical qubits via braiding.

Computation of spatial significance of mountain objects extracted from multiscale digital elevation models

International Nuclear Information System (INIS)

Sathyamoorthy, Dinesh

2014-01-01

The derivation of spatial significance is an important aspect of geospatial analysis and hence, various methods have been proposed to compute the spatial significance of entities based on spatial distances with other entities within the cluster. This paper is aimed at studying the spatial significance of mountain objects extracted from multiscale digital elevation models (DEMs). At each scale, the value of spatial significance index SSI of a mountain object is the minimum number of morphological dilation iterations required to occupy all the other mountain objects in the terrain. The mountain object with the lowest value of SSI is the spatially most significant mountain object, indicating that it has the shortest distance to the other mountain objects. It is observed that as the area of the mountain objects reduce with increasing scale, the distances between the mountain objects increase, resulting in increasing values of SSI. The results obtained indicate that the strategic location of a mountain object at the centre of the terrain is more important than its size in determining its reach to other mountain objects and thus, its spatial significance

A computer simulation platform for the estimation of measurement uncertainties in dimensional X-ray computed tomography

DEFF Research Database (Denmark)

Hiller, Jochen; Reindl, Leonard M

2012-01-01

into account the main error sources for the measurement. This method has the potential to deal with all kinds of systematic and random errors that influence a dimensional CT measurement. A case study demonstrates the practical application of the VCT simulator using numerically generated CT data and statistical......The knowledge of measurement uncertainty is of great importance in conformance testing in production. The tolerance limit for production must be reduced by the amounts of measurement uncertainty to ensure that the parts are in fact within the tolerance. Over the last 5 years, industrial X......-ray computed tomography (CT) has become an important technology for dimensional quality control. In this paper a computer simulation platform is presented which is able to investigate error sources in dimensional CT measurements. The typical workflow in industrial CT metrology is described and methods...

msBP: An R Package to Perform Bayesian Nonparametric Inference Using Multiscale Bernstein Polynomials Mixtures

Directory of Open Access Journals (Sweden)

Antonio Canale

2017-06-01

Full Text Available msBP is an R package that implements a new method to perform Bayesian multiscale nonparametric inference introduced by Canale and Dunson (2016. The method, based on mixtures of multiscale beta dictionary densities, overcomes the drawbacks of Pólya trees and inherits many of the advantages of Dirichlet process mixture models. The key idea is that an infinitely-deep binary tree is introduced, with a beta dictionary density assigned to each node of the tree. Using a multiscale stick-breaking characterization, stochastically decreasing weights are assigned to each node. The result is an infinite mixture model. The package msBP implements a series of basic functions to deal with this family of priors such as random densities and numbers generation, creation and manipulation of binary tree objects, and generic functions to plot and print the results. In addition, it implements the Gibbs samplers for posterior computation to perform multiscale density estimation and multiscale testing of group differences described in Canale and Dunson (2016.

A Multi-scale Computational Platform to Mechanistically Assess the Effect of Genetic Variation on Drug Responses in Human Erythrocyte Metabolism.

Directory of Open Access Journals (Sweden)

Nathan Mih

2016-07-01

Full Text Available Progress in systems medicine brings promise to addressing patient heterogeneity and individualized therapies. Recently, genome-scale models of metabolism have been shown to provide insight into the mechanistic link between drug therapies and systems-level off-target effects while being expanded to explicitly include the three-dimensional structure of proteins. The integration of these molecular-level details, such as the physical, structural, and dynamical properties of proteins, notably expands the computational description of biochemical network-level properties and the possibility of understanding and predicting whole cell phenotypes. In this study, we present a multi-scale modeling framework that describes biological processes which range in scale from atomistic details to an entire metabolic network. Using this approach, we can understand how genetic variation, which impacts the structure and reactivity of a protein, influences both native and drug-induced metabolic states. As a proof-of-concept, we study three enzymes (catechol-O-methyltransferase, glucose-6-phosphate dehydrogenase, and glyceraldehyde-3-phosphate dehydrogenase and their respective genetic variants which have clinically relevant associations. Using all-atom molecular dynamic simulations enables the sampling of long timescale conformational dynamics of the proteins (and their mutant variants in complex with their respective native metabolites or drug molecules. We find that changes in a protein's structure due to a mutation influences protein binding affinity to metabolites and/or drug molecules, and inflicts large-scale changes in metabolism.

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

Three dimensional computations of the flow around a LM19 rotor

Energy Technology Data Exchange (ETDEWEB)

Hambraeus, T. [FFA, Bromma (Sweden)

1997-12-31

To achieve insight in the flow phenomenon occurring in wind power engineering modeling of the flow through the basic governing equations, Navier-Stokes and Euler, can be a great complement to experiments and other computational methods such as the BEM (Blade Element Momentum). Navier-Stokes methods is regularly used in prediction of air-foil flows but then mostly under attached flow conditions. One of the main differences between air-foil computations for aircraft industry and computations for wind turbine applications is that the former is not very interested in separated flow while for the latter case this is part of the operating conditions. It has been noted that separated flow poses problems since the most popular turbulence models such as Baldwin-Lomax and the {kappa}-{epsilon} model seems to over estimate the amount of turbulent viscosity produced and thus suppressing the separation. The work with finding better turbulence models is presently an area with large amount of research offering improved models. However, in the present report only the two mentioned turbulence models have been used. The present report shows computational results obtained with the Navier-Stokes solver EU-RANUS. First the results from a two-dimensional verification cases are shown to verify that the solver produces results comparable with other solvers. The flow computed is attached flow and slightly separated flow over the so called Profile-A. Secondly three dimensional computations of the flow over a full three dimensional rotor at attached and stalled conditions is shown. The computed results are compared with measured power data from field experiments. (EG)

Multi-Scale Pattern Recognition for Image Classification and Segmentation

NARCIS (Netherlands)

Li, Y.

2013-01-01

Scale is an important parameter of images. Different objects or image structures (e.g. edges and corners) can appear at different scales and each is meaningful only over a limited range of scales. Multi-scale analysis has been widely used in image processing and computer vision, serving as the basis

Parallel multiscale simulations of a brain aneurysm

Energy Technology Data Exchange (ETDEWEB)

Grinberg, Leopold [Division of Applied Mathematics, Brown University, Providence, RI 02912 (United States); Fedosov, Dmitry A. [Institute of Complex Systems and Institute for Advanced Simulation, Forschungszentrum Jülich, Jülich 52425 (Germany); Karniadakis, George Em, E-mail: george_karniadakis@brown.edu [Division of Applied Mathematics, Brown University, Providence, RI 02912 (United States)

2013-07-01

Cardiovascular pathologies, such as a brain aneurysm, are affected by the global blood circulation as well as by the local microrheology. Hence, developing computational models for such cases requires the coupling of disparate spatial and temporal scales often governed by diverse mathematical descriptions, e.g., by partial differential equations (continuum) and ordinary differential equations for discrete particles (atomistic). However, interfacing atomistic-based with continuum-based domain discretizations is a challenging problem that requires both mathematical and computational advances. We present here a hybrid methodology that enabled us to perform the first multiscale simulations of platelet depositions on the wall of a brain aneurysm. The large scale flow features in the intracranial network are accurately resolved by using the high-order spectral element Navier–Stokes solver NεκTαr. The blood rheology inside the aneurysm is modeled using a coarse-grained stochastic molecular dynamics approach (the dissipative particle dynamics method) implemented in the parallel code LAMMPS. The continuum and atomistic domains overlap with interface conditions provided by effective forces computed adaptively to ensure continuity of states across the interface boundary. A two-way interaction is allowed with the time-evolving boundary of the (deposited) platelet clusters tracked by an immersed boundary method. The corresponding heterogeneous solvers (NεκTαr and LAMMPS) are linked together by a computational multilevel message passing interface that facilitates modularity and high parallel efficiency. Results of multiscale simulations of clot formation inside the aneurysm in a patient-specific arterial tree are presented. We also discuss the computational challenges involved and present scalability results of our coupled solver on up to 300 K computer processors. Validation of such coupled atomistic-continuum models is a main open issue that has to be addressed in

Parallel multiscale simulations of a brain aneurysm

International Nuclear Information System (INIS)

Grinberg, Leopold; Fedosov, Dmitry A.; Karniadakis, George Em

2013-01-01

Cardiovascular pathologies, such as a brain aneurysm, are affected by the global blood circulation as well as by the local microrheology. Hence, developing computational models for such cases requires the coupling of disparate spatial and temporal scales often governed by diverse mathematical descriptions, e.g., by partial differential equations (continuum) and ordinary differential equations for discrete particles (atomistic). However, interfacing atomistic-based with continuum-based domain discretizations is a challenging problem that requires both mathematical and computational advances. We present here a hybrid methodology that enabled us to perform the first multiscale simulations of platelet depositions on the wall of a brain aneurysm. The large scale flow features in the intracranial network are accurately resolved by using the high-order spectral element Navier–Stokes solver NεκTαr. The blood rheology inside the aneurysm is modeled using a coarse-grained stochastic molecular dynamics approach (the dissipative particle dynamics method) implemented in the parallel code LAMMPS. The continuum and atomistic domains overlap with interface conditions provided by effective forces computed adaptively to ensure continuity of states across the interface boundary. A two-way interaction is allowed with the time-evolving boundary of the (deposited) platelet clusters tracked by an immersed boundary method. The corresponding heterogeneous solvers (NεκTαr and LAMMPS) are linked together by a computational multilevel message passing interface that facilitates modularity and high parallel efficiency. Results of multiscale simulations of clot formation inside the aneurysm in a patient-specific arterial tree are presented. We also discuss the computational challenges involved and present scalability results of our coupled solver on up to 300 K computer processors. Validation of such coupled atomistic-continuum models is a main open issue that has to be addressed in

Multiscale Retinex

Directory of Open Access Journals (Sweden)

Ana Belén Petro

2014-04-01

Full Text Available While the retinex theory aimed at explaining human color perception, its derivations have led to efficient algorithms enhancing local image contrast, thus permitting among other features, to "see in the shadows". Among these derived algorithms, Multiscale Retinex is probably the most successful center-surround image filter. In this paper, we offer an analysis and implementation of Multiscale Retinex. We point out and resolve some ambiguities of the method. In particular, we show that the important color correction final step of the method can be seriously improved. This analysis permits to come up with an automatic implementation of Multiscale Retinex which is as faithful as possible to the one described in the original paper. Overall, this implementation delivers excellent results and confirms the validity of Multiscale Retinex for image color restoration and contrast enhancement. Nevertheless, while the method parameters can be fixed, we show that a crucial choice must be left to the user, depending on the lightning condition of the image: the method must either be applied to each color independently if a color balance is required, or to the luminance only if the goal is to achieve local contrast enhancement. Thus, we propose two slightly different algorithms to deal with both cases.

Coupled numerical approach combining finite volume and lattice Boltzmann methods for multi-scale multi-physicochemical processes

Energy Technology Data Exchange (ETDEWEB)

Chen, Li; He, Ya-Ling [Key Laboratory of Thermo-Fluid Science and Engineering of MOE, School of Energy and Power Engineering, Xi' an Jiaotong University, Xi' an, Shaanxi 710049 (China); Kang, Qinjun [Computational Earth Science Group (EES-16), Los Alamos National Laboratory, Los Alamos, NM (United States); Tao, Wen-Quan, E-mail: wqtao@mail.xjtu.edu.cn [Key Laboratory of Thermo-Fluid Science and Engineering of MOE, School of Energy and Power Engineering, Xi' an Jiaotong University, Xi' an, Shaanxi 710049 (China)

2013-12-15

A coupled (hybrid) simulation strategy spatially combining the finite volume method (FVM) and the lattice Boltzmann method (LBM), called CFVLBM, is developed to simulate coupled multi-scale multi-physicochemical processes. In the CFVLBM, computational domain of multi-scale problems is divided into two sub-domains, i.e., an open, free fluid region and a region filled with porous materials. The FVM and LBM are used for these two regions, respectively, with information exchanged at the interface between the two sub-domains. A general reconstruction operator (RO) is proposed to derive the distribution functions in the LBM from the corresponding macro scalar, the governing equation of which obeys the convection–diffusion equation. The CFVLBM and the RO are validated in several typical physicochemical problems and then are applied to simulate complex multi-scale coupled fluid flow, heat transfer, mass transport, and chemical reaction in a wall-coated micro reactor. The maximum ratio of the grid size between the FVM and LBM regions is explored and discussed. -- Highlights: •A coupled simulation strategy for simulating multi-scale phenomena is developed. •Finite volume method and lattice Boltzmann method are coupled. •A reconstruction operator is derived to transfer information at the sub-domains interface. •Coupled multi-scale multiple physicochemical processes in micro reactor are simulated. •Techniques to save computational resources and improve the efficiency are discussed.

Variational Multi-Scale method with spectral approximation of the sub-scales.

KAUST Repository

Dia, Ben Mansour; Chá con-Rebollo, Tomas

2015-01-01

A variational multi-scale method where the sub-grid scales are computed by spectral approximations is presented. It is based upon an extension of the spectral theorem to non necessarily self-adjoint elliptic operators that have an associated base

One-way quantum computation with four-dimensional photonic qudits

International Nuclear Information System (INIS)

Joo, Jaewoo; Knight, Peter L.; O'Brien, Jeremy L.; Rudolph, Terry

2007-01-01

We consider the possibility of performing linear optical quantum computations making use of extra photonic degrees of freedom. In particular, we focus on the case where we use photons as quadbits, four-dimensional photonic qudits. The basic 2-quadbit cluster state is a hyperentangled state across polarization and two spatial mode degrees of freedom. We examine the nondeterministic methods whereby such states can be created from single photons and/or Bell pairs and then give some mechanisms for performing higher-dimensional fusion gates

Generalized Multiscale Finite-Element Method (GMsFEM) for elastic wave propagation in heterogeneous, anisotropic media

KAUST Repository

Gao, Kai

2015-04-14

It is important to develop fast yet accurate numerical methods for seismic wave propagation to characterize complex geological structures and oil and gas reservoirs. However, the computational cost of conventional numerical modeling methods, such as finite-difference method and finite-element method, becomes prohibitively expensive when applied to very large models. We propose a Generalized Multiscale Generalized Multiscale Finite-Element Method (GMsFEM) for elastic wave propagation in heterogeneous, anisotropic media, where we construct basis functions from multiple local problems for both boundaries and the interior of a coarse node support or coarse element. The application of multiscale basis functions can capture the fine scale medium property variations, and allows us to greatly reduce the degrees of freedom that are required to implement the modeling compared with conventional finite-element method for wave equation, while restricting the error to low values. We formulate the continuous Galerkin and discontinuous Galerkin formulation of the multiscale method, both of which have pros and cons. Applications of the multiscale method to three heterogeneous models show that our multiscale method can effectively model the elastic wave propagation in anisotropic media with a significant reduction in the degrees of freedom in the modeling system.

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...

From Solidification Processing to Microstructure to Mechanical Properties: A Multi-scale X-ray Study of an Al-Cu Alloy Sample

Science.gov (United States)

Tourret, D.; Mertens, J. C. E.; Lieberman, E.; Imhoff, S. D.; Gibbs, J. W.; Henderson, K.; Fezzaa, K.; Deriy, A. L.; Sun, T.; Lebensohn, R. A.; Patterson, B. M.; Clarke, A. J.

2017-11-01

We follow an Al-12 at. pct Cu alloy sample from the liquid state to mechanical failure, using in situ X-ray radiography during directional solidification and tensile testing, as well as three-dimensional computed tomography of the microstructure before and after mechanical testing. The solidification processing stage is simulated with a multi-scale dendritic needle network model, and the micromechanical behavior of the solidified microstructure is simulated using voxelized tomography data and an elasto-viscoplastic fast Fourier transform model. This study demonstrates the feasibility of direct in situ monitoring of a metal alloy microstructure from the liquid processing stage up to its mechanical failure, supported by quantitative simulations of microstructure formation and its mechanical behavior.

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.

Accelerating Electrostatic Surface Potential Calculation with Multiscale Approximation on Graphics Processing Units

Science.gov (United States)

Anandakrishnan, Ramu; Scogland, Tom R. W.; Fenley, Andrew T.; Gordon, John C.; Feng, Wu-chun; Onufriev, Alexey V.

2010-01-01

Tools that compute and visualize biomolecular electrostatic surface potential have been used extensively for studying biomolecular function. However, determining the surface potential for large biomolecules on a typical desktop computer can take days or longer using currently available tools and methods. Two commonly used techniques to speed up these types of electrostatic computations are approximations based on multi-scale coarse-graining and parallelization across multiple processors. This paper demonstrates that for the computation of electrostatic surface potential, these two techniques can be combined to deliver significantly greater speed-up than either one separately, something that is in general not always possible. Specifically, the electrostatic potential computation, using an analytical linearized Poisson Boltzmann (ALPB) method, is approximated using the hierarchical charge partitioning (HCP) multiscale method, and parallelized on an ATI Radeon 4870 graphical processing unit (GPU). The implementation delivers a combined 934-fold speed-up for a 476,040 atom viral capsid, compared to an equivalent non-parallel implementation on an Intel E6550 CPU without the approximation. This speed-up is significantly greater than the 42-fold speed-up for the HCP approximation alone or the 182-fold speed-up for the GPU alone. PMID:20452792

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

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...

One-dimensional computational modeling on nuclear reactor problems

International Nuclear Information System (INIS)

Alves Filho, Hermes; Baptista, Josue Costa; Trindade, Luiz Fernando Santos; Heringer, Juan Diego dos Santos

2013-01-01

In this article, we present a computational modeling, which gives us a dynamic view of some applications of Nuclear Engineering, specifically in the power distribution and the effective multiplication factor (keff) calculations. We work with one-dimensional problems of deterministic neutron transport theory, with the linearized Boltzmann equation in the discrete ordinates (SN) formulation, independent of time, with isotropic scattering and then built a software (Simulator) for modeling computational problems used in a typical calculations. The program used in the implementation of the simulator was Matlab, version 7.0. (author)

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.

plasmaFoam: An OpenFOAM framework for computational plasma physics and chemistry

Science.gov (United States)

Venkattraman, Ayyaswamy; Verma, Abhishek Kumar

2016-09-01

As emphasized in the 2012 Roadmap for low temperature plasmas (LTP), scientific computing has emerged as an essential tool for the investigation and prediction of the fundamental physical and chemical processes associated with these systems. While several in-house and commercial codes exist, with each having its own advantages and disadvantages, a common framework that can be developed by researchers from all over the world will likely accelerate the impact of computational studies on advances in low-temperature plasma physics and chemistry. In this regard, we present a finite volume computational toolbox to perform high-fidelity simulations of LTP systems. This framework, primarily based on the OpenFOAM solver suite, allows us to enhance our understanding of multiscale plasma phenomenon by performing massively parallel, three-dimensional simulations on unstructured meshes using well-established high performance computing tools that are widely used in the computational fluid dynamics community. In this talk, we will present preliminary results obtained using the OpenFOAM-based solver suite with benchmark three-dimensional simulations of microplasma devices including both dielectric and plasma regions. We will also discuss the future outlook for the solver suite.

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.

Terahertz computed tomography in three-dimensional using a pyroelectric array detector

Science.gov (United States)

Li, Bin; Wang, Dayong; Zhou, Xun; Rong, Lu; Huang, Haochong; Wan, Min; Wang, Yunxin

2017-05-01

Terahertz frequency range spans from 0.1 to 10 THz. Terahertz radiation can penetrate nonpolar materials and nonmetallic materials, such as plastics, wood, and clothes. Then the feature makes the terahertz imaging have important research value. Terahertz computed tomography makes use of the penetrability of terahertz radiation and obtains three-dimensional object projection data. In the paper, continuous-wave terahertz computed tomography with a pyroelectric array detectoris presented. Compared with scanning terahertz computed tomography, a pyroelectric array detector can obtain a large number of projection data in a short time, as the acquisition mode of the array pyroelectric detector omit the projection process on the vertical and horizontal direction. With the two-dimensional cross-sectional images of the object are obtained by the filtered back projection algorithm. The two side distance of the straw wall account for 80 pixels, so it multiplied by the pixel size is equal to the diameter of the straw about 6.4 mm. Compared with the actual diameter of the straw, the relative error is 6%. In order to reconstruct the three-dimensional internal structure image of the straw, the y direction range from 70 to 150 are selected on the array pyroelectric detector and are reconstructed by the filtered back projection algorithm. As the pixel size is 80 μm, the height of three-dimensional internal structure image of the straw is 6.48 mm. The presented system can rapidly reconstruct the three-dimensional object by using a pyroelectric array detector and explores the feasibility of on non-destructive evaluation and security testing.

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.

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 simulation of protein hydration using the SWINGER dynamical clustering algorithm

NARCIS (Netherlands)

Zavadlav, Julija; Marrink, Siewert J; Praprotnik, Matej

To perform computationally efficient concurrent multiscale simulations of biological macromolecules in solution, where the all-atom (AT) models are coupled to supramolecular coarse-grained (SCG) solvent models, previous studies resorted to a modified AT water models, such as the bundled-SPC models,

Multiscale Lattice Boltzmann method for flow simulations in highly heterogenous porous media

KAUST Repository

Li, Jun; Brown, Donald; Calo, Victor M.; Efendiev, Yalchin R.; Illiev, Oleg

2013-01-01

.g., water and oil) are modeled using cohesive or repulsive forces, respectively. The relative permeability can be computed using pore-scale simulations and seamlessly applied for intermediate and Darcy-scale simulations. A multiscale LBM that can reduce

A machine learning approach for efficient uncertainty quantification using multiscale methods

Science.gov (United States)

Chan, Shing; Elsheikh, Ahmed H.

2018-02-01

Several multiscale methods account for sub-grid scale features using coarse scale basis functions. For example, in the Multiscale Finite Volume method the coarse scale basis functions are obtained by solving a set of local problems over dual-grid cells. We introduce a data-driven approach for the estimation of these coarse scale basis functions. Specifically, we employ a neural network predictor fitted using a set of solution samples from which it learns to generate subsequent basis functions at a lower computational cost than solving the local problems. The computational advantage of this approach is realized for uncertainty quantification tasks where a large number of realizations has to be evaluated. We attribute the ability to learn these basis functions to the modularity of the local problems and the redundancy of the permeability patches between samples. The proposed method is evaluated on elliptic problems yielding very promising results.

Three-Dimensional Visualization of Ozone Process Data.

Science.gov (United States)

1997-06-18

Scattered Multivariate Data. IEEE Computer Graphics & Applications. 11 (May), 47-55. Odman, M.T. and Ingram, C.L. (1996) Multiscale Air Quality Simulation...the Multiscale Air Quality Simulation Platform (MAQSIP) modeling system. MAQSIP is a modular comprehensive air quality modeling system which MCNC...photolyzed back again to nitric oxide. Finally, oxides of 6 nitrogen are terminated through loss or combination into nitric acid, organic nitrates

Development of porous structure simulator for multi-scale simulation of irregular porous catalysts

International Nuclear Information System (INIS)

Koyama, Michihisa; Suzuki, Ai; Sahnoun, Riadh; Tsuboi, Hideyuki; Hatakeyama, Nozomu; Endou, Akira; Takaba, Hiromitsu; Kubo, Momoji; Del Carpio, Carlos A.; Miyamoto, Akira

2008-01-01

Efficient development of highly functional porous materials, used as catalysts in the automobile industry, demands a meticulous knowledge of the nano-scale interface at the electronic and atomistic scale. However, it is often difficult to correlate the microscopic interfacial interactions with macroscopic characteristics of the materials; for instance, the interaction between a precious metal and its support oxide with long-term sintering properties of the catalyst. Multi-scale computational chemistry approaches can contribute to bridge the gap between micro- and macroscopic characteristics of these materials; however this type of multi-scale simulations has been difficult to apply especially to porous materials. To overcome this problem, we have developed a novel mesoscopic approach based on a porous structure simulator. This simulator can construct automatically irregular porous structures on a computer, enabling simulations with complex meso-scale structures. Moreover, in this work we have developed a new method to simulate long-term sintering properties of metal particles on porous catalysts. Finally, we have applied the method to the simulation of sintering properties of Pt on alumina support. This newly developed method has enabled us to propose a multi-scale simulation approach for porous catalysts

Musical Instrument Identification using Multiscale Mel-frequency Cepstral Coefficients

DEFF Research Database (Denmark)

Sturm, Bob L.; Morvidone, Marcela; Daudet, Laurent

2010-01-01

We investigate the benefits of evaluating Mel-frequency cepstral coefficients (MFCCs) over several time scales in the context of automatic musical instrument identification for signals that are monophonic but derived from real musical settings. We define several sets of features derived from MFCC...... multiscale decompositions perform significantly better than features computed using a single time-resolution....

Multiscale Modeling using Molecular Dynamics and Dual Domain Material Point Method

Energy Technology Data Exchange (ETDEWEB)

Dhakal, Tilak Raj [Los Alamos National Lab. (LANL), Los Alamos, NM (United States). Theoretical Division. Fluid Dynamics and Solid Mechanics Group, T-3; Rice Univ., Houston, TX (United States)

2016-07-07

For problems involving large material deformation rate, the material deformation time scale can be shorter than the material takes to reach a thermodynamical equilibrium. For such problems, it is difficult to obtain a constitutive relation. History dependency become important because of thermodynamic non-equilibrium. Our goal is to build a multi-scale numerical method which can bypass the need for a constitutive relation. In conclusion, multi-scale simulation method is developed based on the dual domain material point (DDMP). Molecular dynamics (MD) simulation is performed to calculate stress. Since the communication among material points is not necessary, the computation can be done embarrassingly parallel in CPU-GPU platform.

Three-Dimensional Computer Graphics Brain-Mapping Project

Science.gov (United States)

1988-03-24

1975-76, one of these brains was hand digitized. It was then reconstructed three dimensionally, using an Evans and Sutherland Picture System 2. This...Yakovlev Collection, we use the Evans and Sutherland Picture System 2 which we have been employing for this purpose for a dozen years. Its virtue is...careful, experimentally designed new protocol (See Figure 20). Most of these heads were imaged with Computed Tomography, thanks to Clint Stiles of Picker

Computation of focal values and stability analysis of 4-dimensional systems

Directory of Open Access Journals (Sweden)

Bo Sang

2015-08-01

Full Text Available This article presents a recursive formula for computing the n-th singular point values of a class of 4-dimensional autonomous systems, and establishes the algebraic equivalence between focal values and singular point values. The formula is linear and then avoids complicated integrating operations, therefore the calculation can be carried out by computer algebra system such as Maple. As an application of the formula, bifurcation analysis is made for a quadratic system with a Hopf equilibrium, which can have three small limit cycles around an equilibrium point. The theory and methodology developed in this paper can be used for higher-dimensional systems.

Fast online generalized multiscale finite element method using constraint energy minimization

Science.gov (United States)

Chung, Eric T.; Efendiev, Yalchin; Leung, Wing Tat

2018-02-01

Local multiscale methods often construct multiscale basis functions in the offline stage without taking into account input parameters, such as source terms, boundary conditions, and so on. These basis functions are then used in the online stage with a specific input parameter to solve the global problem at a reduced computational cost. Recently, online approaches have been introduced, where multiscale basis functions are adaptively constructed in some regions to reduce the error significantly. In multiscale methods, it is desired to have only 1-2 iterations to reduce the error to a desired threshold. Using Generalized Multiscale Finite Element Framework [10], it was shown that by choosing sufficient number of offline basis functions, the error reduction can be made independent of physical parameters, such as scales and contrast. In this paper, our goal is to improve this. Using our recently proposed approach [4] and special online basis construction in oversampled regions, we show that the error reduction can be made sufficiently large by appropriately selecting oversampling regions. Our numerical results show that one can achieve a three order of magnitude error reduction, which is better than our previous methods. We also develop an adaptive algorithm and enrich in selected regions with large residuals. In our adaptive method, we show that the convergence rate can be determined by a user-defined parameter and we confirm this by numerical simulations. The analysis of the method is presented.

The Adaptive Multi-scale Simulation Infrastructure

Energy Technology Data Exchange (ETDEWEB)

Tobin, William R. [Rensselaer Polytechnic Inst., Troy, NY (United States)

2015-09-01

The Adaptive Multi-scale Simulation Infrastructure (AMSI) is a set of libraries and tools developed to support the development, implementation, and execution of general multimodel simulations. Using a minimal set of simulation meta-data AMSI allows for minimally intrusive work to adapt existent single-scale simulations for use in multi-scale simulations. Support for dynamic runtime operations such as single- and multi-scale adaptive properties is a key focus of AMSI. Particular focus has been spent on the development on scale-sensitive load balancing operations to allow single-scale simulations incorporated into a multi-scale simulation using AMSI to use standard load-balancing operations without affecting the integrity of the overall multi-scale simulation.

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.

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 Method to Verify Multilevel Computational Models of Biological Systems Using Multiscale Spatio-Temporal Meta Model Checking.

Science.gov (United States)

Pârvu, Ovidiu; Gilbert, David

2016-01-01

Insights gained from multilevel computational models of biological systems can be translated into real-life applications only if the model correctness has been verified first. One of the most frequently employed in silico techniques for computational model verification is model checking. Traditional model checking approaches only consider the evolution of numeric values, such as concentrations, over time and are appropriate for computational models of small scale systems (e.g. intracellular networks). However for gaining a systems level understanding of how biological organisms function it is essential to consider more complex large scale biological systems (e.g. organs). Verifying computational models of such systems requires capturing both how numeric values and properties of (emergent) spatial structures (e.g. area of multicellular population) change over time and across multiple levels of organization, which are not considered by existing model checking approaches. To address this limitation we have developed a novel approximate probabilistic multiscale spatio-temporal meta model checking methodology for verifying multilevel computational models relative to specifications describing the desired/expected system behaviour. The methodology is generic and supports computational models encoded using various high-level modelling formalisms because it is defined relative to time series data and not the models used to generate it. In addition, the methodology can be automatically adapted to case study specific types of spatial structures and properties using the spatio-temporal meta model checking concept. To automate the computational model verification process we have implemented the model checking approach in the software tool Mule (http://mule.modelchecking.org). Its applicability is illustrated against four systems biology computational models previously published in the literature encoding the rat cardiovascular system dynamics, the uterine contractions of labour

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.

A constrained approach to multiscale stochastic simulation of chemically reacting systems

KAUST Repository

Cotter, Simon L.

2011-01-01

Stochastic simulation of coupled chemical reactions is often computationally intensive, especially if a chemical system contains reactions occurring on different time scales. In this paper, we introduce a multiscale methodology suitable to address this problem, assuming that the evolution of the slow species in the system is well approximated by a Langevin process. It is based on the conditional stochastic simulation algorithm (CSSA) which samples from the conditional distribution of the suitably defined fast variables, given values for the slow variables. In the constrained multiscale algorithm (CMA) a single realization of the CSSA is then used for each value of the slow variable to approximate the effective drift and diffusion terms, in a similar manner to the constrained mean-force computations in other applications such as molecular dynamics. We then show how using the ensuing Fokker-Planck equation approximation, we can in turn approximate average switching times in stochastic chemical systems. © 2011 American Institute of Physics.

A zero-dimensional EXTRAP computer code

International Nuclear Information System (INIS)

Karlsson, P.

1982-10-01

A zero-dimensional computer code has been designed for the EXTRAP experiment to predict the density and the temperature and their dependence upon paramenters such as the plasma current and the filling pressure of neutral gas. EXTRAP is a Z-pinch immersed in a vacuum octupole field and could be either linear or toroidal. In this code the density and temperature are assumed to be constant from the axis up to a breaking point from where they decrease linearly in the radial direction out to the plasma radius. All quantities, however, are averaged over the plasma volume thus giving the zero-dimensional character of the code. The particle, momentum and energy one-fluid equations are solved including the effects of the surrounding neutral gas and oxygen impurities. The code shows that the temperature and density are very sensitive to the shape of the plasma, flatter profiles giving higher temperatures and densities. The temperature, however, is not strongly affected for oxygen concentration less than 2% and is well above the radiation barrier even for higher concentrations. (Author)

Lifetime statistics of quantum chaos studied by a multiscale analysis

KAUST Repository

Di Falco, A.

2012-04-30

In a series of pump and probe experiments, we study the lifetime statistics of a quantum chaotic resonator when the number of open channels is greater than one. Our design embeds a stadium billiard into a two dimensional photonic crystal realized on a silicon-on-insulator substrate. We calculate resonances through a multiscale procedure that combines energy landscape analysis and wavelet transforms. Experimental data is found to follow the universal predictions arising from random matrix theory with an excellent level of agreement.

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.

Three-dimensional integrated CAE system applying computer graphic technique

International Nuclear Information System (INIS)

Kato, Toshisada; Tanaka, Kazuo; Akitomo, Norio; Obata, Tokayasu.

1991-01-01

A three-dimensional CAE system for nuclear power plant design is presented. This system utilizes high-speed computer graphic techniques for the plant design review, and an integrated engineering database for handling the large amount of nuclear power plant engineering data in a unified data format. Applying this system makes it possible to construct a nuclear power plant using only computer data from the basic design phase to the manufacturing phase, and it increases the productivity and reliability of the nuclear power plants. (author)

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

Multiscale synchrony behaviors of paired financial time series by 3D multi-continuum percolation

Science.gov (United States)

Wang, M.; Wang, J.; Wang, B. T.

2018-02-01

Multiscale synchrony behaviors and nonlinear dynamics of paired financial time series are investigated, in an attempt to study the cross correlation relationships between two stock markets. A random stock price model is developed by a new system called three-dimensional (3D) multi-continuum percolation system, which is utilized to imitate the formation mechanism of price dynamics and explain the nonlinear behaviors found in financial time series. We assume that the price fluctuations are caused by the spread of investment information. The cluster of 3D multi-continuum percolation represents the cluster of investors who share the same investment attitude. In this paper, we focus on the paired return series, the paired volatility series, and the paired intrinsic mode functions which are decomposed by empirical mode decomposition. A new cross recurrence quantification analysis is put forward, combining with multiscale cross-sample entropy, to investigate the multiscale synchrony of these paired series from the proposed model. The corresponding research is also carried out for two China stock markets as comparison.

Multiscale System Theory

Science.gov (United States)

1990-02-21

LIDS-P-1953 Multiscale System Theory Albert Benveniste IRISA-INRIA, Campus de Beaulieu 35042 RENNES CEDEX, FRANCE Ramine Nikoukhah INRIA...TITLE AND SUBTITLE Multiscale System Theory 5a. CONTRACT NUMBER 5b. GRANT NUMBER 5c. PROGRAM ELEMENT NUMBER 6. AUTHOR(S) 5d. PROJECT NUMBER 5e...the development of a corresponding system theory and a theory of stochastic processes and their estimation. The research presented in this and several

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

Generalized Multiscale Finite-Element Method (GMsFEM) for elastic wave propagation in heterogeneous, anisotropic media

Energy Technology Data Exchange (ETDEWEB)

Gao, Kai, E-mail: kaigao87@gmail.com [Department of Geology and Geophysics, Texas A& M University, College Station, TX 77843 (United States); Fu, Shubin, E-mail: shubinfu89@gmail.com [Department of Mathematics, Texas A& M University, College Station, TX 77843 (United States); Gibson, Richard L., E-mail: gibson@tamu.edu [Department of Geology and Geophysics, Texas A& M University, College Station, TX 77843 (United States); Chung, Eric T., E-mail: tschung@math.cuhk.edu.hk [Department of Mathematics, The Chinese University of Hong Kong, Shatin, NT (Hong Kong); Efendiev, Yalchin, E-mail: efendiev@math.tamu.edu [Department of Mathematics, Texas A& M University, College Station, TX 77843 (United States); Numerical Porous Media SRI Center (NumPor), King Abdullah University of Science and Technology, Thuwal (Saudi Arabia)

2015-08-15

It is important to develop fast yet accurate numerical methods for seismic wave propagation to characterize complex geological structures and oil and gas reservoirs. However, the computational cost of conventional numerical modeling methods, such as finite-difference method and finite-element method, becomes prohibitively expensive when applied to very large models. We propose a Generalized Multiscale Finite-Element Method (GMsFEM) for elastic wave propagation in heterogeneous, anisotropic media, where we construct basis functions from multiple local problems for both the boundaries and interior of a coarse node support or coarse element. The application of multiscale basis functions can capture the fine scale medium property variations, and allows us to greatly reduce the degrees of freedom that are required to implement the modeling compared with conventional finite-element method for wave equation, while restricting the error to low values. We formulate the continuous Galerkin and discontinuous Galerkin formulation of the multiscale method, both of which have pros and cons. Applications of the multiscale method to three heterogeneous models show that our multiscale method can effectively model the elastic wave propagation in anisotropic media with a significant reduction in the degrees of freedom in the modeling system.

Generalized Multiscale Finite-Element Method (GMsFEM) for elastic wave propagation in heterogeneous, anisotropic media

International Nuclear Information System (INIS)

Gao, Kai; Fu, Shubin; Gibson, Richard L.; Chung, Eric T.; Efendiev, Yalchin

2015-01-01

It is important to develop fast yet accurate numerical methods for seismic wave propagation to characterize complex geological structures and oil and gas reservoirs. However, the computational cost of conventional numerical modeling methods, such as finite-difference method and finite-element method, becomes prohibitively expensive when applied to very large models. We propose a Generalized Multiscale Finite-Element Method (GMsFEM) for elastic wave propagation in heterogeneous, anisotropic media, where we construct basis functions from multiple local problems for both the boundaries and interior of a coarse node support or coarse element. The application of multiscale basis functions can capture the fine scale medium property variations, and allows us to greatly reduce the degrees of freedom that are required to implement the modeling compared with conventional finite-element method for wave equation, while restricting the error to low values. We formulate the continuous Galerkin and discontinuous Galerkin formulation of the multiscale method, both of which have pros and cons. Applications of the multiscale method to three heterogeneous models show that our multiscale method can effectively model the elastic wave propagation in anisotropic media with a significant reduction in the degrees of freedom in the modeling system

Block preconditioners for linear systems arising from multiscale collocation with compactly supported RBFs

KAUST Repository

Farrell, Patricio; Pestana, Jennifer

2015-01-01

. However, the benefit of a guaranteed symmetric positive definite block system comes at a high computational cost. This cost can be alleviated somewhat by considering compactly supported RBFs and a multiscale technique. But the condition number and sparsity

Mixed multiscale finite element methods using approximate global information based on partial upscaling

KAUST Repository

Jiang, Lijian

2009-10-02

The use of limited global information in multiscale simulations is needed when there is no scale separation. Previous approaches entail fine-scale simulations in the computation of the global information. The computation of the global information is expensive. In this paper, we propose the use of approximate global information based on partial upscaling. A requirement for partial homogenization is to capture long-range (non-local) effects present in the fine-scale solution, while homogenizing some of the smallest scales. The local information at these smallest scales is captured in the computation of basis functions. Thus, the proposed approach allows us to avoid the computations at the scales that can be homogenized. This results in coarser problems for the computation of global fields. We analyze the convergence of the proposed method. Mathematical formalism is introduced, which allows estimating the errors due to small scales that are homogenized. The proposed method is applied to simulate two-phase flows in heterogeneous porous media. Numerical results are presented for various permeability fields, including those generated using two-point correlation functions and channelized permeability fields from the SPE Comparative Project (Christie and Blunt, SPE Reserv Evalu Eng 4:308-317, 2001). We consider simple cases where one can identify the scales that can be homogenized. For more general cases, we suggest the use of upscaling on the coarse grid with the size smaller than the target coarse grid where multiscale basis functions are constructed. This intermediate coarse grid renders a partially upscaled solution that contains essential non-local information. Numerical examples demonstrate that the use of approximate global information provides better accuracy than purely local multiscale methods. © 2009 Springer Science+Business Media B.V.

DETECTION OF MICROCALCIFICATION IN DIGITAL MAMMOGRAMS USING ONE DIMENSIONAL WAVELET TRANSFORM

Directory of Open Access Journals (Sweden)

T. Balakumaran

2010-11-01

Full Text Available Mammography is the most efficient method for breast cancer early detection. Clusters of microcalcifications are the early sign of breast cancer and their detection is the key to improve prognosis of breast cancer. Microcalcifications appear in mammogram image as tiny localized granular points, which is often difficult to detect by naked eye because of their small size. Automatic and accurately detection of microcalcifications has received much more attention from radiologists and physician. An efficient method for automatic detection of clustered microcalcifications in digitized mammograms is the use of Computer Aided Diagnosis (CAD systems. This paper presents a one dimensional wavelet-based multiscale products scheme for microcalcification detection in mammogram images. The detection of microcalcifications were achieved by decomposing the each line of mammograms by 1D wavelet transform into different frequency sub-bands, suppressing the low-frequency subband, and finally reconstructing the mammogram from the subbands containing only significant high frequencies features. The significant features are obtained by multiscale products. Preliminary results indicate that the proposed scheme is better in suppressing the background and detecting the microcalcification clusters than any other wavelet decomposition methods.

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.

A concurrent multiscale micromorphic molecular dynamics

International Nuclear Information System (INIS)

Li, Shaofan; Tong, Qi

2015-01-01

In this work, we have derived a multiscale micromorphic molecular dynamics (MMMD) from first principle to extend the (Andersen)-Parrinello-Rahman molecular dynamics to mesoscale and continuum scale. The multiscale micromorphic molecular dynamics is a con-current three-scale dynamics that couples a fine scale molecular dynamics, a mesoscale micromorphic dynamics, and a macroscale nonlocal particle dynamics together. By choosing proper statistical closure conditions, we have shown that the original Andersen-Parrinello-Rahman molecular dynamics is the homogeneous and equilibrium case of the proposed multiscale micromorphic molecular dynamics. In specific, we have shown that the Andersen-Parrinello-Rahman molecular dynamics can be rigorously formulated and justified from first principle, and its general inhomogeneous case, i.e., the three scale con-current multiscale micromorphic molecular dynamics can take into account of macroscale continuum mechanics boundary condition without the limitation of atomistic boundary condition or periodic boundary conditions. The discovered multiscale scale structure and the corresponding multiscale dynamics reveal a seamless transition from atomistic scale to continuum scale and the intrinsic coupling mechanism among them based on first principle formulation

Multiscale Simulations for Coupled Flow and Transport Using the Generalized Multiscale Finite Element Method

KAUST Repository

Chung, Eric; Efendiev, Yalchin R.; Leung, Wing; Ren, Jun

2015-01-01

In this paper, we develop a mass conservative multiscale method for coupled flow and transport in heterogeneous porous media. We consider a coupled system consisting of a convection-dominated transport equation and a flow equation. We construct a coarse grid solver based on the Generalized Multiscale Finite Element Method (GMsFEM) for a coupled system. In particular, multiscale basis functions are constructed based on some snapshot spaces for the pressure and the concentration equations and some local spectral decompositions in the snapshot spaces. The resulting approach uses a few multiscale basis functions in each coarse block (for both the pressure and the concentration) to solve the coupled system. We use the mixed framework, which allows mass conservation. Our main contributions are: (1) the development of a mass conservative GMsFEM for the coupled flow and transport; (2) the development of a robust multiscale method for convection-dominated transport problems by choosing appropriate test and trial spaces within Petrov-Galerkin mixed formulation. We present numerical results and consider several heterogeneous permeability fields. Our numerical results show that with only a few basis functions per coarse block, we can achieve a good approximation.

Multiscale Simulations for Coupled Flow and Transport Using the Generalized Multiscale Finite Element Method

KAUST Repository

Chung, Eric

2015-12-11

In this paper, we develop a mass conservative multiscale method for coupled flow and transport in heterogeneous porous media. We consider a coupled system consisting of a convection-dominated transport equation and a flow equation. We construct a coarse grid solver based on the Generalized Multiscale Finite Element Method (GMsFEM) for a coupled system. In particular, multiscale basis functions are constructed based on some snapshot spaces for the pressure and the concentration equations and some local spectral decompositions in the snapshot spaces. The resulting approach uses a few multiscale basis functions in each coarse block (for both the pressure and the concentration) to solve the coupled system. We use the mixed framework, which allows mass conservation. Our main contributions are: (1) the development of a mass conservative GMsFEM for the coupled flow and transport; (2) the development of a robust multiscale method for convection-dominated transport problems by choosing appropriate test and trial spaces within Petrov-Galerkin mixed formulation. We present numerical results and consider several heterogeneous permeability fields. Our numerical results show that with only a few basis functions per coarse block, we can achieve a good approximation.

On three-dimensional nuclear thermo-hydraulic computation techniques for ATR

International Nuclear Information System (INIS)

1997-08-01

The three-dimensional computation code for nuclear thermo-hydraulic combination core LAYMON-2A is used for the calculation of the power distribution and the control rod reactivity value of the ATR. This code possesses various functions which are required for planning the core operation such as the search function for critical boric acid concentration, and can do various simulation calculations such as core burning calculation. Further, the three-dimensional analysis code for xenon dynamic characteristics in the core LAYMON-2C, in which the dynamic characteristic equation of xenon-samarium was incorporated into the LAYMON-2A code can take the change with time lapse of xenon-samarium concentration accompanying the change of power level and power distribution into account, and it is used for the analysis of the spatial vibration characteristics of power and the regional power control characteristics due to xenon in the core. As to the LAYMON-2A, the computation flow, power distribution and thermo-hydraulic computation models, and critical search function are explained. As to the LAYMON-2C, the computation flow is described. The comparison of the calculated values by using the LAYMON-2A code and the operation data of the Fugen is reported. (K.I.)

Three-dimensional range data compression using computer graphics rendering pipeline.

Science.gov (United States)

Zhang, Song

2012-06-20

This paper presents the idea of naturally encoding three-dimensional (3D) range data into regular two-dimensional (2D) images utilizing computer graphics rendering pipeline. The computer graphics pipeline provides a means to sample 3D geometry data into regular 2D images, and also to retrieve the depth information for each sampled pixel. The depth information for each pixel is further encoded into red, green, and blue color channels of regular 2D images. The 2D images can further be compressed with existing 2D image compression techniques. By this novel means, 3D geometry data obtained by 3D range scanners can be instantaneously compressed into 2D images, providing a novel way of storing 3D range data into its 2D counterparts. We will present experimental results to verify the performance of this proposed technique.

STAB: A kinetic, three-dimensional, one-group digital computer program

International Nuclear Information System (INIS)

Curtis, A.R.; Tyror, J.G.; Wrigley, H.E.

1961-10-01

A computer program for solving the one-group, time dependent, three-dimensional diffusion equation together with auxiliary equations representing heat transfer, xenon production and control rod movements, is presented. The equations and the methods of solution are discussed. (author)

Computational Dimensionalities of Global Supercomputing

Directory of Open Access Journals (Sweden)

Richard S. Segall

2013-12-01

Full Text Available This Invited Paper pertains to subject of my Plenary Keynote Speech at the 17th World Multi-Conference on Systemics, Cybernetics and Informatics (WMSCI 2013 held in Orlando, Florida on July 9-12, 2013. The title of my Plenary Keynote Speech was: "Dimensionalities of Computation: from Global Supercomputing to Data, Text and Web Mining" but this Invited Paper will focus only on the "Computational Dimensionalities of Global Supercomputing" and is based upon a summary of the contents of several individual articles that have been previously written with myself as lead author and published in [75], [76], [77], [78], [79], [80] and [11]. The topics of these of the Plenary Speech included Overview of Current Research in Global Supercomputing [75], Open-Source Software Tools for Data Mining Analysis of Genomic and Spatial Images using High Performance Computing [76], Data Mining Supercomputing with SAS™ JMP® Genomics ([77], [79], [80], and Visualization by Supercomputing Data Mining [81]. ______________________ [11.] Committee on the Future of Supercomputing, National Research Council (2003, The Future of Supercomputing: An Interim Report, ISBN-13: 978-0-309-09016- 2, http://www.nap.edu/catalog/10784.html [75.] Segall, Richard S.; Zhang, Qingyu and Cook, Jeffrey S.(2013, "Overview of Current Research in Global Supercomputing", Proceedings of Forty- Fourth Meeting of Southwest Decision Sciences Institute (SWDSI, Albuquerque, NM, March 12-16, 2013. [76.] Segall, Richard S. and Zhang, Qingyu (2010, "Open-Source Software Tools for Data Mining Analysis of Genomic and Spatial Images using High Performance Computing", Proceedings of 5th INFORMS Workshop on Data Mining and Health Informatics, Austin, TX, November 6, 2010. [77.] Segall, Richard S., Zhang, Qingyu and Pierce, Ryan M.(2010, "Data Mining Supercomputing with SAS™ JMP®; Genomics: Research-in-Progress, Proceedings of 2010 Conference on Applied Research in Information Technology, sponsored by

Library of subroutines to produce one- and two-dimensional statistical distributions on the ES-1010 computer

International Nuclear Information System (INIS)

Vzorov, I.K.; Ivanov, V.V.

1978-01-01

A library of subroutines to produce 1- and 2-dimensional distribution on the ES-1010 computer is described. 1-dimensional distribution is represented as the histogram, 2-dimensional one is represented as the table. The library provides such opportunities as booking and deleting, filling and clearing histograms (tables), arithmetic operations with them, and printing histograms (tables) on the computer printer with variable printer line. All subroutines are written in FORTRAN-4 language and can be called from the program written in FORTRAN or in ASSEMBLER. This library can be implemented on all computer systems that offer a FORTRAN-4 compiler

Three-dimensional cranio-facial computed tomography

Energy Technology Data Exchange (ETDEWEB)

Pozzi Muccelli, R; Stagul, F; Pozzi Muccelli, F; Zuiani, C; Smathers, R

1986-01-01

Computed tomography allows today to reconstruct three-dimensional (eD) images fram axial scans. The authors report their experience in cranio-facial pathology achived in two Departments of Radiology (University of Trieste, Italy and University of Standford, California). 3D images have been realized using two different softwares, one of which allows to reconstruct both soft tissue and bone structures. The application in maxillo-facial traumas, cranio-facial malformations and head tumours are disscussed. 3D images turned out to be very useful for the optimal visualization and for the spatial demostration of the lesion and have potential applications in cranio-facial surgery and radiotherapy.

Three-dimensional cranio-facial computed tomography

International Nuclear Information System (INIS)

Pozzi Muccelli, R.; Stagul, F.; Pozzi Muccelli, F.; Zuiani, C.; Smathers, R.

1986-01-01

Computed tomography allows today to reconstruct three-dimensional (eD) images fram axial scans. The authors report their experience in cranio-facial pathology achived in two Departments of Radiology (University of Trieste, Italy and University of Standford, California). 3D images have been realized using two different softwares, one of which allows to reconstruct both soft tissue and bone structures. The application in maxillo-facial traumas, cranio-facial malformations and head tumours are disscussed. 3D images turned out to be very useful for the optimal visualization and for the spatial demostration of the lesion and have potential applications in cranio-facial surgery and radiotherapy

Dynamic time-dependent analysis and static three-dimensional imaging procedures for computer-assisted CNS studies

International Nuclear Information System (INIS)

Budinger, T.F.; DeLand, F.H.; Duggan, H.E.; Bouz, J.J.; Hoop, B. Jr.; McLaughlin, W.T.; Weber, P.M.

1975-01-01

Two-dimensional computer image-processing techniques have not proved to be of importance in diagnostic nuclear medicine primarily because the radionuclide distribution represents a three-dimensional problem. More recent developments in three-dimensional reconstruction from multiple views or multiple detectors promise to overcome the major limitations in previous work with digital computers. These techniques are now in clinical use for static imaging; however, speed limitations have prevented application to dynamic imaging. The future development of these methods will require innovations in patient positioning and multiple-view devices for either single-gamma or positron annihilation detection

Accelerating electrostatic surface potential calculation with multi-scale approximation on graphics processing units.

Science.gov (United States)

Anandakrishnan, Ramu; Scogland, Tom R W; Fenley, Andrew T; Gordon, John C; Feng, Wu-chun; Onufriev, Alexey V

2010-06-01

Tools that compute and visualize biomolecular electrostatic surface potential have been used extensively for studying biomolecular function. However, determining the surface potential for large biomolecules on a typical desktop computer can take days or longer using currently available tools and methods. Two commonly used techniques to speed-up these types of electrostatic computations are approximations based on multi-scale coarse-graining and parallelization across multiple processors. This paper demonstrates that for the computation of electrostatic surface potential, these two techniques can be combined to deliver significantly greater speed-up than either one separately, something that is in general not always possible. Specifically, the electrostatic potential computation, using an analytical linearized Poisson-Boltzmann (ALPB) method, is approximated using the hierarchical charge partitioning (HCP) multi-scale method, and parallelized on an ATI Radeon 4870 graphical processing unit (GPU). The implementation delivers a combined 934-fold speed-up for a 476,040 atom viral capsid, compared to an equivalent non-parallel implementation on an Intel E6550 CPU without the approximation. This speed-up is significantly greater than the 42-fold speed-up for the HCP approximation alone or the 182-fold speed-up for the GPU alone. Copyright (c) 2010 Elsevier Inc. All rights reserved.

Dimensional measurement of micro-moulded parts by computed tomography

DEFF Research Database (Denmark)

Ontiveros, S.; Yagüe-Fabra, J.A.; Jiménez, R.

2012-01-01

Computed tomography (CT) is progressively assuming an important role in metrology applications and great efforts are being made in order to turn it into a reliable and standardized measuring technology. CT is typically used for non-destructive tests, but it is currently becoming very popular for ...... and the analysis of the results provide valuable conclusions about the advantages and drawbacks of using CT metrology in comparison with other measuring systems when these techniques are employed for the quality control of micro-moulded parts.......Computed tomography (CT) is progressively assuming an important role in metrology applications and great efforts are being made in order to turn it into a reliable and standardized measuring technology. CT is typically used for non-destructive tests, but it is currently becoming very popular...... for dimensional metrology applications due to its strategic advantages such as the capability of performing measurements on both the component's surface and volume, allowing inspection possibilities to otherwise non-accessible internal features. This paper focuses on the dimensional verification of two micro...

Moment-based method for computing the two-dimensional discrete Hartley transform

Science.gov (United States)

Dong, Zhifang; Wu, Jiasong; Shu, Huazhong

2009-10-01

In this paper, we present a fast algorithm for computing the two-dimensional (2-D) discrete Hartley transform (DHT). By using kernel transform and Taylor expansion, the 2-D DHT is approximated by a linear sum of 2-D geometric moments. This enables us to use the fast algorithms developed for computing the 2-D moments to efficiently calculate the 2-D DHT. The proposed method achieves a simple computational structure and is suitable to deal with any sequence lengths.

Two-dimensional computer simulation of high intensity proton beams

CERN Document Server

Lapostolle, Pierre M

1972-01-01

A computer program has been developed which simulates the two- dimensional transverse behaviour of a proton beam in a focusing channel. The model is represented by an assembly of a few thousand 'superparticles' acted upon by their own self-consistent electric field and an external focusing force. The evolution of the system is computed stepwise in time by successively solving Poisson's equation and Newton's law of motion. Fast Fourier transform techniques are used for speed in the solution of Poisson's equation, while extensive area weighting is utilized for the accurate evaluation of electric field components. A computer experiment has been performed on the CERN CDC 6600 computer to study the nonlinear behaviour of an intense beam in phase space, showing under certain circumstances a filamentation due to space charge and an apparent emittance growth. (14 refs).

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.

Computational strategies for three-dimensional flow simulations on distributed computer systems

Science.gov (United States)

Sankar, Lakshmi N.; Weed, Richard A.

1995-08-01

This research effort is directed towards an examination of issues involved in porting large computational fluid dynamics codes in use within the industry to a distributed computing environment. This effort addresses strategies for implementing the distributed computing in a device independent fashion and load balancing. A flow solver called TEAM presently in use at Lockheed Aeronautical Systems Company was acquired to start this effort. The following tasks were completed: (1) The TEAM code was ported to a number of distributed computing platforms including a cluster of HP workstations located in the School of Aerospace Engineering at Georgia Tech; a cluster of DEC Alpha Workstations in the Graphics visualization lab located at Georgia Tech; a cluster of SGI workstations located at NASA Ames Research Center; and an IBM SP-2 system located at NASA ARC. (2) A number of communication strategies were implemented. Specifically, the manager-worker strategy and the worker-worker strategy were tested. (3) A variety of load balancing strategies were investigated. Specifically, the static load balancing, task queue balancing and the Crutchfield algorithm were coded and evaluated. (4) The classical explicit Runge-Kutta scheme in the TEAM solver was replaced with an LU implicit scheme. And (5) the implicit TEAM-PVM solver was extensively validated through studies of unsteady transonic flow over an F-5 wing, undergoing combined bending and torsional motion. These investigations are documented in extensive detail in the dissertation, 'Computational Strategies for Three-Dimensional Flow Simulations on Distributed Computing Systems', enclosed as an appendix.

Computational strategies for three-dimensional flow simulations on distributed computer systems

Science.gov (United States)

Sankar, Lakshmi N.; Weed, Richard A.

1995-01-01

This research effort is directed towards an examination of issues involved in porting large computational fluid dynamics codes in use within the industry to a distributed computing environment. This effort addresses strategies for implementing the distributed computing in a device independent fashion and load balancing. A flow solver called TEAM presently in use at Lockheed Aeronautical Systems Company was acquired to start this effort. The following tasks were completed: (1) The TEAM code was ported to a number of distributed computing platforms including a cluster of HP workstations located in the School of Aerospace Engineering at Georgia Tech; a cluster of DEC Alpha Workstations in the Graphics visualization lab located at Georgia Tech; a cluster of SGI workstations located at NASA Ames Research Center; and an IBM SP-2 system located at NASA ARC. (2) A number of communication strategies were implemented. Specifically, the manager-worker strategy and the worker-worker strategy were tested. (3) A variety of load balancing strategies were investigated. Specifically, the static load balancing, task queue balancing and the Crutchfield algorithm were coded and evaluated. (4) The classical explicit Runge-Kutta scheme in the TEAM solver was replaced with an LU implicit scheme. And (5) the implicit TEAM-PVM solver was extensively validated through studies of unsteady transonic flow over an F-5 wing, undergoing combined bending and torsional motion. These investigations are documented in extensive detail in the dissertation, 'Computational Strategies for Three-Dimensional Flow Simulations on Distributed Computing Systems', enclosed as an appendix.

A geometrical multi-scale numerical method for coupled hygro-thermo-mechanical problems in photovoltaic laminates.

Science.gov (United States)

Lenarda, P; Paggi, M

A comprehensive computational framework based on the finite element method for the simulation of coupled hygro-thermo-mechanical problems in photovoltaic laminates is herein proposed. While the thermo-mechanical problem takes place in the three-dimensional space of the laminate, moisture diffusion occurs in a two-dimensional domain represented by the polymeric layers and by the vertical channel cracks in the solar cells. Therefore, a geometrical multi-scale solution strategy is pursued by solving the partial differential equations governing heat transfer and thermo-elasticity in the three-dimensional space, and the partial differential equation for moisture diffusion in the two dimensional domains. By exploiting a staggered scheme, the thermo-mechanical problem is solved first via a fully implicit solution scheme in space and time, with a specific treatment of the polymeric layers as zero-thickness interfaces whose constitutive response is governed by a novel thermo-visco-elastic cohesive zone model based on fractional calculus. Temperature and relative displacements along the domains where moisture diffusion takes place are then projected to the finite element model of diffusion, coupled with the thermo-mechanical problem by the temperature and crack opening dependent diffusion coefficient. The application of the proposed method to photovoltaic modules pinpoints two important physical aspects: (i) moisture diffusion in humidity freeze tests with a temperature dependent diffusivity is a much slower process than in the case of a constant diffusion coefficient; (ii) channel cracks through Silicon solar cells significantly enhance moisture diffusion and electric degradation, as confirmed by experimental tests.

A computationally inexpensive model for estimating dimensional measurement uncertainty due to x-ray computed tomography instrument misalignments

Science.gov (United States)

Ametova, Evelina; Ferrucci, Massimiliano; Chilingaryan, Suren; Dewulf, Wim

2018-06-01

The recent emergence of advanced manufacturing techniques such as additive manufacturing and an increased demand on the integrity of components have motivated research on the application of x-ray computed tomography (CT) for dimensional quality control. While CT has shown significant empirical potential for this purpose, there is a need for metrological research to accelerate the acceptance of CT as a measuring instrument. The accuracy in CT-based measurements is vulnerable to the instrument geometrical configuration during data acquisition, namely the relative position and orientation of x-ray source, rotation stage, and detector. Consistency between the actual instrument geometry and the corresponding parameters used in the reconstruction algorithm is critical. Currently available procedures provide users with only estimates of geometrical parameters. Quantification and propagation of uncertainty in the measured geometrical parameters must be considered to provide a complete uncertainty analysis and to establish confidence intervals for CT dimensional measurements. In this paper, we propose a computationally inexpensive model to approximate the influence of errors in CT geometrical parameters on dimensional measurement results. We use surface points extracted from a computer-aided design (CAD) model to model discrepancies in the radiographic image coordinates assigned to the projected edges between an aligned system and a system with misalignments. The efficacy of the proposed method was confirmed on simulated and experimental data in the presence of various geometrical uncertainty contributors.

Multiscale Modeling of Carbon/Phenolic Composite Thermal Protection Materials: Atomistic to Effective Properties

Science.gov (United States)

Arnold, Steven M.; Murthy, Pappu L.; Bednarcyk, Brett A.; Lawson, John W.; Monk, Joshua D.; Bauschlicher, Charles W., Jr.

2016-01-01

Next generation ablative thermal protection systems are expected to consist of 3D woven composite architectures. It is well known that composites can be tailored to achieve desired mechanical and thermal properties in various directions and thus can be made fit-for-purpose if the proper combination of constituent materials and microstructures can be realized. In the present work, the first, multiscale, atomistically-informed, computational analysis of mechanical and thermal properties of a present day - Carbon/Phenolic composite Thermal Protection System (TPS) material is conducted. Model results are compared to measured in-plane and out-of-plane mechanical and thermal properties to validate the computational approach. Results indicate that given sufficient microstructural fidelity, along with lowerscale, constituent properties derived from molecular dynamics simulations, accurate composite level (effective) thermo-elastic properties can be obtained. This suggests that next generation TPS properties can be accurately estimated via atomistically informed multiscale analysis.

Three-dimensional computer visualization of forensic pathology data.

Science.gov (United States)

March, Jack; Schofield, Damian; Evison, Martin; Woodford, Noel

2004-03-01

Despite a decade of use in US courtrooms, it is only recently that forensic computer animations have become an increasingly important form of communication in legal spheres within the United Kingdom. Aims Research at the University of Nottingham has been influential in the critical investigation of forensic computer graphics reconstruction methodologies and techniques and in raising the profile of this novel form of data visualization within the United Kingdom. The case study presented demonstrates research undertaken by Aims Research and the Department of Forensic Pathology at the University of Sheffield, which aims to apply, evaluate, and develop novel 3-dimensional computer graphics (CG) visualization and virtual reality (VR) techniques in the presentation and investigation of forensic information concerning the human body. The inclusion of such visualizations within other CG or VR environments may ultimately provide the potential for alternative exploratory directions, processes, and results within forensic pathology investigations.

A new computationally-efficient two-dimensional model for boron implantation into single-crystal silicon

International Nuclear Information System (INIS)

Klein, K.M.; Park, C.; Yang, S.; Morris, S.; Do, V.; Tasch, F.

1992-01-01

We have developed a new computationally-efficient two-dimensional model for boron implantation into single-crystal silicon. This paper reports that this new model is based on the dual Pearson semi-empirical implant depth profile model and the UT-MARLOWE Monte Carlo boron ion implantation model. This new model can predict with very high computational efficiency two-dimensional as-implanted boron profiles as a function of energy, dose, tilt angle, rotation angle, masking edge orientation, and masking edge thickness

Multivariate refined composite multiscale entropy analysis

International Nuclear Information System (INIS)

Humeau-Heurtier, Anne

2016-01-01

Multiscale entropy (MSE) has become a prevailing method to quantify signals complexity. MSE relies on sample entropy. However, MSE may yield imprecise complexity estimation at large scales, because sample entropy does not give precise estimation of entropy when short signals are processed. A refined composite multiscale entropy (RCMSE) has therefore recently been proposed. Nevertheless, RCMSE is for univariate signals only. The simultaneous analysis of multi-channel (multivariate) data often over-performs studies based on univariate signals. We therefore introduce an extension of RCMSE to multivariate data. Applications of multivariate RCMSE to simulated processes reveal its better performances over the standard multivariate MSE. - Highlights: • Multiscale entropy quantifies data complexity but may be inaccurate at large scale. • A refined composite multiscale entropy (RCMSE) has therefore recently been proposed. • Nevertheless, RCMSE is adapted to univariate time series only. • We herein introduce an extension of RCMSE to multivariate data. • It shows better performances than the standard multivariate multiscale entropy.

An Overview of the State of the Art in Atomistic and Multiscale Simulation of Fracture

Science.gov (United States)

Saether, Erik; Yamakov, Vesselin; Phillips, Dawn R.; Glaessgen, Edward H.

2009-01-01

The emerging field of nanomechanics is providing a new focus in the study of the mechanics of materials, particularly in simulating fundamental atomic mechanisms involved in the initiation and evolution of damage. Simulating fundamental material processes using first principles in physics strongly motivates the formulation of computational multiscale methods to link macroscopic failure to the underlying atomic processes from which all material behavior originates. This report gives an overview of the state of the art in applying concurrent and sequential multiscale methods to analyze damage and failure mechanisms across length scales.

Computations in finite-dimensional Lie algebras

Directory of Open Access Journals (Sweden)

A. M. Cohen

1997-12-01

Full Text Available This paper describes progress made in context with the construction of a general library of Lie algebra algorithms, called ELIAS (Eindhoven Lie Algebra System, within the computer algebra package GAP. A first sketch of the package can be found in Cohen and de Graaf[1]. Since then, in a collaborative effort with G. Ivanyos, the authors have continued to develop algorithms which were implemented in ELIAS by the second author. These activities are part of a bigger project, called ACELA and financed by STW, the Dutch Technology Foundation, which aims at an interactive book on Lie algebras (cf. Cohen and Meertens [2]. This paper gives a global description of the main ways in which to present Lie algebras on a computer. We focus on the transition from a Lie algebra abstractly given by an array of structure constants to a Lie algebra presented as a subalgebra of the Lie algebra of n×n matrices. We describe an algorithm typical of the structure analysis of a finite-dimensional Lie algebra: finding a Levi subalgebra of a Lie algebra.

Systematic approximation of multi-scale Feynman integrals arXiv

CERN Document Server

Borowka, Sophia; Hulme, Daniel

An algorithm for the systematic analytical approximation of multi-scale Feynman integrals is presented. The algorithm produces algebraic expressions as functions of the kinematical parameters and mass scales appearing in the Feynman integrals, allowing for fast numerical evaluation. The results are valid in all kinematical regions, both above and below thresholds, up to in principle arbitrary orders in the dimensional regulator. The scope of the algorithm is demonstrated by presenting results for selected two-loop three-point and four-point integrals with an internal mass scale that appear in the two-loop amplitudes for Higgs+jet production.

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.

Efficient Integration of Coupled Electrical-chemical Systems in Multiscale Neuronal Simulations

Directory of Open Access Journals (Sweden)

Ekaterina Brocke

2016-09-01

Full Text Available Multiscale modeling and simulations in neuroscience is gaining scientific attention due to its growing importance and unexplored capabilities. For instance, it can help to acquire better understanding of biological phenomena that have important features at multiple scales of time and space. This includes synaptic plasticity, memory formation and modulation, homeostasis. There are several ways to organize multiscale simulations depending on the scientific problem and the system to be modeled. One of the possibilities is to simulate different components of a multiscale system simultaneously and exchange data when required. The latter may become a challenging task for several reasons. One of them is that the components of a multiscale system usually span different spatial and temporal scales, such that rigorous analysis of possible coupling solutions is required. For certain classes of problems a number of coupling mechanisms have been proposed and successfully used. However, a strict mathematical theory is missing in many cases. Recent work in the field has not so far investigated artifacts that may arise during coupled integration of different approximation methods. Moreover, the coupling of widely used numerical fixed step size solvers may lead to unexpected inefficiency. In this paper we address the question of possible numerical artifacts that can arise during the integration of a coupled system. We develop an efficient strategy to couple the components of a multiscale test system. We introduce an efficient coupling method based on the second-order backward differentiation formula numerical approximation. The method uses an adaptive step size integration with an error estimation proposed by Skelboe (2000. The method shows a significant advantage over conventional fixed step size solvers used for similar problems. We explore different coupling strategies that define the organization of computations between system components. We study the

Versatile Micromechanics Model for Multiscale Analysis of Composite Structures

Science.gov (United States)

Kwon, Y. W.; Park, M. S.

2013-08-01

A general-purpose micromechanics model was developed so that the model could be applied to various composite materials such as reinforced by particles, long fibers and short fibers as well as those containing micro voids. Additionally, the model can be used with hierarchical composite materials. The micromechanics model can be used to compute effective material properties like elastic moduli, shear moduli, Poisson's ratios, and coefficients of thermal expansion for the various composite materials. The model can also calculate the strains and stresses at the constituent material level such as fibers, particles, and whiskers from the composite level stresses and strains. The model was implemented into ABAQUS using the UMAT option for multiscale analysis. An extensive set of examples are presented to demonstrate the reliability and accuracy of the developed micromechanics model for different kinds of composite materials. Another set of examples is provided to study the multiscale analysis of composite structures.

Three-dimensional protein structure prediction: Methods and computational strategies.

Science.gov (United States)

Dorn, Márcio; E Silva, Mariel Barbachan; Buriol, Luciana S; Lamb, Luis C

2014-10-12

A long standing problem in structural bioinformatics is to determine the three-dimensional (3-D) structure of a protein when only a sequence of amino acid residues is given. Many computational methodologies and algorithms have been proposed as a solution to the 3-D Protein Structure Prediction (3-D-PSP) problem. These methods can be divided in four main classes: (a) first principle methods without database information; (b) first principle methods with database information; (c) fold recognition and threading methods; and (d) comparative modeling methods and sequence alignment strategies. Deterministic computational techniques, optimization techniques, data mining and machine learning approaches are typically used in the construction of computational solutions for the PSP problem. Our main goal with this work is to review the methods and computational strategies that are currently used in 3-D protein prediction. Copyright © 2014 Elsevier Ltd. All rights reserved.

Reduced-Contrast Approximations for High-Contrast Multiscale Flow Problems

KAUST Repository

Chung, Eric T.; Efendiev, Yalchin

2010-01-01

In this paper, we study multiscale methods for high-contrast elliptic problems where the media properties change dramatically. The disparity in the media properties (also referred to as high contrast in the paper) introduces an additional scale that needs to be resolved in multiscale simulations. First, we present a construction that uses an integral equation to represent the highcontrast component of the solution. This representation involves solving an integral equation along the interface where the coefficients are discontinuous. The integral representation suggests some multiscale approaches that are discussed in the paper. One of these approaches entails the use of interface functions in addition to multiscale basis functions representing the heterogeneities without high contrast. In this paper, we propose an approximation for the solution of the integral equation using the interface problems in reduced-contrast media. Reduced-contrast media are obtained by lowering the variance of the coefficients. We also propose a similar approach for the solution of the elliptic equation without using an integral representation. This approach is simpler to use in the computations because it does not involve setting up integral equations. The main idea of this approach is to approximate the solution of the high-contrast problem by the solutions of the problems formulated in reduced-contrast media. In this approach, a rapidly converging sequence is proposed where only problems with lower contrast are solved. It was shown that this sequence possesses the convergence rate that is inversely proportional to the reduced contrast. This approximation allows choosing the reduced-contrast problem based on the coarse-mesh size as discussed in this paper. We present a simple application of this approach to homogenization of elliptic equations with high-contrast coefficients. The presented approaches are limited to the cases where there are sharp changes in the contrast (i.e., the high

Complex of two-dimensional multigroup programs for neutron-physical computations of nuclear reactor

International Nuclear Information System (INIS)

Karpov, V.A.; Protsenko, A.N.

1975-01-01

Briefly stated mathematical aspects of the two-dimensional multigroup method of neutron-physical computation of nuclear reactor. Problems of algorithmization and BESM-6 computer realisation of multigroup diffuse approximations in hexagonal and rectangular calculated lattices are analysed. The results of computation of fast critical assembly having complicated composition of the core are given. The estimation of computation accuracy of criticality, neutron fields distribution and efficiency of absorbing rods by means of computer programs developed is done. (author)

Simulating the influence of scatter and beam hardening in dimensional computed tomography

Science.gov (United States)

Lifton, J. J.; Carmignato, S.

2017-10-01

Cone-beam x-ray computed tomography (XCT) is a radiographic scanning technique that allows the non-destructive dimensional measurement of an object’s internal and external features. XCT measurements are influenced by a number of different factors that are poorly understood. This work investigates how non-linear x-ray attenuation caused by beam hardening and scatter influences XCT-based dimensional measurements through the use of simulated data. For the measurement task considered, both scatter and beam hardening are found to influence dimensional measurements when evaluated using the ISO50 surface determination method. On the other hand, only beam hardening is found to influence dimensional measurements when evaluated using an advanced surface determination method. Based on the results presented, recommendations on the use of beam hardening and scatter correction for dimensional XCT are given.

Multiscale image analysis reveals structural heterogeneity of the cell microenvironment in homotypic spheroids.

Science.gov (United States)

Schmitz, Alexander; Fischer, Sabine C; Mattheyer, Christian; Pampaloni, Francesco; Stelzer, Ernst H K

2017-03-03

Three-dimensional multicellular aggregates such as spheroids provide reliable in vitro substitutes for tissues. Quantitative characterization of spheroids at the cellular level is fundamental. We present the first pipeline that provides three-dimensional, high-quality images of intact spheroids at cellular resolution and a comprehensive image analysis that completes traditional image segmentation by algorithms from other fields. The pipeline combines light sheet-based fluorescence microscopy of optically cleared spheroids with automated nuclei segmentation (F score: 0.88) and concepts from graph analysis and computational topology. Incorporating cell graphs and alpha shapes provided more than 30 features of individual nuclei, the cellular neighborhood and the spheroid morphology. The application of our pipeline to a set of breast carcinoma spheroids revealed two concentric layers of different cell density for more than 30,000 cells. The thickness of the outer cell layer depends on a spheroid's size and varies between 50% and 75% of its radius. In differently-sized spheroids, we detected patches of different cell densities ranging from 5 × 10 5 to 1 × 10 6  cells/mm 3 . Since cell density affects cell behavior in tissues, structural heterogeneities need to be incorporated into existing models. Our image analysis pipeline provides a multiscale approach to obtain the relevant data for a system-level understanding of tissue architecture.

VELOCITY FIELD COMPUTATION IN VIBRATED GRANULAR MEDIA USING AN OPTICAL FLOW BASED MULTISCALE IMAGE ANALYSIS METHOD

Directory of Open Access Journals (Sweden)

Johan Debayle

2011-05-01

Full Text Available An image analysis method has been developed in order to compute the velocity field of a granular medium (sand grains, mean diameter 600 μm submitted to different kinds of mechanical stresses. The differential method based on optical flow conservation consists in describing a dense motion field with vectors associated to each pixel. A multiscale, coarse-to-fine, analytical approach through tailor sized windows yields the best compromise between accuracy and robustness of the results, while enabling an acceptable computation time. The corresponding algorithmis presented and its validation discussed through different tests. The results of the validation tests of the proposed approach show that the method is satisfactory when attributing specific values to parameters in association with the size of the image analysis window. An application in the case of vibrated sand has been studied. An instrumented laboratory device provides sinusoidal vibrations and enables external optical observations of sand motion in 3D transparent boxes. At 50 Hz, by increasing the relative acceleration G, the onset and development of two convective rolls can be observed. An ultra fast camera records the grain avalanches, and several pairs of images are analysed by the proposed method. The vertical velocity profiles are deduced and allow to precisely quantify the dimensions of the fluidized region as a function of G.

Three-dimensional turbulent swirling flow in a cylinder: Experiments and computations

International Nuclear Information System (INIS)

Gupta, Amit; Kumar, Ranganathan

2007-01-01

Dynamics of the three-dimensional flow in a cyclone with tangential inlet and tangential exit were studied using particle tracking velocimetry (PTV) and a three-dimensional computational model. The PTV technique is described in this paper and appears to be well suited for the current flow situation. The flow was helical in nature and a secondary recirculating flow was observed and well predicted by computations using the RNG k-ε turbulence model. The secondary flow was characterized by a single vortex which circulated around the axis and occupied a large fraction of the cylinder diameter. The locus of the vortex center meandered around the cylinder axis, making one complete revolution for a cylinder aspect ratio of 2. Tangential velocities from both experiments and computations were compared and found to be in good agreement. The general structure of the flow does not vary significantly as the Reynolds number is increased. However, slight changes in all components of velocity and pressure were seen as the inlet velocity is increased. By increasing the inlet aspect ratio it was observed that the vortex meandering changed significantly

Three-dimensional turbulent swirling flow in a cylinder: Experiments and computations

Energy Technology Data Exchange (ETDEWEB)

Gupta, Amit [Department of Mechanical, Materials and Aerospace Engineering, University of Central Florida, Orlando, FL 32816 (United States); Kumar, Ranganathan [Department of Mechanical, Materials and Aerospace Engineering, University of Central Florida, Orlando, FL 32816 (United States)]. E-mail: rnkumar@mail.ucf.edu

2007-04-15

Dynamics of the three-dimensional flow in a cyclone with tangential inlet and tangential exit were studied using particle tracking velocimetry (PTV) and a three-dimensional computational model. The PTV technique is described in this paper and appears to be well suited for the current flow situation. The flow was helical in nature and a secondary recirculating flow was observed and well predicted by computations using the RNG k-{epsilon} turbulence model. The secondary flow was characterized by a single vortex which circulated around the axis and occupied a large fraction of the cylinder diameter. The locus of the vortex center meandered around the cylinder axis, making one complete revolution for a cylinder aspect ratio of 2. Tangential velocities from both experiments and computations were compared and found to be in good agreement. The general structure of the flow does not vary significantly as the Reynolds number is increased. However, slight changes in all components of velocity and pressure were seen as the inlet velocity is increased. By increasing the inlet aspect ratio it was observed that the vortex meandering changed significantly.

Bayesian data assimilation for stochastic multiscale models of transport in porous media.

Energy Technology Data Exchange (ETDEWEB)

Marzouk, Youssef M. (Massachusetts Institute of Technology, Cambridge, MA); van Bloemen Waanders, Bart Gustaaf (Sandia National Laboratories, Albuquerque NM); Parno, Matthew (Massachusetts Institute of Technology, Cambridge, MA); Ray, Jaideep; Lefantzi, Sophia; Salazar, Luke (Sandia National Laboratories, Albuquerque NM); McKenna, Sean Andrew (Sandia National Laboratories, Albuquerque NM); Klise, Katherine A. (Sandia National Laboratories, Albuquerque NM)

2011-10-01

We investigate Bayesian techniques that can be used to reconstruct field variables from partial observations. In particular, we target fields that exhibit spatial structures with a large spectrum of lengthscales. Contemporary methods typically describe the field on a grid and estimate structures which can be resolved by it. In contrast, we address the reconstruction of grid-resolved structures as well as estimation of statistical summaries of subgrid structures, which are smaller than the grid resolution. We perform this in two different ways (a) via a physical (phenomenological), parameterized subgrid model that summarizes the impact of the unresolved scales at the coarse level and (b) via multiscale finite elements, where specially designed prolongation and restriction operators establish the interscale link between the same problem defined on a coarse and fine mesh. The estimation problem is posed as a Bayesian inverse problem. Dimensionality reduction is performed by projecting the field to be inferred on a suitable orthogonal basis set, viz. the Karhunen-Loeve expansion of a multiGaussian. We first demonstrate our techniques on the reconstruction of a binary medium consisting of a matrix with embedded inclusions, which are too small to be grid-resolved. The reconstruction is performed using an adaptive Markov chain Monte Carlo method. We find that the posterior distributions of the inferred parameters are approximately Gaussian. We exploit this finding to reconstruct a permeability field with long, but narrow embedded fractures (which are too fine to be grid-resolved) using scalable ensemble Kalman filters; this also allows us to address larger grids. Ensemble Kalman filtering is then used to estimate the values of hydraulic conductivity and specific yield in a model of the High Plains Aquifer in Kansas. Strong conditioning of the spatial structure of the parameters and the non-linear aspects of the water table aquifer create difficulty for the ensemble Kalman

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)

Angular interpolations and splice options for three-dimensional transport computations

International Nuclear Information System (INIS)

Abu-Shumays, I.K.; Yehnert, C.E.

1996-01-01

New, accurate and mathematically rigorous angular Interpolation strategies are presented. These strategies preserve flow and directionality separately over each octant of the unit sphere, and are based on a combination of spherical harmonics expansions and least squares algorithms. Details of a three-dimensional to three-dimensional (3-D to 3-D) splice method which utilizes the new angular interpolations are summarized. The method has been implemented in a multidimensional discrete ordinates transport computer program. Various features of the splice option are illustrated by several applications to a benchmark Dog-Legged Void Neutron (DLVN) streaming and transport experimental assembly

THREE-DIMENSIONAL MODELING TOOLS IN THE PROCESS OF FORMATION OF GRAPHIC COMPETENCE OF THE FUTURE BACHELOR OF COMPUTER SCIENCE

Directory of Open Access Journals (Sweden)

Kateryna P. Osadcha

2017-12-01

Full Text Available The article is devoted to some aspects of the formation of future bachelor's graphic competence in computer sciences while teaching the fundamentals for working with three-dimensional modelling means. The analysis, classification and systematization of three-dimensional modelling means are given. The aim of research consists in investigating the set of instruments and classification of three-dimensional modelling means and correlation of skills, which are being formed, concerning inquired ones at the labour market in order to use them further in the process of forming graphic competence during training future bachelors in computer sciences. The peculiarities of the process of forming future bachelor's graphic competence in computer sciences by means of revealing, analyzing and systematizing three-dimensional modelling means and types of three-dimensional graphics at present stage of the development of informational technologies are traced a line round. The result of the research is a soft-ware choice in three-dimensional modelling for the process of training future bachelors in computer sciences.

Registration-based Reconstruction of Four-dimensional Cone Beam Computed Tomography

DEFF Research Database (Denmark)

Christoffersen, Christian; Hansen, David Christoffer; Poulsen, Per Rugaard

2013-01-01

We present a new method for reconstruction of four-dimensional (4D) cone beam computed tomography from an undersampled set of X-ray projections. The novelty of the proposed method lies in utilizing optical flow based registration to facilitate that each temporal phase is reconstructed from the full...

Three-dimensional display by computer graphics method of hepatocellular carcinoma using seen with the hepatic arteriogram

International Nuclear Information System (INIS)

Itsubo, Mariko; Kameda, Haruo; Suzuki, Naoki; Okamura, Tetsuo

1989-01-01

The method of three-dimensional display of hepatocellular carcinoma using conventional hepatic arteriogram by computer graphics method was newly exploited and applied in clinical use. Three-dimensional models were reconstructed from contour lines of tumors demonstrated as hypervascular lesions by hepatic arteriography. Although objects were limited by angiographic images in which tumors need to be demonstrated as nodules with hypervascularity, this method of three-dimensional display was not worse on accuracy than that using computed tomographic images. According to this method property of the tumor expressed by vascularity was demonstrated clear and in addition volume of the tumor was calculated easily. When the tumor arose in necrotic changes in which demonstrated as a vascular lesion by hepatic arteriography with reduction of size in usual by conservative treatment such as transcathter arterial embolization therapy, this three-dimensional display was able to demonstrate such changes clear. This preliminary study demonstrates the feasibility and clinical usefulness of three-dimensional display of hepatocellular carcinoma using hepatic arteriogram by computer graphics method. (author)

RESEARCH ON FEATURE POINTS EXTRACTION METHOD FOR BINARY MULTISCALE AND ROTATION INVARIANT LOCAL FEATURE DESCRIPTOR

Directory of Open Access Journals (Sweden)

Hongwei Ying

2014-08-01

Full Text Available An extreme point of scale space extraction method for binary multiscale and rotation invariant local feature descriptor is studied in this paper in order to obtain a robust and fast method for local image feature descriptor. Classic local feature description algorithms often select neighborhood information of feature points which are extremes of image scale space, obtained by constructing the image pyramid using certain signal transform method. But build the image pyramid always consumes a large amount of computing and storage resources, is not conducive to the actual applications development. This paper presents a dual multiscale FAST algorithm, it does not need to build the image pyramid, but can extract feature points of scale extreme quickly. Feature points extracted by proposed method have the characteristic of multiscale and rotation Invariant and are fit to construct the local feature descriptor.

Computation of two-dimensional isothermal flow in shell-and-tube heat exchangers

International Nuclear Information System (INIS)

Carlucci, L.N.; Galpin, P.F.; Brown, J.D.; Frisina, V.

1983-07-01

A computational procedure is outlined whereby two-dimensional isothermal shell-side flow distributions can be calculated for tube bundles having arbitrary boundaries and flow blocking devices, such as sealing strips, defined in arbitrary locations. The procedure is described in some detail and several computed results are presented to illustrate the robustness and generality of the method

Multiscale Embedded Gene Co-expression Network Analysis.

Directory of Open Access Journals (Sweden)

Won-Min Song

2015-11-01

Full Text Available Gene co-expression network analysis has been shown effective in identifying functional co-expressed gene modules associated with complex human diseases. However, existing techniques to construct co-expression networks require some critical prior information such as predefined number of clusters, numerical thresholds for defining co-expression/interaction, or do not naturally reproduce the hallmarks of complex systems such as the scale-free degree distribution of small-worldness. Previously, a graph filtering technique called Planar Maximally Filtered Graph (PMFG has been applied to many real-world data sets such as financial stock prices and gene expression to extract meaningful and relevant interactions. However, PMFG is not suitable for large-scale genomic data due to several drawbacks, such as the high computation complexity O(|V|3, the presence of false-positives due to the maximal planarity constraint, and the inadequacy of the clustering framework. Here, we developed a new co-expression network analysis framework called Multiscale Embedded Gene Co-expression Network Analysis (MEGENA by: i introducing quality control of co-expression similarities, ii parallelizing embedded network construction, and iii developing a novel clustering technique to identify multi-scale clustering structures in Planar Filtered Networks (PFNs. We applied MEGENA to a series of simulated data and the gene expression data in breast carcinoma and lung adenocarcinoma from The Cancer Genome Atlas (TCGA. MEGENA showed improved performance over well-established clustering methods and co-expression network construction approaches. MEGENA revealed not only meaningful multi-scale organizations of co-expressed gene clusters but also novel targets in breast carcinoma and lung adenocarcinoma.

Multiscale Embedded Gene Co-expression Network Analysis.

Science.gov (United States)

Song, Won-Min; Zhang, Bin

2015-11-01

Gene co-expression network analysis has been shown effective in identifying functional co-expressed gene modules associated with complex human diseases. However, existing techniques to construct co-expression networks require some critical prior information such as predefined number of clusters, numerical thresholds for defining co-expression/interaction, or do not naturally reproduce the hallmarks of complex systems such as the scale-free degree distribution of small-worldness. Previously, a graph filtering technique called Planar Maximally Filtered Graph (PMFG) has been applied to many real-world data sets such as financial stock prices and gene expression to extract meaningful and relevant interactions. However, PMFG is not suitable for large-scale genomic data due to several drawbacks, such as the high computation complexity O(|V|3), the presence of false-positives due to the maximal planarity constraint, and the inadequacy of the clustering framework. Here, we developed a new co-expression network analysis framework called Multiscale Embedded Gene Co-expression Network Analysis (MEGENA) by: i) introducing quality control of co-expression similarities, ii) parallelizing embedded network construction, and iii) developing a novel clustering technique to identify multi-scale clustering structures in Planar Filtered Networks (PFNs). We applied MEGENA to a series of simulated data and the gene expression data in breast carcinoma and lung adenocarcinoma from The Cancer Genome Atlas (TCGA). MEGENA showed improved performance over well-established clustering methods and co-expression network construction approaches. MEGENA revealed not only meaningful multi-scale organizations of co-expressed gene clusters but also novel targets in breast carcinoma and lung adenocarcinoma.

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

Multiscale high-order/low-order (HOLO) algorithms and applications

International Nuclear Information System (INIS)

Chacón, L.; Chen, G.; Knoll, D.A.; Newman, C.; Park, H.; Taitano, W.; Willert, J.A.; Womeldorff, G.

2017-01-01

We review the state of the art in the formulation, implementation, and performance of so-called high-order/low-order (HOLO) algorithms for challenging multiscale problems. HOLO algorithms attempt to couple one or several high-complexity physical models (the high-order model, HO) with low-complexity ones (the low-order model, LO). The primary goal of HOLO algorithms is to achieve nonlinear convergence between HO and LO components while minimizing memory footprint and managing the computational complexity in a practical manner. Key to the HOLO approach is the use of the LO representations to address temporal stiffness, effectively accelerating the convergence of the HO/LO coupled system. The HOLO approach is broadly underpinned by the concept of nonlinear elimination, which enables segregation of the HO and LO components in ways that can effectively use heterogeneous architectures. The accuracy and efficiency benefits of HOLO algorithms are demonstrated with specific applications to radiation transport, gas dynamics, plasmas (both Eulerian and Lagrangian formulations), and ocean modeling. Across this broad application spectrum, HOLO algorithms achieve significant accuracy improvements at a fraction of the cost compared to conventional approaches. It follows that HOLO algorithms hold significant potential for high-fidelity system scale multiscale simulations leveraging exascale computing.

Multiscale high-order/low-order (HOLO) algorithms and applications

Energy Technology Data Exchange (ETDEWEB)

Chacón, L., E-mail: chacon@lanl.gov [Los Alamos National Laboratory, Los Alamos, NM 87545 (United States); Chen, G.; Knoll, D.A.; Newman, C.; Park, H.; Taitano, W. [Los Alamos National Laboratory, Los Alamos, NM 87545 (United States); Willert, J.A. [Institute for Defense Analyses, Alexandria, VA 22311 (United States); Womeldorff, G. [Los Alamos National Laboratory, Los Alamos, NM 87545 (United States)

2017-02-01

We review the state of the art in the formulation, implementation, and performance of so-called high-order/low-order (HOLO) algorithms for challenging multiscale problems. HOLO algorithms attempt to couple one or several high-complexity physical models (the high-order model, HO) with low-complexity ones (the low-order model, LO). The primary goal of HOLO algorithms is to achieve nonlinear convergence between HO and LO components while minimizing memory footprint and managing the computational complexity in a practical manner. Key to the HOLO approach is the use of the LO representations to address temporal stiffness, effectively accelerating the convergence of the HO/LO coupled system. The HOLO approach is broadly underpinned by the concept of nonlinear elimination, which enables segregation of the HO and LO components in ways that can effectively use heterogeneous architectures. The accuracy and efficiency benefits of HOLO algorithms are demonstrated with specific applications to radiation transport, gas dynamics, plasmas (both Eulerian and Lagrangian formulations), and ocean modeling. Across this broad application spectrum, HOLO algorithms achieve significant accuracy improvements at a fraction of the cost compared to conventional approaches. It follows that HOLO algorithms hold significant potential for high-fidelity system scale multiscale simulations leveraging exascale computing.

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.

[Three dimensional CT reconstruction system on a personal computer].

Science.gov (United States)

Watanabe, E; Ide, T; Teramoto, A; Mayanagi, Y

1991-03-01

A new computer system to produce three dimensional surface image from CT scan has been invented. Although many similar systems have been already developed and reported, they are too expensive to be set up in routine clinical services because most of these systems are based on high power mini-computer systems. According to the opinion that a practical 3D-CT system should be used in daily clinical activities using only a personal computer, we have transplanted the 3D program into a personal computer working in MS-DOS (16-bit, 12 MHz). We added to the program a routine which simulates surgical dissection on the surface image. The time required to produce the surface image ranges from 40 to 90 seconds. To facilitate the simulation, we connected a 3D system with the neuronavigator. The navigator gives the position of the surgical simulation when the surgeon places the navigator tip on the patient's head thus simulating the surgical excision before the real dissection.

Multiscale modeling of alloy solidification using a database approach

Science.gov (United States)

Tan, Lijian; Zabaras, Nicholas

2007-11-01

sample problems. The efficiency of the proposed multiscale framework is demonstrated with numerical examples that consider a large number of crystals. A computationally intensive fully-resolved microscale analysis is also performed to evaluate the accuracy of the multiscale framework.

Multiscale Simulations Using Particles

DEFF Research Database (Denmark)

Walther, Jens Honore

vortex methods for problems in continuum fluid dynamics, dissipative particle dynamics for flow at the meso scale, and atomistic molecular dynamics simulations of nanofluidic systems. We employ multiscale techniques to breach the atomistic and continuum scales to study fundamental problems in fluid...... dynamics. Recent work on the thermophoretic motion of water nanodroplets confined inside carbon nanotubes, and multiscale techniques for polar liquids will be discussed in detail at the symposium....

Four-dimensional computed tomographic analysis of esophageal mobility during normal respiration

NARCIS (Netherlands)

Dieleman, Edith M. T.; Senan, Suresh; Vincent, Andrew; Lagerwaard, Frank J.; Slotman, Ben J.; van Sörnsen de Koste, John R.

2007-01-01

BACKGROUND: Chemo-radiotherapy for thoracic tumors can result in high-grade radiation esophagitis. Treatment planning to reduce esophageal irradiation requires organ motion to be accounted for. In this study, esophageal mobility was assessed using four-dimensional computed tomography (4DCT). METHODS

Multi-scale Modeling of Plasticity in Tantalum.

Energy Technology Data Exchange (ETDEWEB)

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

2015-12-01

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

Application of three-dimensional computed tomography in craniofacial clinical practice and research.

Science.gov (United States)

Anderson, P J; Yong, R; Surman, T L; Rajion, Z A; Ranjitkar, S

2014-06-01

Following the invention of the first computed tomography (CT) scanner in the early 1970s, many innovations in three-dimensional (3D) diagnostic imaging technology have occurred, leading to a wide range of applications in craniofacial clinical practice and research. Three-dimensional image analysis provides superior and more detailed information compared with conventional plain two-dimensional (2D) radiography, with the added benefit of 3D printing for preoperative treatment planning and regenerative therapy. Current state-of-the-art multidetector CT (MDCT), also known as medical CT, has an important role in the diagnosis and management of craniofacial injuries and pathology. Three-dimensional cone beam CT (CBCT), pioneered in the 1990s, is gaining increasing popularity in dental and craniofacial clinical practice because of its faster image acquisition at a lower radiation dose, but sound guidelines are needed to ensure its optimal clinical use. Recent innovations in micro-computed tomography (micro-CT) have revolutionized craniofacial biology research by enabling higher resolution scanning of teeth beyond the capabilities of MDCT and CBCT, presenting new prospects for translational clinical research. Even after four decades of refinement, CT technology continues to advance and broaden the horizons of craniofacial clinical practice and phenomics research. © 2014 Australian Dental Association.

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.

The Multiscale Material Point Method for Simulating Transient Responses

Science.gov (United States)

Chen, Zhen; Su, Yu-Chen; Zhang, Hetao; Jiang, Shan; Sewell, Thomas

2015-06-01

To effectively simulate multiscale transient responses such as impact and penetration without invoking master/slave treatment, the multiscale material point method (Multi-MPM) is being developed in which molecular dynamics at nanoscale and dissipative particle dynamics at mesoscale might be concurrently handled within the framework of the original MPM at microscale (continuum level). The proposed numerical scheme for concurrently linking different scales is described in this paper with simple examples for demonstration. It is shown from the preliminary study that the mapping and re-mapping procedure used in the original MPM could coarse-grain the information at fine scale and that the proposed interfacial scheme could provide a smooth link between different scales. Since the original MPM is an extension from computational fluid dynamics to solid dynamics, the proposed Multi-MPM might also become robust for dealing with multiphase interactions involving failure evolution. This work is supported in part by DTRA and NSFC.

A Multi-Scale Computational Study on the Mechanism of Streptococcus pneumoniae Nicotinamidase (SpNic

Directory of Open Access Journals (Sweden)

Bogdan F. Ion

2014-09-01

Full Text Available Nicotinamidase (Nic is a key zinc-dependent enzyme in NAD metabolism that catalyzes the hydrolysis of nicotinamide to give nicotinic acid. A multi-scale computational approach has been used to investigate the catalytic mechanism, substrate binding and roles of active site residues of Nic from Streptococcus pneumoniae (SpNic. In particular, density functional theory (DFT, molecular dynamics (MD and ONIOM quantum mechanics/molecular mechanics (QM/MM methods have been employed. The overall mechanism occurs in two stages: (i formation of a thioester enzyme-intermediate (IC2 and (ii hydrolysis of the thioester bond to give the products. The polar protein environment has a significant effect in stabilizing reaction intermediates and in particular transition states. As a result, both stages effectively occur in one step with Stage 1, formation of IC2, being rate limiting barrier with a cost of 53.5 kJ•mol−1 with respect to the reactant complex, RC. The effects of dispersion interactions on the overall mechanism were also considered but were generally calculated to have less significant effects with the overall mechanism being unchanged. In addition, the active site lysyl (Lys103 is concluded to likely play a role in stabilizing the thiolate of Cys136 during the reaction.

A multi-scale computational study on the mechanism of Streptococcus pneumoniae Nicotinamidase (SpNic).

Science.gov (United States)

Ion, Bogdan F; Kazim, Erum; Gauld, James W

2014-09-29

Nicotinamidase (Nic) is a key zinc-dependent enzyme in NAD metabolism that catalyzes the hydrolysis of nicotinamide to give nicotinic acid. A multi-scale computational approach has been used to investigate the catalytic mechanism, substrate binding and roles of active site residues of Nic from Streptococcus pneumoniae (SpNic). In particular, density functional theory (DFT), molecular dynamics (MD) and ONIOM quantum mechanics/molecular mechanics (QM/MM) methods have been employed. The overall mechanism occurs in two stages: (i) formation of a thioester enzyme-intermediate (IC2) and (ii) hydrolysis of the thioester bond to give the products. The polar protein environment has a significant effect in stabilizing reaction intermediates and in particular transition states. As a result, both stages effectively occur in one step with Stage 1, formation of IC2, being rate limiting barrier with a cost of 53.5 kJ·mol-1 with respect to the reactant complex, RC. The effects of dispersion interactions on the overall mechanism were also considered but were generally calculated to have less significant effects with the overall mechanism being unchanged. In addition, the active site lysyl (Lys103) is concluded to likely play a role in stabilizing the thiolate of Cys136 during the reaction.

Gaussian multiscale aggregation applied to segmentation in hand biometrics.

Science.gov (United States)

de Santos Sierra, Alberto; Avila, Carmen Sánchez; Casanova, Javier Guerra; del Pozo, Gonzalo Bailador

2011-01-01

This paper presents an image segmentation algorithm based on Gaussian multiscale aggregation oriented to hand biometric applications. The method is able to isolate the hand from a wide variety of background textures such as carpets, fabric, glass, grass, soil or stones. The evaluation was carried out by using a publicly available synthetic database with 408,000 hand images in different backgrounds, comparing the performance in terms of accuracy and computational cost to two competitive segmentation methods existing in literature, namely Lossy Data Compression (LDC) and Normalized Cuts (NCuts). The results highlight that the proposed method outperforms current competitive segmentation methods with regard to computational cost, time performance, accuracy and memory usage.

Development of three-dimensional computed tomography system using TNRF2 of JRR-3M

Energy Technology Data Exchange (ETDEWEB)

Murata, Yutaka; Mochiki, Koh-ichi [Musashi Inst. of Tech., Tokyo (Japan); Matsubayashi, Masahito

1998-01-01

A three-dimensional filtering engine, a convolution engine, and a back projection engine were developed for real-time signal processing of three-dimensional computed tomography. The performance of the system was measured and through-put of 0.5 second per one cross sectional data processing was attained. (author)

Three-dimensional magnetic field computation on a distributed memory parallel processor

International Nuclear Information System (INIS)

Barion, M.L.

1990-01-01

The analysis of three-dimensional magnetic fields by finite element methods frequently proves too onerous a task for the computing resource on which it is attempted. When non-linear and transient effects are included, it may become impossible to calculate the field distribution to sufficient resolution. One approach to this problem is to exploit the natural parallelism in the finite element method via parallel processing. This paper reports on an implementation of a finite element code for non-linear three-dimensional low-frequency magnetic field calculation on Intel's iPSC/2

Computer codes for three dimensional mass transport with non-linear sorption

International Nuclear Information System (INIS)

Noy, D.J.

1985-03-01

The report describes the mathematical background and data input to finite element programs for three dimensional mass transport in a porous medium. The transport equations are developed and sorption processes are included in a general way so that non-linear equilibrium relations can be introduced. The programs are described and a guide given to the construction of the required input data sets. Concluding remarks indicate that the calculations require substantial computer resources and suggest that comprehensive preliminary analysis with lower dimensional codes would be important in the assessment of field data. (author)

Comparison of two three-dimensional cephalometric analysis computer software.

Science.gov (United States)

Sawchuk, Dena; Alhadlaq, Adel; Alkhadra, Thamer; Carlyle, Terry D; Kusnoto, Budi; El-Bialy, Tarek

2014-10-01

Three-dimensional cephalometric analyses are getting more attraction in orthodontics. The aim of this study was to compare two softwares to evaluate three-dimensional cephalometric analyses of orthodontic treatment outcomes. Twenty cone beam computed tomography images were obtained using i-CAT(®) imaging system from patient's records as part of their regular orthodontic records. The images were analyzed using InVivoDental5.0 (Anatomage Inc.) and 3DCeph™ (University of Illinois at Chicago, Chicago, IL, USA) software. Before and after orthodontic treatments data were analyzed using t-test. Reliability test using interclass correlation coefficient was stronger for InVivoDental5.0 (0.83-0.98) compared with 3DCeph™ (0.51-0.90). Paired t-test comparison of the two softwares shows no statistical significant difference in the measurements made in the two softwares. InVivoDental5.0 measurements are more reproducible and user friendly when compared to 3DCeph™. No statistical difference between the two softwares in linear or angular measurements. 3DCeph™ is more time-consuming in performing three-dimensional analysis compared with InVivoDental5.0.

Magnetospheric Multiscale (MMS) Observation of Plasma Velocity-Space Cascade Processes

Science.gov (United States)

Parashar, T. N.; Servidio, S.; Matthaeus, W. H.; Chasapis, A.; Perrone, D.; Valentini, F.; Veltri, P.; Gershman, D. J.; Schwartz, S. J.; Giles, B. L.; Fuselier, S. A.; Phan, T.; Burch, J.

2017-12-01

Plasma turbulence is investigated using high-resolution ion velocity distributions, measured by theMagnetospheric Multiscale Mission (MMS) in the Earth's magnetosheath. The particle distributionmanifests large fluctuations, suggesting a cascade-like process in velocity space, invoked by theoristsfor many years. This complex velocity space structure is investigated using a three-dimensional Hermitetransform that reveals a power law distribution of moments. A Kolmogorov approach leads directlyto a range of predictions for this phase-space cascade. The scaling theory is in agreement withobservations, suggesting a new path for the study of plasma turbulence in weakly collisional spaceand astrophysical plasmas.

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.

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.

Pattern recognition algorithms for data mining scalability, knowledge discovery and soft granular computing

CERN Document Server

Pal, Sankar K

2004-01-01

Pattern Recognition Algorithms for Data Mining addresses different pattern recognition (PR) tasks in a unified framework with both theoretical and experimental results. Tasks covered include data condensation, feature selection, case generation, clustering/classification, and rule generation and evaluation. This volume presents various theories, methodologies, and algorithms, using both classical approaches and hybrid paradigms. The authors emphasize large datasets with overlapping, intractable, or nonlinear boundary classes, and datasets that demonstrate granular computing in soft frameworks.Organized into eight chapters, the book begins with an introduction to PR, data mining, and knowledge discovery concepts. The authors analyze the tasks of multi-scale data condensation and dimensionality reduction, then explore the problem of learning with support vector machine (SVM). They conclude by highlighting the significance of granular computing for different mining tasks in a soft paradigm.

Microstructural analysis of TRISO particles using multi-scale X-ray computed tomography

Energy Technology Data Exchange (ETDEWEB)

Lowe, T., E-mail: tristan.lowe@manchester.ac.uk [Manchester X-ray Imaging Facility, School of Materials, University of Manchester, M13 9PL (United Kingdom); Bradley, R.S. [Manchester X-ray Imaging Facility, School of Materials, University of Manchester, M13 9PL (United Kingdom); Yue, S. [Manchester X-ray Imaging Facility, School of Materials, University of Manchester, M13 9PL (United Kingdom); The Research Complex at Harwell, Rutherford Appleton Laboratory, Didcot, Oxfordshire OX11 0FA (United Kingdom); Barii, K. [School of Mechanical Engineering, University of Manchester, M13 9PL (United Kingdom); Gelb, J. [Zeiss Xradia Inc., Pleasanton, CA (United States); Rohbeck, N. [Manchester X-ray Imaging Facility, School of Materials, University of Manchester, M13 9PL (United Kingdom); Turner, J. [School of Mechanical Engineering, University of Manchester, M13 9PL (United Kingdom); Withers, P.J. [Manchester X-ray Imaging Facility, School of Materials, University of Manchester, M13 9PL (United Kingdom); The Research Complex at Harwell, Rutherford Appleton Laboratory, Didcot, Oxfordshire OX11 0FA (United Kingdom)

2015-06-15

TRISO particles, a composite nuclear fuel built up by ceramic and graphitic layers, have outstanding high temperature resistance. TRISO fuel is the key technology for High Temperature Reactors (HTRs) and the Generation IV Very High Temperature Reactor (VHTR) variant. TRISO offers unparalleled containment of fission products and is extremely robust during accident conditions. An understanding of the thermal performance and mechanical properties of TRISO fuel requires a detailed knowledge of pore sizes, their distribution and interconnectivity. Here 50 nm, nano-, and 1 μm resolution, micro-computed tomography (CT), have been used to quantify non-destructively porosity of a surrogate TRISO particle at the 0.3–10 μm and 3–100 μm scales respectively. This indicates that pore distributions can reliably be measured down to a size approximately 3 times the pixel size which is consistent with the segmentation process. Direct comparison with Scanning Electron Microscopy (SEM) sections indicates that destructive sectioning can introduce significant levels of coarse damage, especially in the pyrolytic carbon layers. Further comparative work is required to identify means of minimizing such damage for SEM studies. Finally since it is non-destructive, multi-scale time-lapse X-ray CT opens the possibility of intermittently tracking the degradation of TRISO structure under thermal cycles or radiation conditions in order to validate models of degradation such as kernel movement. X-ray CT in-situ experimentation of TRISO particles under load and temperature could also be used to understand the internal changes that occur in the particles under accident conditions.

Three-dimensional demonstration of liver and spleen by computer graphics technique

International Nuclear Information System (INIS)

Kashiwagi, Toru; Azuma, Masayoshi; Katayama, Kazuhiro; Yoshioka, Hiroaki; Ishizu, Hiromi; Mitsutani, Natsuki; Koizumi, Takao; Takayama, Ichiro

1987-01-01

Three-dimensional demonstration system of the liver and spleen has been developed using computer graphics technique. Three-dimensional models were constructed from CT images of the organ surface. The three-dimensional images were displayed as wire-frame and/or solid models on the color CRT. The anatomical surface of the liver and spleen was realistically viewed from any direction. In liver cirrhosis, atrophy of the right lobe, hypertrophy of the left lobe and splenomegaly were displayed vividly. The liver and hepatoma were displayed as wire-frame and solid models respectively on the same image. This combined display clarified the intrahepatic location of hepatoma together with configuration of liver and hepatoma. Furthermore, superimposed display of three dimensional models and celiac angiogram enabled us to understand the location and configuration of lesions more easily than the original CT data or angiogram alone. Therefore, it is expected that this system is clinically useful for noninvasive evaluation of patho-morphological changes of the liver and spleen. (author)

Three-dimensional computer aided design system for plant layout

International Nuclear Information System (INIS)

Yoshinaga, Toshiaki; Kiguchi, Takashi; Tokumasu, Shinji; Kumamoto, Kenjiro.

1986-01-01

The CAD system for three-dimensional plant layout planning, with which the layout of pipings, cable trays, air conditioning ducts and so on in nuclear power plants can be planned and designed effectively in a short period is reported. This system comprises the automatic routing system by storing the rich experience and know-how of designers in a computer as the knowledge, and deciding the layout automatically following the predetermined sequence by using these, the interactive layout system for reviewing the routing results from higher level and modifying to the optimum layout, the layout evaluation system for synthetically evaluating the layout from the viewpoint of the operability such as checkup and maintenance, and the data base system which enables these effective planning and design. In this report, the total constitution of this system and the technical features and effects of the individual subsystems are outlined. In this CAD system for three-dimensional plant layout planning, knowledge engineering, CAD/CAM, computer graphics and other latest technology were introduced, accordingly by applying this system to plant design, the design can be performed quickly, various case studies can be carried out at planning stage, and systematic and optimum layout planning becomes possible. (Kako, I.)

One-dimensional unstable eigenfunction and manifold computations in delay differential equations

International Nuclear Information System (INIS)

Green, Kirk; Krauskopf, Bernd; Engelborghs, Koen

2004-01-01

In this paper we present a new numerical technique for computing the unstable eigenfunctions of a saddle periodic orbit in a delay differential equation. This is used to obtain the necessary starting data for an established algorithm for computing one-dimensional (1D) unstable manifolds of an associated saddle fixed point of a suitable Poincare map. To illustrate our method, we investigate an intermittent transition to chaos in a delay system describing a semiconductor laser subject to phase-conjugate feedback

ANS main control complex three-dimensional computer model development

International Nuclear Information System (INIS)

Cleaves, J.E.; Fletcher, W.M.

1993-01-01

A three-dimensional (3-D) computer model of the Advanced Neutron Source (ANS) main control complex is being developed. The main control complex includes the main control room, the technical support center, the materials irradiation control room, computer equipment rooms, communications equipment rooms, cable-spreading rooms, and some support offices and breakroom facilities. The model will be used to provide facility designers and operations personnel with capabilities for fit-up/interference analysis, visual ''walk-throughs'' for optimizing maintain-ability, and human factors and operability analyses. It will be used to determine performance design characteristics, to generate construction drawings, and to integrate control room layout, equipment mounting, grounding equipment, electrical cabling, and utility services into ANS building designs. This paper describes the development of the initial phase of the 3-D computer model for the ANS main control complex and plans for its development and use

Affine.m—Mathematica package for computations in representation theory of finite-dimensional and affine Lie algebras

Science.gov (United States)

Nazarov, Anton

2012-11-01

In this paper we present Affine.m-a program for computations in representation theory of finite-dimensional and affine Lie algebras and describe implemented algorithms. The algorithms are based on the properties of weights and Weyl symmetry. Computation of weight multiplicities in irreducible and Verma modules, branching of representations and tensor product decomposition are the most important problems for us. These problems have numerous applications in physics and we provide some examples of these applications. The program is implemented in the popular computer algebra system Mathematica and works with finite-dimensional and affine Lie algebras. Catalogue identifier: AENA_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AENB_v1_0.html Program obtainable from: CPC Program Library, Queen’s University, Belfast, UK Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 24 844 No. of bytes in distributed program, including test data, etc.: 1 045 908 Distribution format: tar.gz Programming language: Mathematica. Computer: i386-i686, x86_64. Operating system: Linux, Windows, Mac OS, Solaris. RAM: 5-500 Mb Classification: 4.2, 5. Nature of problem: Representation theory of finite-dimensional Lie algebras has many applications in different branches of physics, including elementary particle physics, molecular physics, nuclear physics. Representations of affine Lie algebras appear in string theories and two-dimensional conformal field theory used for the description of critical phenomena in two-dimensional systems. Also Lie symmetries play a major role in a study of quantum integrable systems. Solution method: We work with weights and roots of finite-dimensional and affine Lie algebras and use Weyl symmetry extensively. Central problems which are the computations of weight multiplicities, branching and fusion coefficients are solved using one general recurrent

Comparative study of cranial anthropometric measurement by traditional calipers to computed tomography and three-dimensional photogrammetry.

Science.gov (United States)

Mendonca, Derick A; Naidoo, Sybill D; Skolnick, Gary; Skladman, Rachel; Woo, Albert S

2013-07-01

Craniofacial anthropometry by direct caliper measurements is a common method of quantifying the morphology of the cranial vault. New digital imaging modalities including computed tomography and three-dimensional photogrammetry are similarly being used to obtain craniofacial surface measurements. This study sought to compare the accuracy of anthropometric measurements obtained by calipers versus 2 methods of digital imaging.Standard anterior-posterior, biparietal, and cranial index measurements were directly obtained on 19 participants with an age range of 1 to 20 months. Computed tomographic scans and three-dimensional photographs were both obtained on each child within 2 weeks of the clinical examination. Two analysts measured the anterior-posterior and biparietal distances on the digital images. Measures of reliability and bias between the modalities were calculated and compared.Caliper measurements were found to underestimate the anterior-posterior and biparietal distances as compared with those of the computed tomography and the three-dimensional photogrammetry (P photogrammetry (P = 0.002). The coefficients of variation for repeated measures based on the computed tomography and the three-dimensional photogrammetry were 0.008 and 0.007, respectively.In conclusion, measurements based on digital modalities are generally reliable and interchangeable. Caliper measurements lead to underestimation of anterior-posterior and biparietal values compared with digital imaging.

MOSRA-Light; high speed three-dimensional nodal diffusion code for vector computers

Energy Technology Data Exchange (ETDEWEB)

Okumura, Keisuke [Japan Atomic Energy Research Inst., Tokai, Ibaraki (Japan). Tokai Research Establishment

1998-10-01

MOSRA-Light is a three-dimensional neutron diffusion calculation code for X-Y-Z geometry. It is based on the 4th order polynomial nodal expansion method (NEM). As the 4th order NEM is not sensitive to mesh sizes, accurate calculation is possible by the use of coarse meshes of about 20 cm. The drastic decrease of number of unknowns in a 3-dimensional problem results in very fast computation. Furthermore, it employs newly developed computation algorithm `boundary separated checkerboard sweep method` appropriate to vector computers. This method is very efficient because the speedup factor by vectorization increases, as a scale of problem becomes larger. Speed-up factor compared to the scalar calculation is from 20 to 40 in the case of PWR core calculation. Considering the both effects by the vectorization and the coarse mesh method, total speedup factor is more than 1000 as compared with conventional scalar code with the finite difference method. MOSRA-Light can be available on most of vector or scalar computers with the UNIX or it`s similar operating systems (e.g. freeware like Linux). Users can easily install it by the help of the conversation style installer. This report contains the general theory of NEM, the fast computation algorithm, benchmark calculation results and detailed information for usage of this code including input data instructions and sample input data. (author)

MOSRA-Light; high speed three-dimensional nodal diffusion code for vector computers

International Nuclear Information System (INIS)

Okumura, Keisuke

1998-10-01

MOSRA-Light is a three-dimensional neutron diffusion calculation code for X-Y-Z geometry. It is based on the 4th order polynomial nodal expansion method (NEM). As the 4th order NEM is not sensitive to mesh sizes, accurate calculation is possible by the use of coarse meshes of about 20 cm. The drastic decrease of number of unknowns in a 3-dimensional problem results in very fast computation. Furthermore, it employs newly developed computation algorithm 'boundary separated checkerboard sweep method' appropriate to vector computers. This method is very efficient because the speedup factor by vectorization increases, as a scale of problem becomes larger. Speed-up factor compared to the scalar calculation is from 20 to 40 in the case of PWR core calculation. Considering the both effects by the vectorization and the coarse mesh method, total speedup factor is more than 1000 as compared with conventional scalar code with the finite difference method. MOSRA-Light can be available on most of vector or scalar computers with the UNIX or it's similar operating systems (e.g. freeware like Linux). Users can easily install it by the help of the conversation style installer. This report contains the general theory of NEM, the fast computation algorithm, benchmark calculation results and detailed information for usage of this code including input data instructions and sample input data. (author)

The analysis of one-dimensional reactor kinetics benchmark computations

International Nuclear Information System (INIS)

Sidell, J.

1975-11-01

During March 1973 the European American Committee on Reactor Physics proposed a series of simple one-dimensional reactor kinetics problems, with the intention of comparing the relative efficiencies of the numerical methods employed in various codes, which are currently in use in many national laboratories. This report reviews the contributions submitted to this benchmark exercise and attempts to assess the relative merits and drawbacks of the various theoretical and computer methods. (author)

Quadcopter control in three-dimensional space using a noninvasive motor imagery based brain-computer interface

Science.gov (United States)

LaFleur, Karl; Cassady, Kaitlin; Doud, Alexander; Shades, Kaleb; Rogin, Eitan; He, Bin

2013-01-01

Objective At the balanced intersection of human and machine adaptation is found the optimally functioning brain-computer interface (BCI). In this study, we report a novel experiment of BCI controlling a robotic quadcopter in three-dimensional physical space using noninvasive scalp EEG in human subjects. We then quantify the performance of this system using metrics suitable for asynchronous BCI. Lastly, we examine the impact that operation of a real world device has on subjects’ control with comparison to a two-dimensional virtual cursor task. Approach Five human subjects were trained to modulate their sensorimotor rhythms to control an AR Drone navigating a three-dimensional physical space. Visual feedback was provided via a forward facing camera on the hull of the drone. Individual subjects were able to accurately acquire up to 90.5% of all valid targets presented while travelling at an average straight-line speed of 0.69 m/s. Significance Freely exploring and interacting with the world around us is a crucial element of autonomy that is lost in the context of neurodegenerative disease. Brain-computer interfaces are systems that aim to restore or enhance a user’s ability to interact with the environment via a computer and through the use of only thought. We demonstrate for the first time the ability to control a flying robot in the three-dimensional physical space using noninvasive scalp recorded EEG in humans. Our work indicates the potential of noninvasive EEG based BCI systems to accomplish complex control in three-dimensional physical space. The present study may serve as a framework for the investigation of multidimensional non-invasive brain-computer interface control in a physical environment using telepresence robotics. PMID:23735712

Technical Report: Toward a Scalable Algorithm to Compute High-Dimensional Integrals of Arbitrary Functions

International Nuclear Information System (INIS)

Snyder, Abigail C.; Jiao, Yu

2010-01-01

Neutron experiments at the Spallation Neutron Source (SNS) at Oak Ridge National Laboratory (ORNL) frequently generate large amounts of data (on the order of 106-1012 data points). Hence, traditional data analysis tools run on a single CPU take too long to be practical and scientists are unable to efficiently analyze all data generated by experiments. Our goal is to develop a scalable algorithm to efficiently compute high-dimensional integrals of arbitrary functions. This algorithm can then be used to integrate the four-dimensional integrals that arise as part of modeling intensity from the experiments at the SNS. Here, three different one-dimensional numerical integration solvers from the GNU Scientific Library were modified and implemented to solve four-dimensional integrals. The results of these solvers on a final integrand provided by scientists at the SNS can be compared to the results of other methods, such as quasi-Monte Carlo methods, computing the same integral. A parallelized version of the most efficient method can allow scientists the opportunity to more effectively analyze all experimental data.

Asymptotic Expansion Homogenization for Multiscale Nuclear Fuel Analysis

International Nuclear Information System (INIS)

2015-01-01

Engineering scale nuclear fuel performance simulations can benefit by utilizing high-fidelity models running at a lower length scale. Lower length-scale models provide a detailed view of the material behavior that is used to determine the average material response at the macroscale. These lower length-scale calculations may provide insight into material behavior where experimental data is sparse or nonexistent. This multiscale approach is especially useful in the nuclear field, since irradiation experiments are difficult and expensive to conduct. The lower length-scale models complement the experiments by influencing the types of experiments required and by reducing the total number of experiments needed. This multiscale modeling approach is a central motivation in the development of the BISON-MARMOT fuel performance codes at Idaho National Laboratory. These codes seek to provide more accurate and predictive solutions for nuclear fuel behavior. One critical aspect of multiscale modeling is the ability to extract the relevant information from the lower length-scale sim- ulations. One approach, the asymptotic expansion homogenization (AEH) technique, has proven to be an effective method for determining homogenized material parameters. The AEH technique prescribes a system of equations to solve at the microscale that are used to compute homogenized material constants for use at the engineering scale. In this work, we employ AEH to explore the effect of evolving microstructural thermal conductivity and elastic constants on nuclear fuel performance. We show that the AEH approach fits cleanly into the BISON and MARMOT codes and provides a natural, multidimensional homogenization capability.

A computer program for fitting smooth surfaces to an aircraft configuration and other three dimensional geometries

Science.gov (United States)

Craidon, C. B.

1975-01-01

A computer program that uses a three-dimensional geometric technique for fitting a smooth surface to the component parts of an aircraft configuration is presented. The resulting surface equations are useful in performing various kinds of calculations in which a three-dimensional mathematical description is necessary. Programs options may be used to compute information for three-view and orthographic projections of the configuration as well as cross-section plots at any orientation through the configuration. The aircraft geometry input section of the program may be easily replaced with a surface point description in a different form so that the program could be of use for any three-dimensional surface equations.

Numerical methods and analysis of multiscale problems

CERN Document Server

Madureira, Alexandre L

2017-01-01

This book is about numerical modeling of multiscale problems, and introduces several asymptotic analysis and numerical techniques which are necessary for a proper approximation of equations that depend on different physical scales. Aimed at advanced undergraduate and graduate students in mathematics, engineering and physics – or researchers seeking a no-nonsense approach –, it discusses examples in their simplest possible settings, removing mathematical hurdles that might hinder a clear understanding of the methods. The problems considered are given by singular perturbed reaction advection diffusion equations in one and two-dimensional domains, partial differential equations in domains with rough boundaries, and equations with oscillatory coefficients. This work shows how asymptotic analysis can be used to develop and analyze models and numerical methods that are robust and work well for a wide range of parameters.

PAD: a one-dimensional, coupled neutronic-thermodynamic-hydrodynamic computer code

International Nuclear Information System (INIS)

Peterson, D.M.; Stratton, W.R.; McLaughlin, T.P.

1976-12-01

Theoretical and numerical foundations, utilization guide, sample problems, and program listing and glossary are given for the PAD computer code which describes dynamic systems with interactive neutronics, thermodynamics, and hydrodynamics in one-dimensional spherical, cylindrical, and planar geometries. The code has been applied to prompt critical excursions in various fissioning systems (solution, metal, LMFBR, etc.) as well as to nonfissioning systems

A Multiscale Computational Model of the Response of Swine Epidermis After Acute Irradiation

Science.gov (United States)

Hu, Shaowen; Cucinotta, Francis A.

2012-01-01

Radiation exposure from Solar Particle Events can lead to very high skin dose for astronauts on exploration missions outside the protection of the Earth s magnetic field [1]. Assessing the detrimental effects to human skin under such adverse conditions could be predicted by conducting territorial experiments on animal models. In this study we apply a computational approach to simulate the experimental data of the radiation response of swine epidermis, which is closely similar to human epidermis [2]. Incorporating experimentally measured histological and cell kinetic parameters into a multiscale tissue modeling framework, we obtain results of population kinetics and proliferation index comparable to unirradiated and acutely irradiated swine experiments [3]. It is noted the basal cell doubling time is 10 to 16 days in the intact population, but drops to 13.6 hr in the regenerating populations surviving irradiation. This complex 30-fold variation is proposed to be attributed to the shortening of the G1 phase duration. We investigate this radiation induced effect by considering at the sub-cellular level the expression and signaling of TGF-beta, as it is recognized as a key regulatory factor of tissue formation and wound healing [4]. This integrated model will allow us to test the validity of various basic biological rules at the cellular level and sub-cellular mechanisms by qualitatively comparing simulation results with published research, and should lead to a fuller understanding of the pathophysiological effects of ionizing radiation on the skin.

Gaussian Multiscale Aggregation Applied to Segmentation in Hand Biometrics

Directory of Open Access Journals (Sweden)

Gonzalo Bailador del Pozo

2011-11-01

Full Text Available This paper presents an image segmentation algorithm based on Gaussian multiscale aggregation oriented to hand biometric applications. The method is able to isolate the hand from a wide variety of background textures such as carpets, fabric, glass, grass, soil or stones. The evaluation was carried out by using a publicly available synthetic database with 408,000 hand images in different backgrounds, comparing the performance in terms of accuracy and computational cost to two competitive segmentation methods existing in literature, namely Lossy Data Compression (LDC and Normalized Cuts (NCuts. The results highlight that the proposed method outperforms current competitive segmentation methods with regard to computational cost, time performance, accuracy and memory usage.

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.

Extraction of drainage networks from large terrain datasets using high throughput computing

Science.gov (United States)

Gong, Jianya; Xie, Jibo

2009-02-01

Advanced digital photogrammetry and remote sensing technology produces large terrain datasets (LTD). How to process and use these LTD has become a big challenge for GIS users. Extracting drainage networks, which are basic for hydrological applications, from LTD is one of the typical applications of digital terrain analysis (DTA) in geographical information applications. Existing serial drainage algorithms cannot deal with large data volumes in a timely fashion, and few GIS platforms can process LTD beyond the GB size. High throughput computing (HTC), a distributed parallel computing mode, is proposed to improve the efficiency of drainage networks extraction from LTD. Drainage network extraction using HTC involves two key issues: (1) how to decompose the large DEM datasets into independent computing units and (2) how to merge the separate outputs into a final result. A new decomposition method is presented in which the large datasets are partitioned into independent computing units using natural watershed boundaries instead of using regular 1-dimensional (strip-wise) and 2-dimensional (block-wise) decomposition. Because the distribution of drainage networks is strongly related to watershed boundaries, the new decomposition method is more effective and natural. The method to extract natural watershed boundaries was improved by using multi-scale DEMs instead of single-scale DEMs. A HTC environment is employed to test the proposed methods with real datasets.

Computational hemodynamics of an implanted coronary stent based on three-dimensional cine angiography reconstruction.

Science.gov (United States)

Chen, Mounter C Y; Lu, Po-Chien; Chen, James S Y; Hwang, Ned H C

2005-01-01

Coronary stents are supportive wire meshes that keep narrow coronary arteries patent, reducing the risk of restenosis. Despite the common use of coronary stents, approximately 20-35% of them fail due to restenosis. Flow phenomena adjacent to the stent may contribute to restenosis. Three-dimensional computational fluid dynamics (CFD) and reconstruction based on biplane cine angiography were used to assess coronary geometry and volumetric blood flows. A patient-specific left anterior descending (LAD) artery was reconstructed from single-plane x-ray imaging. With corresponding electrocardiographic signals, images from the same time phase were selected from the angiograms for dynamic three-dimensional reconstruction. The resultant three-dimensional LAD artery at end-diastole was adopted for detailed analysis. Both the geometries and flow fields, based on a computational model from CAE software (ANSYS and CATIA) and full three-dimensional Navier-Stroke equations in the CFD-ACE+ software, respectively, changed dramatically after stent placement. Flow fields showed a complex three-dimensional spiral motion due to arterial tortuosity. The corresponding wall shear stresses, pressure gradient, and flow field all varied significantly after stent placement. Combined angiography and CFD techniques allow more detailed investigation of flow patterns in various segments. The implanted stent(s) may be quantitatively studied from the proposed hemodynamic modeling approach.

Computation of complexity measures of morphologically significant zones decomposed from binary fractal sets via multiscale convexity analysis

International Nuclear Information System (INIS)

Lim, Sin Liang; Koo, Voon Chet; Daya Sagar, B.S.

2009-01-01

Multiscale convexity analysis of certain fractal binary objects-like 8-segment Koch quadric, Koch triadic, and random Koch quadric and triadic islands-is performed via (i) morphologic openings with respect to recursively changing the size of a template, and (ii) construction of convex hulls through half-plane closings. Based on scale vs convexity measure relationship, transition levels between the morphologic regimes are determined as crossover scales. These crossover scales are taken as the basis to segment binary fractal objects into various morphologically prominent zones. Each segmented zone is characterized through normalized morphologic complexity measures. Despite the fact that there is no notably significant relationship between the zone-wise complexity measures and fractal dimensions computed by conventional box counting method, fractal objects-whether they are generated deterministically or by introducing randomness-possess morphologically significant sub-zones with varied degrees of spatial complexities. Classification of realistic fractal sets and/or fields according to sub-zones possessing varied degrees of spatial complexities provides insight to explore links with the physical processes involved in the formation of fractal-like phenomena.

New possibilities of three-dimensional reconstruction of computed tomography scans

International Nuclear Information System (INIS)

Herman, M.; Tarjan, Z.; Pozzi-Mucelli, R.S.

1996-01-01

Three-dimensional (3D) computed tomography (CT) scan reconstructions provide impressive and illustrative images of various parts of the human body. Such images are reconstructed from a series of basic CT scans by dedicated software. The state of the art in 3D computed tomography is demonstrated with emphasis on the imaging of soft tissues. Examples are presented of imaging the craniofacial and maxillofacial complex, central nervous system, cardiovascular system, musculoskeletal system, gastrointestinal and urogenital systems, and respiratory system, and their potential in clinical practice is discussed. Although contributing no new essential diagnostic information against conventional CT scans, 3D scans can help in spatial orientation. 11 figs., 25 refs

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.

Variational Multi-Scale method with spectral approximation of the sub-scales.

KAUST Repository

Dia, Ben Mansour

2015-01-07

A variational multi-scale method where the sub-grid scales are computed by spectral approximations is presented. It is based upon an extension of the spectral theorem to non necessarily self-adjoint elliptic operators that have an associated base of eigenfunctions which are orthonormal in weighted L2 spaces. We propose a feasible VMS-spectral method by truncation of this spectral expansion to a nite number of modes.

Multiscale Hybrid Nonlocal Means Filtering Using Modified Similarity Measure

Directory of Open Access Journals (Sweden)

Zahid Hussain Shamsi

2015-01-01

Full Text Available A new multiscale implementation of nonlocal means filtering (MHNLM for image denoising is proposed. The proposed algorithm also introduces a modification of the similarity measure for patch comparison. Assuming the patch as an oriented surface, the notion of a normal vectors patch is introduced. The inner product of these normal vectors patches is defined and then used in the weighted Euclidean distance of intensity patches as the weight factor. The algorithm involves two steps: the first step is a multiscale implementation of an accelerated nonlocal means filtering in the discrete stationary wavelet domain to obtain a refined version of the noisy patches for later comparison. The next step is to apply the proposed modification of standard nonlocal means filtering to the noisy image using the reference patches obtained in the first step. These refined patches contain less noise, and consequently the computation of normal vectors and partial derivatives is more precise. Experimental results show equivalent or better performance of the proposed algorithm compared to various state-of-the-art algorithms.

Multi-scale structural community organisation of the human genome.

Science.gov (United States)

Boulos, Rasha E; Tremblay, Nicolas; Arneodo, Alain; Borgnat, Pierre; Audit, Benjamin

2017-04-11

Structural interaction frequency matrices between all genome loci are now experimentally achievable thanks to high-throughput chromosome conformation capture technologies. This ensues a new methodological challenge for computational biology which consists in objectively extracting from these data the structural motifs characteristic of genome organisation. We deployed the fast multi-scale community mining algorithm based on spectral graph wavelets to characterise the networks of intra-chromosomal interactions in human cell lines. We observed that there exist structural domains of all sizes up to chromosome length and demonstrated that the set of structural communities forms a hierarchy of chromosome segments. Hence, at all scales, chromosome folding predominantly involves interactions between neighbouring sites rather than the formation of links between distant loci. Multi-scale structural decomposition of human chromosomes provides an original framework to question structural organisation and its relationship to functional regulation across the scales. By construction the proposed methodology is independent of the precise assembly of the reference genome and is thus directly applicable to genomes whose assembly is not fully determined.

Current state of standardization in the field of dimensional computed tomography

International Nuclear Information System (INIS)

Bartscher, Markus; Härtig, Frank; Neuschaefer-Rube, Ulrich; Sato, Osamu

2014-01-01

Industrial x-ray computed tomography (CT) is a well-established non-destructive testing (NDT) technology and has been in use for decades. Moreover, CT has also started to become an important technology for dimensional metrology. But the requirements on dimensional CTs, i.e., on performing coordinate measurements with CT, are different from NDT. For dimensional measurements, the position of interfaces or surfaces is of importance, while this is often less critical in NDT. Standardization plays an important role here as it can create trust in new measurement technologies as is the case for dimensional CT. At the international standardization level, the ISO TC 213 WG 10 is working on specifications for dimensional CT. This paper highlights the demands on international standards in the field of dimensional CT and describes the current developments from the viewpoint of representatives of national and international standardization committees. Key aspects of the discussion are the material influence on the length measurement error E and how E can best be measured. A respective study was performed on hole plates as new reference standards for error testing of length measurements incorporating the material influence. We performed corresponding measurement data analysis and present a further elaborated hole plate design. The authors also comment on different approaches currently pursued and give an outlook on upcoming developments as far as they can be foreseen. (paper)

Bayesian Uncertainty Quantification for Subsurface Inversion Using a Multiscale Hierarchical Model

KAUST Repository

Mondal, Anirban

2014-07-03

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

Observations on the Performance of X-Ray Computed Tomography for Dimensional Metrology

Science.gov (United States)

Corcoran, H. C.; Brown, S. B.; Robson, S.; Speller, R. D.; McCarthy, M. B.

2016-06-01

X-ray computed tomography (XCT) is a rising technology within many industries and sectors with a demand for dimensional metrology, defect, void analysis and reverse engineering. There are many variables that can affect the dimensional metrology of objects imaged using XCT, this paper focusses on the effects of beam hardening due to the orientation of the workpiece, in this case a holeplate, and the volume of material the X-rays travel through. Measurements discussed include unidirectional and bidirectional dimensions, radii of cylinders, fit point deviations of the fitted shapes and cylindricity. Results indicate that accuracy and precision of these dimensional measurements are affected in varying amounts, both by the amount of material the X-rays have travelled through and the orientation of the object.

OBSERVATIONS ON THE PERFORMANCE OF X-RAY COMPUTED TOMOGRAPHY FOR DIMENSIONAL METROLOGY

Directory of Open Access Journals (Sweden)

H. C. Corcoran

2016-06-01

Full Text Available X-ray computed tomography (XCT is a rising technology within many industries and sectors with a demand for dimensional metrology, defect, void analysis and reverse engineering. There are many variables that can affect the dimensional metrology of objects imaged using XCT, this paper focusses on the effects of beam hardening due to the orientation of the workpiece, in this case a holeplate, and the volume of material the X-rays travel through. Measurements discussed include unidirectional and bidirectional dimensions, radii of cylinders, fit point deviations of the fitted shapes and cylindricity. Results indicate that accuracy and precision of these dimensional measurements are affected in varying amounts, both by the amount of material the X-rays have travelled through and the orientation of the object.

Three-dimensional flow phenomena in a wire-wrapped 37-pin fuel bundle for SFR

Energy Technology Data Exchange (ETDEWEB)

Jeong, Jae Ho; Yoo, Jin; Lee, Kwi Lim; Ha, Kwi Seok [Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of)

2015-08-15

Three-dimensional flow phenomena in a wire-wrapped 37-pin fuel assembly mock-up of a Japanese loop-type sodium-cooled fast reactor, Monju, were investigated with a numerical analysis using a general-purpose commercial computational fluid dynamics code, CFX. Complicated and vortical flow phenomena in the wire-wrapped 37-pin fuel assembly were captured by a Reynolds-averaged Navier-Stokes flow simulation using a shear stress transport turbulence model. The main purpose of the current study is to understand the three-dimensional complex flow phenomena in a wire-wrapped fuel assembly to support the license issue for the core design. Computational fluid dynamics results show good agreement with friction factor correlation models. The secondary flow in the corner and edge subchannels is much stronger than that in an interior subchannel. The axial velocity averaged in the corner and edge subchannels is higher than that averaged in the interior subchannels. Three-dimensional multiscale vortex structures start to be formed by an interaction between secondary flows around each wire-wrapped pin. Behavior of the large-scale vortex structures in the corner and edge subchannels is closely related to the relative position between the hexagonal duct wall and the helically wrapped wire spacer. The small-scale vortex is axially developed in the interior subchannels. Furthermore, a driving force on each wire spacer surface is closely related to the relative position between the hexagonal duct wall and the wire spacer.

Multivariate and multiscale data assimilation in terrestrial systems: a review.

Science.gov (United States)

Montzka, Carsten; Pauwels, Valentijn R N; Franssen, Harrie-Jan Hendricks; Han, Xujun; Vereecken, Harry

2012-11-26

More and more terrestrial observational networks are being established to monitor climatic, hydrological and land-use changes in different regions of the World. In these networks, time series of states and fluxes are recorded in an automated manner, often with a high temporal resolution. These data are important for the understanding of water, energy, and/or matter fluxes, as well as their biological and physical drivers and interactions with and within the terrestrial system. Similarly, the number and accuracy of variables, which can be observed by spaceborne sensors, are increasing. Data assimilation (DA) methods utilize these observations in terrestrial models in order to increase process knowledge as well as to improve forecasts for the system being studied. The widely implemented automation in observing environmental states and fluxes makes an operational computation more and more feasible, and it opens the perspective of short-time forecasts of the state of terrestrial systems. In this paper, we review the state of the art with respect to DA focusing on the joint assimilation of observational data precedents from different spatial scales and different data types. An introduction is given to different DA methods, such as the Ensemble Kalman Filter (EnKF), Particle Filter (PF) and variational methods (3/4D-VAR). In this review, we distinguish between four major DA approaches: (1) univariate single-scale DA (UVSS), which is the approach used in the majority of published DA applications, (2) univariate multiscale DA (UVMS) referring to a methodology which acknowledges that at least some of the assimilated data are measured at a different scale than the computational grid scale, (3) multivariate single-scale DA (MVSS) dealing with the assimilation of at least two different data types, and (4) combined multivariate multiscale DA (MVMS). Finally, we conclude with a discussion on the advantages and disadvantages of the assimilation of multiple data types in a

Multivariate and Multiscale Data Assimilation in Terrestrial Systems: A Review

Directory of Open Access Journals (Sweden)

Harry Vereecken

2012-11-01

Full Text Available More and more terrestrial observational networks are being established to monitor climatic, hydrological and land-use changes in different regions of the World. In these networks, time series of states and fluxes are recorded in an automated manner, often with a high temporal resolution. These data are important for the understanding of water, energy, and/or matter fluxes, as well as their biological and physical drivers and interactions with and within the terrestrial system. Similarly, the number and accuracy of variables, which can be observed by spaceborne sensors, are increasing. Data assimilation (DA methods utilize these observations in terrestrial models in order to increase process knowledge as well as to improve forecasts for the system being studied. The widely implemented automation in observing environmental states and fluxes makes an operational computation more and more feasible, and it opens the perspective of short-time forecasts of the state of terrestrial systems. In this paper, we review the state of the art with respect to DA focusing on the joint assimilation of observational data precedents from different spatial scales and different data types. An introduction is given to different DA methods, such as the Ensemble Kalman Filter (EnKF, Particle Filter (PF and variational methods (3/4D-VAR. In this review, we distinguish between four major DA approaches: (1 univariate single-scale DA (UVSS, which is the approach used in the majority of published DA applications, (2 univariate multiscale DA (UVMS referring to a methodology which acknowledges that at least some of the assimilated data are measured at a different scale than the computational grid scale, (3 multivariate single-scale DA (MVSS dealing with the assimilation of at least two different data types, and (4 combined multivariate multiscale DA (MVMS. Finally, we conclude with a discussion on the advantages and disadvantages of the assimilation of multiple data types in a

Computing stationary solutions of the two-dimensional Gross-Pitaevskii equation with deflated continuation

Science.gov (United States)

Charalampidis, E. G.; Kevrekidis, P. G.; Farrell, P. E.

2018-01-01

In this work we employ a recently proposed bifurcation analysis technique, the deflated continuation algorithm, to compute steady-state solitary waveforms in a one-component, two-dimensional nonlinear Schrödinger equation with a parabolic trap and repulsive interactions. Despite the fact that this system has been studied extensively, we discover a wide variety of previously unknown branches of solutions. We analyze the stability of the newly discovered branches and discuss the bifurcations that relate them to known solutions both in the near linear (Cartesian, as well as polar) and in the highly nonlinear regimes. While deflated continuation is not guaranteed to compute the full bifurcation diagram, this analysis is a potent demonstration that the algorithm can discover new nonlinear states and provide insights into the energy landscape of complex high-dimensional Hamiltonian dynamical systems.

Integration of Computed Tomography and Three-Dimensional Echocardiography for Hybrid Three-Dimensional Printing in Congenital Heart Disease.

Science.gov (United States)

Gosnell, Jordan; Pietila, Todd; Samuel, Bennett P; Kurup, Harikrishnan K N; Haw, Marcus P; Vettukattil, Joseph J

2016-12-01

Three-dimensional (3D) printing is an emerging technology aiding diagnostics, education, and interventional, and surgical planning in congenital heart disease (CHD). Three-dimensional printing has been derived from computed tomography, cardiac magnetic resonance, and 3D echocardiography. However, individually the imaging modalities may not provide adequate visualization of complex CHD. The integration of the strengths of two or more imaging modalities has the potential to enhance visualization of cardiac pathomorphology. We describe the feasibility of hybrid 3D printing from two imaging modalities in a patient with congenitally corrected transposition of the great arteries (L-TGA). Hybrid 3D printing may be useful as an additional tool for cardiologists and cardiothoracic surgeons in planning interventions in children and adults with CHD.

Computational multiscale modeling of intergranular cracking

International Nuclear Information System (INIS)

Simonovski, Igor; Cizelj, Leon

2011-01-01

A novel computational approach for simulation of intergranular cracks in a polycrystalline aggregate is proposed in this paper. The computational model includes a topological model of the experimentally determined microstructure of a 400 μm diameter stainless steel wire and automatic finite element discretization of the grains and grain boundaries. The microstructure was spatially characterized by X-ray diffraction contrast tomography and contains 362 grains and some 1600 grain boundaries. Available constitutive models currently include isotropic elasticity for the grain interior and cohesive behavior with damage for the grain boundaries. The experimentally determined lattice orientations are employed to distinguish between resistant low energy and susceptible high energy grain boundaries in the model. The feasibility and performance of the proposed computational approach is demonstrated by simulating the onset and propagation of intergranular cracking. The preliminary numerical results are outlined and discussed.

Preoperative (3-dimensional) computed tomography lung reconstruction before anatomic segmentectomy or lobectomy for stage I non-small cell lung cancer.

Science.gov (United States)

Chan, Ernest G; Landreneau, James R; Schuchert, Matthew J; Odell, David D; Gu, Suicheng; Pu, Jiantao; Luketich, James D; Landreneau, Rodney J

2015-09-01

Accurate cancer localization and negative resection margins are necessary for successful segmentectomy. In this study, we evaluate a newly developed software package that permits automated segmentation of the pulmonary parenchyma, allowing 3-dimensional assessment of tumor size, location, and estimates of surgical margins. A pilot study using a newly developed 3-dimensional computed tomography analytic software package was performed to retrospectively evaluate preoperative computed tomography images of patients who underwent segmentectomy (n = 36) or lobectomy (n = 15) for stage 1 non-small cell lung cancer. The software accomplishes an automated reconstruction of anatomic pulmonary segments of the lung based on bronchial arborization. Estimates of anticipated surgical margins and pulmonary segmental volume were made on the basis of 3-dimensional reconstruction. Autosegmentation was achieved in 72.7% (32/44) of preoperative computed tomography images with slice thicknesses of 3 mm or less. Reasons for segmentation failure included local severe emphysema or pneumonitis, and lower computed tomography resolution. Tumor segmental localization was achieved in all autosegmented studies. The 3-dimensional computed tomography analysis provided a positive predictive value of 87% in predicting a marginal clearance greater than 1 cm and a 75% positive predictive value in predicting a margin to tumor diameter ratio greater than 1 in relation to the surgical pathology assessment. This preoperative 3-dimensional computed tomography analysis of segmental anatomy can confirm the tumor location within an anatomic segment and aid in predicting surgical margins. This 3-dimensional computed tomography information may assist in the preoperative assessment regarding the suitability of segmentectomy for peripheral lung cancers. Published by Elsevier Inc.

Flexible feature-space-construction architecture and its VLSI implementation for multi-scale object detection

Science.gov (United States)

Luo, Aiwen; An, Fengwei; Zhang, Xiangyu; Chen, Lei; Huang, Zunkai; Jürgen Mattausch, Hans

2018-04-01

Feature extraction techniques are a cornerstone of object detection in computer-vision-based applications. The detection performance of vison-based detection systems is often degraded by, e.g., changes in the illumination intensity of the light source, foreground-background contrast variations or automatic gain control from the camera. In order to avoid such degradation effects, we present a block-based L1-norm-circuit architecture which is configurable for different image-cell sizes, cell-based feature descriptors and image resolutions according to customization parameters from the circuit input. The incorporated flexibility in both the image resolution and the cell size for multi-scale image pyramids leads to lower computational complexity and power consumption. Additionally, an object-detection prototype for performance evaluation in 65 nm CMOS implements the proposed L1-norm circuit together with a histogram of oriented gradients (HOG) descriptor and a support vector machine (SVM) classifier. The proposed parallel architecture with high hardware efficiency enables real-time processing, high detection robustness, small chip-core area as well as low power consumption for multi-scale object detection.

Complex three dimensional modelling of porous media using high performance computing and multi-scale incompressible approach

Science.gov (United States)

Martin, R.; Orgogozo, L.; Noiriel, C. N.; Guibert, R.; Golfier, F.; Debenest, G.; Quintard, M.

2013-05-01

In the context of biofilm growth in porous media, we developed high performance computing tools to study the impact of biofilms on the fluid transport through pores of a solid matrix. Indeed, biofilms are consortia of micro-organisms that are developing in polymeric extracellular substances that are generally located at a fluid-solid interfaces like pore interfaces in a water-saturated porous medium. Several applications of biofilms in porous media are encountered for instance in bio-remediation methods by allowing the dissolution of organic pollutants. Many theoretical studies have been done on the resulting effective properties of these modified media ([1],[2], [3]) but the bio-colonized porous media under consideration are mainly described following simplified theoretical media (stratified media, cubic networks of spheres ...). Therefore, recent experimental advances have provided tomography images of bio-colonized porous media which allow us to observe realistic biofilm micro-structures inside the porous media [4]. To solve closure system of equations related to upscaling procedures in realistic porous media, we solve the velocity field of fluids through pores on complex geometries that are described with a huge number of cells (up to billions). Calculations are made on a realistic 3D sample geometry obtained by X micro-tomography. Cell volumes are coming from a percolation experiment performed to estimate the impact of precipitation processes on the properties of a fluid transport phenomena in porous media [5]. Average permeabilities of the sample are obtained from velocities by using MPI-based high performance computing on up to 1000 processors. Steady state Stokes equations are solved using finite volume approach. Relaxation pre-conditioning is introduced to accelerate the code further. Good weak or strong scaling are reached with results obtained in hours instead of weeks. Factors of accelerations of 20 up to 40 can be reached. Tens of geometries can now be

Computational Methods for Inviscid and Viscous Two-and-Three-Dimensional Flow Fields.

Science.gov (United States)

1975-01-01

Difference Equations Over a Network, Watson Sei. Comput. Lab. Report, 19U9. 173- Isaacson, E. and Keller, H. B., Analaysis of Numerical Methods...element method has given a new impulse to the old mathematical theory of multivariate interpolation. We first study the one-dimensional case, which

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...

Generation of three-dimensional prototype models based on cone beam computed tomography

Energy Technology Data Exchange (ETDEWEB)

Lambrecht, J.T.; Berndt, D.C.; Zehnder, M. [University of Basel, Department of Oral Surgery, University Hospital for Oral Surgery, Oral Radiology and Oral Medicine, Basel (Switzerland); Schumacher, R. [University of Applied Sciences Northwestern Switzerland, School of Life Sciences, Institute for Medical and Analytical Technologies, Muttenz (Switzerland)

2009-03-15

The purpose of this study was to generate three-dimensional models based on digital volumetric data that can be used in basic and advanced education. Four sets of digital volumetric data were established by cone beam computed tomography (CBCT) (Accuitomo, J. Morita, Kyoto, Japan). Datasets were exported as Dicom formats and imported into Mimics and Magic software programs to separate the different tissues such as nerve, tooth and bone. These data were transferred to a Polyjet 3D Printing machine (Eden 330, Object, Israel) to generate the models. Three-dimensional prototype models of certain limited anatomical structures as acquired volumetrically were fabricated. Generating three-dimensional models based on CBCT datasets is possible. Automated routine fabrication of these models, with the given infrastructure, is too time-consuming and therefore too expensive. (orig.)

Generation of three-dimensional prototype models based on cone beam computed tomography

International Nuclear Information System (INIS)

Lambrecht, J.T.; Berndt, D.C.; Zehnder, M.; Schumacher, R.

2009-01-01

The purpose of this study was to generate three-dimensional models based on digital volumetric data that can be used in basic and advanced education. Four sets of digital volumetric data were established by cone beam computed tomography (CBCT) (Accuitomo, J. Morita, Kyoto, Japan). Datasets were exported as Dicom formats and imported into Mimics and Magic software programs to separate the different tissues such as nerve, tooth and bone. These data were transferred to a Polyjet 3D Printing machine (Eden 330, Object, Israel) to generate the models. Three-dimensional prototype models of certain limited anatomical structures as acquired volumetrically were fabricated. Generating three-dimensional models based on CBCT datasets is possible. Automated routine fabrication of these models, with the given infrastructure, is too time-consuming and therefore too expensive. (orig.)

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

Transitions of the Multi-Scale Singularity Trees

DEFF Research Database (Denmark)

Somchaipeng, Kerawit; Sporring, Jon; Kreiborg, Sven

2005-01-01

Multi-Scale Singularity Trees(MSSTs) [10] are multi-scale image descriptors aimed at representing the deep structures of images. Changes in images are directly translated to changes in the deep structures; therefore transitions in MSSTs. Because MSSTs can be used to represent the deep structure...

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....

OBJECT-ORIENTED CHANGE DETECTION BASED ON MULTI-SCALE APPROACH

Directory of Open Access Journals (Sweden)

Y. Jia

2016-06-01

Full Text Available The change detection of remote sensing images means analysing the change information quantitatively and recognizing the change types of the surface coverage data in different time phases. With the appearance of high resolution remote sensing image, object-oriented change detection method arises at this historic moment. In this paper, we research multi-scale approach for high resolution images, which includes multi-scale segmentation, multi-scale feature selection and multi-scale classification. Experimental results show that this method has a stronger advantage than the traditional single-scale method of high resolution remote sensing image change detection.

Three-dimensional analysis and classification of arteries in the skin and subcutaneous adipofascial tissue by computer graphics imaging.

Science.gov (United States)

Nakajima, H; Minabe, T; Imanishi, N

1998-09-01

To develop new types of surgical flaps that utilize portions of the skin and subcutaneous tissue (e.g., a thin flap or an adipofascial flap), three-dimensional investigation of the vasculature in the skin and subcutaneous tissue has been anticipated. In the present study, total-body arterial injection and three-dimensional imaging of the arteries by computer graphics were performed. The full-thickness skin and subcutaneous adipofascial tissue samples, which were obtained from fresh human cadavers injected with radio-opaque medium, were divided into three distinct layers. Angiograms of each layer were introduced into a personal computer to construct three-dimensional images. On a computer monitor, each artery was shown color-coded according to the three portions: the deep adipofascial layer, superficial adipofascial layer, and dermis. Three-dimensional computerized images of each artery in the skin and subcutaneous tissue revealed the components of each vascular plexus and permitted their classification into six types. The distribution of types in the body correlated with the tissue mobility of each area. Clinically, appreciation of the three-dimensional structure of the arteries allowed the development of several new kinds of flaps.

Dimensionally Specific Capture of Attention: Implications for Saliency Computation

Directory of Open Access Journals (Sweden)

Katherine E. Burnett

2018-02-01

Full Text Available Observers automatically orient to a sudden change in the environment. This is demonstrated experimentally using exogenous cues, which prioritize the analysis of subsequent targets appearing nearby. This effect has been attributed to the computation of saliency, obtained by combining features specific signals, which then feed back to drive attention to the salient location. An alternative possibility is that cueing directly effects target-evoked sensory responses in a feed-forward manner. We examined the effects of luminance and equiluminant color cues in a dual task paradigm, which required both a motion and a color discrimination. Equiluminant color cues improved color discrimination more than luminance cues, but luminance cues improved motion discrimination more than equiluminant color cues. This suggests that the effects of exogenous cues are dimensionally specific and may not depend entirely on the computation of a dimension general saliency signal.

Effect of Mesoscale and Multiscale Modeling on the Performance of Kevlar Woven Fabric Subjected to Ballistic Impact: A Numerical Study

Science.gov (United States)

Jia, Xin; Huang, Zhengxiang; Zu, Xudong; Gu, Xiaohui; Xiao, Qiangqiang

2013-12-01

In this study, an optimal finite element model of Kevlar woven fabric that is more computational efficient compared with existing models was developed to simulate ballistic impact onto fabric. Kevlar woven fabric was modeled to yarn level architecture by using the hybrid elements analysis (HEA), which uses solid elements in modeling the yarns at the impact region and uses shell elements in modeling the yarns away from the impact region. Three HEA configurations were constructed, in which the solid element region was set as about one, two, and three times that of the projectile's diameter with impact velocities of 30 m/s (non-perforation case) and 200 m/s (perforation case) to determine the optimal ratio between the solid element region and the shell element region. To further reduce computational time and to maintain the necessary accuracy, three multiscale models were presented also. These multiscale models combine the local region with the yarn level architecture by using the HEA approach and the global region with homogenous level architecture. The effect of the varying ratios of the local and global area on the ballistic performance of fabric was discussed. The deformation and damage mechanisms of fabric were analyzed and compared among numerical models. Simulation results indicate that the multiscale model based on HEA accurately reproduces the baseline results and obviously decreases computational time.

From the direct numerical simulation to system codes-perspective for the multi-scale analysis of LWR thermal hydraulics

International Nuclear Information System (INIS)

Bestion, D.

2010-01-01

A multi-scale analysis of water-cooled reactor thermal hydraulics can be used to take advantage of increased computer power and improved simulation tools, including Direct Numerical Simulation (DNS), Computational Fluid Dynamics (CFD) (in both open and porous mediums), and system thermalhydraulic codes. This paper presents a general strategy for this procedure for various thermalhydraulic scales. A short state of the art is given for each scale, and the role of the scale in the overall multi-scale analysis process is defined. System thermalhydraulic codes will remain a privileged tool for many investigations related to safety. CFD in porous medium is already being frequently used for core thermal hydraulics, either in 3D modules of system codes or in component codes. CFD in open medium allows zooming on some reactor components in specific situations, and may be coupled to the system and component scales. Various modeling approaches exist in the domain from DNS to CFD which may be used to improve the understanding of flow processes, and as a basis for developing more physically based models for macroscopic tools. A few examples are given to illustrate the multi-scale approach. Perspectives for the future are drawn from the present state of the art and directions for future research and development are given

Classification of integrable two-dimensional models of relativistic field theory by means of computer

International Nuclear Information System (INIS)

Getmanov, B.S.

1988-01-01

The results of classification of two-dimensional relativistic field models (1) spinor; (2) essentially-nonlinear scalar) possessing higher conservation laws using the system of symbolic computer calculations are presented shortly

Three-dimensional computer graphics for surgical procedure learning: Web three-dimensional application for cleft lip repair.

Science.gov (United States)

Kobayashi, Masahiro; Nakajima, Tatsuo; Mori, Ayako; Tanaka, Daigo; Fujino, Toyomi; Chiyokura, Hiroaki

2006-05-01

In surgical procedures for cleft lip, surgeons attempt to use various skin incisions and small flaps to achieve a better and more natural shape postoperatively. They must understand the three-dimensional (3D) structure of the lips. However, they may have difficulty learning the surgical procedures precisely from normal textbooks with two-dimensional illustrations. Recent developments in 3D computed tomography (3D-CT) and laser stereolithography have enabled surgeons to visualize the structures of cleft lips from desired viewpoints. However, this method cannot reflect the advantages offered by specific surgical procedures. To solve this problem, we used the benefits offered by 3D computer graphics (3D-CG) and 3D animation. By using scanning 3D-CT image data of patients with cleft lips, 3D-CG models of the cleft lips were created. Several animations for surgical procedures such as incision designs, rotation of small skin flaps, and sutures were made. This system can recognize the details of an operation procedure clearly from any viewpoint, which cannot be acquired from the usual textbook illustrations. This animation system can be used for developing new skin-flap design, understanding the operational procedure, and using tools in case presentations. The 3D animations can also be uploaded to the World Wide Web for use in teleconferencing.

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.

Hierarchical Decompositions for the Computation of High-Dimensional Multivariate Normal Probabilities

KAUST Repository

Genton, Marc G.

2017-09-07

We present a hierarchical decomposition scheme for computing the n-dimensional integral of multivariate normal probabilities that appear frequently in statistics. The scheme exploits the fact that the formally dense covariance matrix can be approximated by a matrix with a hierarchical low rank structure. It allows the reduction of the computational complexity per Monte Carlo sample from O(n2) to O(mn+knlog(n/m)), where k is the numerical rank of off-diagonal matrix blocks and m is the size of small diagonal blocks in the matrix that are not well-approximated by low rank factorizations and treated as dense submatrices. This hierarchical decomposition leads to substantial efficiencies in multivariate normal probability computations and allows integrations in thousands of dimensions to be practical on modern workstations.

Hierarchical Decompositions for the Computation of High-Dimensional Multivariate Normal Probabilities

KAUST Repository

Genton, Marc G.; Keyes, David E.; Turkiyyah, George

2017-01-01

We present a hierarchical decomposition scheme for computing the n-dimensional integral of multivariate normal probabilities that appear frequently in statistics. The scheme exploits the fact that the formally dense covariance matrix can be approximated by a matrix with a hierarchical low rank structure. It allows the reduction of the computational complexity per Monte Carlo sample from O(n2) to O(mn+knlog(n/m)), where k is the numerical rank of off-diagonal matrix blocks and m is the size of small diagonal blocks in the matrix that are not well-approximated by low rank factorizations and treated as dense submatrices. This hierarchical decomposition leads to substantial efficiencies in multivariate normal probability computations and allows integrations in thousands of dimensions to be practical on modern workstations.

VNAP2: a computer program for computation of two-dimensional, time-dependent, compressible, turbulent flow

Energy Technology Data Exchange (ETDEWEB)

Cline, M.C.

1981-08-01

VNAP2 is a computer program for calculating turbulent (as well as laminar and inviscid), steady, and unsteady flow. VNAP2 solves the two-dimensional, time-dependent, compressible Navier-Stokes equations. The turbulence is modeled with either an algebraic mixing-length model, a one-equation model, or the Jones-Launder two-equation model. The geometry may be a single- or a dual-flowing stream. The interior grid points are computed using the unsplit MacCormack scheme. Two options to speed up the calculations for high Reynolds number flows are included. The boundary grid points are computed using a reference-plane-characteristic scheme with the viscous terms treated as source functions. An explicit artificial viscosity is included for shock computations. The fluid is assumed to be a perfect gas. The flow boundaries may be arbitrary curved solid walls, inflow/outflow boundaries, or free-jet envelopes. Typical problems that can be solved concern nozzles, inlets, jet-powered afterbodies, airfoils, and free-jet expansions. The accuracy and efficiency of the program are shown by calculations of several inviscid and turbulent flows. The program and its use are described completely, and six sample cases and a code listing are included.

STEADY-SHIP: a computer code for three-dimensional nuclear and thermal-hydraulic analyses of marine reactors

International Nuclear Information System (INIS)

Itagaki, Masafumi; Naito, Yoshitaka; Tokuno, Yukio; Matsui, Yasushi.

1988-01-01

A code STEADY-SHIP has been developed to calculate three-dimensional distributions of neutron flux, power and coolant temperature in the reactor core of the nuclear ship MUTSU. The code consists of two parts, that is, a few-group three-dimensional neutron diffusion module DIFFUSION-SHIP and a thermal-hydraulic module HYDRO-SHIP: In the DIFFUSION-SHIP the leakage iteration method is used for solving the three-dimensional neutron diffusion equation with small computer core memory and short computing time; The HYDRO-SHIP performs the general thermal-hydraulic calculation for evaluating feedbacks required in the neutronic calculation by the DIFFUSION-SHIP. The macroscopic nuclear constants are generated by a module CROSS-SHIP as functions of xenon poison, fuel temperature, moderator temperature and moderator density. A module LOCAL-FINE has the capability of computing a detailed rod power distribution for each local node in the core, using the boundary conditions on the surface of the node which were supplied by the STEADY-SHIP whole-core calculation. The applicability of this code to marine reactors has been demonstrated by comparing the computed results with the data measured during the MUTSU land-loaded core critical experiments and with the data obtained during the hot-zero-power tests performed for the actual MUTSU plant. (author)

MesoBioNano Explorer-A Universal Program for Multiscale Computer Simulations of Complex Molecular Structure and Dynamics

DEFF Research Database (Denmark)

Solov'yov, Ilia; Yakubovich, Alexander V.; Nikolaev, Pavel V.

2012-01-01

it significantly different from the existing codes, is its universality and applicability to the description of a broad range of problems involving different molecular systems. Most of the existing codes are developed for particular classes of molecular systems and do not permit multiscale approach while MBN...

Computer simulation of the martensite transformation in a model two-dimensional body

International Nuclear Information System (INIS)

Chen, S.; Khachaturyan, A.G.; Morris, J.W. Jr.

1979-05-01

An analytical model of a martensitic transformation in an idealized body is constructed and used to carry out a computer simulation of the transformation in a pseudo-two-dimensional crystal. The reaction is assumed to proceed through the sequential transformation of elementary volumes (elementary martensitic particles, EMP) via the Bain strain. The elastic interaction between these volumes is computed and the transformation path chosen so as to minimize the total free energy. The model transformation shows interesting qualitative correspondencies with the known features of martensitic transformations in typical solids

Computer simulation of the martensite transformation in a model two-dimensional body

International Nuclear Information System (INIS)

Chen, S.; Khachaturyan, A.G.; Morris, J.W. Jr.

1979-06-01

An analytical model of a martensitic transformation in an idealized body is constructed and used to carry out a computer simulation of the transformation in a pseudo-two-dimensional crystal. The reaction is assumed to proceed through the sequential transformation of elementary volumes (elementary martensitic particles, EMP) via the Bain strain. The elastic interaction between these volumes is computed and the transformation path chosen so as to minimize the total free energy. The model transformation shows interesting qualitative correspondencies with the known features of martensitic transformations in typical solids

Collaborative Simulation Grid: Multiscale Quantum-Mechanical/Classical Atomistic Simulations on Distributed PC Clusters in the US and Japan

Science.gov (United States)

Kikuchi, Hideaki; Kalia, Rajiv; Nakano, Aiichiro; Vashishta, Priya; Iyetomi, Hiroshi; Ogata, Shuji; Kouno, Takahisa; Shimojo, Fuyuki; Tsuruta, Kanji; Saini, Subhash;

On the Computation of Degenerate Hopf Bifurcations for n-Dimensional Multiparameter Vector Fields

Directory of Open Access Journals (Sweden)

Michail P. Markakis

2016-01-01

Full Text Available The restriction of an n-dimensional nonlinear parametric system on the center manifold is treated via a new proper symbolic form and analytical expressions of the involved quantities are obtained as functions of the parameters by lengthy algebraic manipulations combined with computer assisted calculations. Normal forms regarding degenerate Hopf bifurcations up to codimension 3, as well as the corresponding Lyapunov coefficients and bifurcation portraits, can be easily computed for any system under consideration.

What is at stake in multi-scale approaches

International Nuclear Information System (INIS)

Jamet, Didier

2008-01-01

Full text of publication follows: Multi-scale approaches amount to analyzing physical phenomena at small space and time scales in order to model their effects at larger scales. This approach is very general in physics and engineering; one of the best examples of success of this approach is certainly statistical physics that allows to recover classical thermodynamics and to determine the limits of application of classical thermodynamics. Getting access to small scale information aims at reducing the models' uncertainty but it has a cost: fine scale models may be more complex than larger scale models and their resolution may require the development of specific and possibly expensive methods, numerical simulation techniques and experiments. For instance, in applications related to nuclear engineering, the application of computational fluid dynamics instead of cruder models is a formidable engineering challenge because it requires resorting to high performance computing. Likewise, in two-phase flow modeling, the techniques of direct numerical simulation, where all the interfaces are tracked individually and where all turbulence scales are captured, are getting mature enough to be considered for averaged modeling purposes. However, resolving small scale problems is a necessary step but it is not sufficient in a multi-scale approach. An important modeling challenge is to determine how to treat small scale data in order to get relevant information for larger scale models. For some applications, such as single-phase turbulence or transfers in porous media, this up-scaling approach is known and is now used rather routinely. However, in two-phase flow modeling, the up-scaling approach is not as mature and specific issues must be addressed that raise fundamental questions. This will be discussed and illustrated. (author)

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.

Computational models of stellar collapse and core-collapse supernovae

International Nuclear Information System (INIS)

Ott, Christian D; O'Connor, Evan; Schnetter, Erik; Loeffler, Frank; Burrows, Adam; Livne, Eli

2009-01-01

Core-collapse supernovae are among Nature's most energetic events. They mark the end of massive star evolution and pollute the interstellar medium with the life-enabling ashes of thermonuclear burning. Despite their importance for the evolution of galaxies and life in the universe, the details of the core-collapse supernova explosion mechanism remain in the dark and pose a daunting computational challenge. We outline the multi-dimensional, multi-scale, and multi-physics nature of the core-collapse supernova problem and discuss computational strategies and requirements for its solution. Specifically, we highlight the axisymmetric (2D) radiation-MHD code VULCAN/2D and present results obtained from the first full-2D angle-dependent neutrino radiation-hydrodynamics simulations of the post-core-bounce supernova evolution. We then go on to discuss the new code Zelmani which is based on the open-source HPC Cactus framework and provides a scalable AMR approach for 3D fully general-relativistic modeling of stellar collapse, core-collapse supernovae and black hole formation on current and future massively-parallel HPC systems. We show Zelmani's scaling properties to more than 16,000 compute cores and discuss first 3D general-relativistic core-collapse results.

Concrete Image Segmentation Based on Multiscale Mathematic Morphology Operators and Otsu Method

Directory of Open Access Journals (Sweden)

Sheng-Bo Zhou

2015-01-01

Full Text Available The aim of the current study lies in the development of a reformative technique of image segmentation for Computed Tomography (CT concrete images with the strength grades of C30 and C40. The results, through the comparison of the traditional threshold algorithms, indicate that three threshold algorithms and five edge detectors fail to meet the demand of segmentation for Computed Tomography concrete images. The paper proposes a new segmentation method, by combining multiscale noise suppression morphology edge detector with Otsu method, which is more appropriate for the segmentation of Computed Tomography concrete images with low contrast. This method cannot only locate the boundaries between objects and background with high accuracy, but also obtain a complete edge and eliminate noise.

Multi-Scale Scattering Transform in Music Similarity Measuring

Science.gov (United States)

Wang, Ruobai

Scattering transform is a Mel-frequency spectrum based, time-deformation stable method, which can be used in evaluating music similarity. Compared with Dynamic time warping, it has better performance in detecting similar audio signals under local time-frequency deformation. Multi-scale scattering means to combine scattering transforms of different window lengths. This paper argues that, multi-scale scattering transform is a good alternative of dynamic time warping in music similarity measuring. We tested the performance of multi-scale scattering transform against other popular methods, with data designed to represent different conditions.

FLICA-4 (version 1) a computer code for three dimensional thermal analysis of nuclear reactor cores

International Nuclear Information System (INIS)

Raymond, P.; Allaire, G.; Boudsocq, G.

1995-01-01

FLICA-4 is a thermal-hydraulic computer code developed at the French Energy Atomic Commission (CEA) for three dimensional steady state or transient two phase flow for design and safety thermal analysis of nuclear reactor cores. The two phase flow model of FLICA-4 is based on four balance equations for the fluid which includes: three balance equations for the mixture and a mass balance equation for the less concentrated phase which permits the calculation of non-equilibrium flows as sub cooled boiling and superheated steam. A drift velocity model takes into account the velocity disequilibrium between phases. The thermal behaviour of fuel elements can be computed by a one dimensional heat conduction equation in plane, cylindrical or spherical geometries and coupled to the fluid flow calculation. Convection and diffusion of solution products which are transported either by the liquid or by the gas, can be evaluated by solving specific mass conservation equations. A one dimensional two phase flow model can also be used to compute 1-D flow in pipes, guide tubes, BWR assemblies or RBMK channels. The FLICA-4 computer code uses fast running time steam-water functions. Phasic and saturation physical properties are computed by using bi-cubic spline functions. Polynomial coefficients are tabulated from 0.1 to 22 MPa and 0 to 800 degrees C. Specific modules can be utilised in order to generate the spline coefficients for any other fluid 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

Homogenization-based interval analysis for structural-acoustic problem involving periodical composites and multi-scale uncertain-but-bounded parameters.

Science.gov (United States)

Chen, Ning; Yu, Dejie; Xia, Baizhan; Liu, Jian; Ma, Zhengdong

2017-04-01

This paper presents a homogenization-based interval analysis method for the prediction of coupled structural-acoustic systems involving periodical composites and multi-scale uncertain-but-bounded parameters. In the structural-acoustic system, the macro plate structure is assumed to be composed of a periodically uniform microstructure. The equivalent macro material properties of the microstructure are computed using the homogenization method. By integrating the first-order Taylor expansion interval analysis method with the homogenization-based finite element method, a homogenization-based interval finite element method (HIFEM) is developed to solve a periodical composite structural-acoustic system with multi-scale uncertain-but-bounded parameters. The corresponding formulations of the HIFEM are deduced. A subinterval technique is also introduced into the HIFEM for higher accuracy. Numerical examples of a hexahedral box and an automobile passenger compartment are given to demonstrate the efficiency of the presented method for a periodical composite structural-acoustic system with multi-scale uncertain-but-bounded parameters.

A general multiscale framework for the emergent effective elastodynamics of metamaterials

Science.gov (United States)

Sridhar, A.; Kouznetsova, V. G.; Geers, M. G. D.

2018-02-01

This paper presents a general multiscale framework towards the computation of the emergent effective elastodynamics of heterogeneous materials, to be applied for the analysis of acoustic metamaterials and phononic crystals. The generality of the framework is exemplified by two key characteristics. First, the underlying formalism relies on the Floquet-Bloch theorem to derive a robust definition of scales and scale separation. Second, unlike most homogenization approaches that rely on a classical volume average, a generalized homogenization operator is defined with respect to a family of particular projection functions. This yields a generalized macro-scale continuum, instead of the classical Cauchy continuum. This enables (in a micromorphic sense) to homogenize the rich dispersive behavior resulting from both Bragg scattering and local resonance. For an arbitrary unit cell, the homogenization projection functions are constructed using the Floquet-Bloch eigenvectors obtained in the desired frequency regime at select high symmetry points, which effectively resolves the emergent phenomena dominating that regime. Furthermore, a generalized Hill-Mandel condition is proposed that ensures power consistency between the homogenized and full-scale model. A high-order spatio-temporal gradient expansion is used to localize the multiscale problem leading to a series of recursive unit cell problems giving the appropriate micro-mechanical corrections. The developed multiscale method is validated against standard numerical Bloch analysis of the dispersion spectra of example unit cells encompassing multiple high-order branches generated by local resonance and/or Bragg scattering.

Effect of Novel Amplitude/Phase Binning Algorithm on Commercial Four-Dimensional Computed Tomography Quality

International Nuclear Information System (INIS)

Olsen, Jeffrey R.; Lu Wei; Hubenschmidt, James P.; Nystrom, Michelle M.; Klahr, Paul; Bradley, Jeffrey D.; Low, Daniel A.; Parikh, Parag J.

2008-01-01

Purpose: Respiratory motion is a significant source of anatomic uncertainty in radiotherapy planning and can result in errors of portal size and the subsequent radiation dose. Although four-dimensional computed tomography allows for more accurate analysis of the respiratory cycle, breathing irregularities during data acquisition can cause considerable image distortions. The aim of this study was to examine the effect of respiratory irregularities on four-dimensional computed tomography, and to evaluate a novel image reconstruction algorithm using percentile-based tagging of the respiratory cycle. Methods and Materials: Respiratory-correlated helical computed tomography scans were acquired for 11 consecutive patients. The inspiration and expiration data sets were reconstructed using the default phase-based method, as well as a novel respiration percentile-based method with patient-specific metrics to define the ranges of the reconstruction. The image output was analyzed in a blinded fashion for the phase- and percentile-based reconstructions to determine the prevalence and severity of the image artifacts. Results: The percentile-based algorithm resulted in a significant reduction in artifact severity compared with the phase-based algorithm, although the overall artifact prevalence did not differ between the two algorithms. The magnitude of differences in respiratory tag placement between the phase- and percentile-based algorithms correlated with the presence of image artifacts. Conclusion: The results of our study have indicated that our novel four-dimensional computed tomography reconstruction method could be useful in detecting clinically relevant image distortions that might otherwise go unnoticed and to reduce the image distortion associated with some respiratory irregularities. Additional work is necessary to assess the clinical impact on areas of possible irregular breathing

Multiscale Support Vector Learning With Projection Operator Wavelet Kernel for Nonlinear Dynamical System Identification.

Science.gov (United States)

Lu, Zhao; Sun, Jing; Butts, Kenneth

2016-02-03

A giant leap has been made in the past couple of decades with the introduction of kernel-based learning as a mainstay for designing effective nonlinear computational learning algorithms. In view of the geometric interpretation of conditional expectation and the ubiquity of multiscale characteristics in highly complex nonlinear dynamic systems [1]-[3], this paper presents a new orthogonal projection operator wavelet kernel, aiming at developing an efficient computational learning approach for nonlinear dynamical system identification. In the framework of multiresolution analysis, the proposed projection operator wavelet kernel can fulfill the multiscale, multidimensional learning to estimate complex dependencies. The special advantage of the projection operator wavelet kernel developed in this paper lies in the fact that it has a closed-form expression, which greatly facilitates its application in kernel learning. To the best of our knowledge, it is the first closed-form orthogonal projection wavelet kernel reported in the literature. It provides a link between grid-based wavelets and mesh-free kernel-based methods. Simulation studies for identifying the parallel models of two benchmark nonlinear dynamical systems confirm its superiority in model accuracy and sparsity.

Multivariate Multi-Scale Permutation Entropy for Complexity Analysis of Alzheimer’s Disease EEG

Directory of Open Access Journals (Sweden)

Isabella Palamara

2012-07-01

Full Text Available An original multivariate multi-scale methodology for assessing the complexity of physiological signals is proposed. The technique is able to incorporate the simultaneous analysis of multi-channel data as a unique block within a multi-scale framework. The basic complexity measure is done by using Permutation Entropy, a methodology for time series processing based on ordinal analysis. Permutation Entropy is conceptually simple, structurally robust to noise and artifacts, computationally very fast, which is relevant for designing portable diagnostics. Since time series derived from biological systems show structures on multiple spatial-temporal scales, the proposed technique can be useful for other types of biomedical signal analysis. In this work, the possibility of distinguish among the brain states related to Alzheimer’s disease patients and Mild Cognitive Impaired subjects from normal healthy elderly is checked on a real, although quite limited, experimental database.

A three-dimensional magnetostatics computer code for insertion devices

International Nuclear Information System (INIS)

Chubar, O.; Elleaume, P.; Chavanne, J.

1998-01-01

RADIA is a three-dimensional magnetostatics computer code optimized for the design of undulators and wigglers. It solves boundary magnetostatics problems with magnetized and current-carrying volumes using the boundary integral approach. The magnetized volumes can be arbitrary polyhedrons with non-linear (iron) or linear anisotropic (permanent magnet) characteristics. The current-carrying elements can be straight or curved blocks with rectangular cross sections. Boundary conditions are simulated by the technique of mirroring. Analytical formulae used for the computation of the field produced by a magnetized volume of a polyhedron shape are detailed. The RADIA code is written in object-oriented C++ and interfaced to Mathematica (Mathematica is a registered trademark of Wolfram Research, Inc.). The code outperforms currently available finite-element packages with respect to the CPU time of the solver and accuracy of the field integral estimations. An application of the code to the case of a wedge-pole undulator is presented

Simple prescription for computing the interparticle potential energy for D-dimensional gravity systems

International Nuclear Information System (INIS)

Accioly, Antonio; Helayël-Neto, José; Barone, F E; Herdy, Wallace

2015-01-01

A straightforward prescription for computing the D-dimensional potential energy of gravitational models, which is strongly based on the Feynman path integral, is built up. Using this method, the static potential energy for the interaction of two masses is found in the context of D-dimensional higher-derivative gravity models, and its behavior is analyzed afterwards in both ultraviolet and infrared regimes. As a consequence, two new gravity systems in which the potential energy is finite at the origin, respectively, in D = 5 and D = 6, are found. Since the aforementioned prescription is equivalent to that based on the marriage between quantum mechanics (to leading order, i.e., in the first Born approximation) and the nonrelativistic limit of quantum field theory, and bearing in mind that the latter relies basically on the calculation of the nonrelativistic Feynman amplitude (M NR ), a trivial expression for computing M NR is obtained from our prescription as an added bonus. (paper)

Wavelet-based multiscale adjoint waveform-difference tomography using body and surface waves

Science.gov (United States)

Yuan, Y. O.; Simons, F. J.; Bozdag, E.

2014-12-01

We present a multi-scale scheme for full elastic waveform-difference inversion. Using a wavelet transform proves to be a key factor to mitigate cycle-skipping effects. We start with coarse representations of the seismogram to correct a large-scale background model, and subsequently explain the residuals in the fine scales of the seismogram to map the heterogeneities with great complexity. We have previously applied the multi-scale approach successfully to body waves generated in a standard model from the exploration industry: a modified two-dimensional elastic Marmousi model. With this model we explored the optimal choice of wavelet family, number of vanishing moments and decomposition depth. For this presentation we explore the sensitivity of surface waves in waveform-difference tomography. The incorporation of surface waves is rife with cycle-skipping problems compared to the inversions considering body waves only. We implemented an envelope-based objective function probed via a multi-scale wavelet analysis to measure the distance between predicted and target surface-wave waveforms in a synthetic model of heterogeneous near-surface structure. Our proposed method successfully purges the local minima present in the waveform-difference misfit surface. An elastic shallow model with 100~m in depth is used to test the surface-wave inversion scheme. We also analyzed the sensitivities of surface waves and body waves in full waveform inversions, as well as the effects of incorrect density information on elastic parameter inversions. Based on those numerical experiments, we ultimately formalized a flexible scheme to consider both body and surface waves in adjoint tomography. While our early examples are constructed from exploration-style settings, our procedure will be very valuable for the study of global network data.

Binding Direction-Based Two-Dimensional Flattened Contact Area Computing Algorithm for Protein-Protein Interactions.

Science.gov (United States)

Kang, Beom Sik; Pugalendhi, GaneshKumar; Kim, Ku-Jin

2017-10-13

Interactions between protein molecules are essential for the assembly, function, and regulation of proteins. The contact region between two protein molecules in a protein complex is usually complementary in shape for both molecules and the area of the contact region can be used to estimate the binding strength between two molecules. Although the area is a value calculated from the three-dimensional surface, it cannot represent the three-dimensional shape of the surface. Therefore, we propose an original concept of two-dimensional contact area which provides further information such as the ruggedness of the contact region. We present a novel algorithm for calculating the binding direction between two molecules in a protein complex, and then suggest a method to compute the two-dimensional flattened area of the contact region between two molecules based on the binding direction.

Binding Direction-Based Two-Dimensional Flattened Contact Area Computing Algorithm for Protein–Protein Interactions

Directory of Open Access Journals (Sweden)

Beom Sik Kang

2017-10-01

Full Text Available Interactions between protein molecules are essential for the assembly, function, and regulation of proteins. The contact region between two protein molecules in a protein complex is usually complementary in shape for both molecules and the area of the contact region can be used to estimate the binding strength between two molecules. Although the area is a value calculated from the three-dimensional surface, it cannot represent the three-dimensional shape of the surface. Therefore, we propose an original concept of two-dimensional contact area which provides further information such as the ruggedness of the contact region. We present a novel algorithm for calculating the binding direction between two molecules in a protein complex, and then suggest a method to compute the two-dimensional flattened area of the contact region between two molecules based on the binding direction.

2D deblending using the multi-scale shaping scheme

Science.gov (United States)

Li, Qun; Ban, Xingan; Gong, Renbin; Li, Jinnuo; Ge, Qiang; Zu, Shaohuan

2018-01-01

Deblending can be posed as an inversion problem, which is ill-posed and requires constraint to obtain unique and stable solution. In blended record, signal is coherent, whereas interference is incoherent in some domains (e.g., common receiver domain and common offset domain). Due to the different sparsity, coefficients of signal and interference locate in different curvelet scale domains and have different amplitudes. Take into account the two differences, we propose a 2D multi-scale shaping scheme to constrain the sparsity to separate the blended record. In the domain where signal concentrates, the multi-scale scheme passes all the coefficients representing signal, while, in the domain where interference focuses, the multi-scale scheme suppresses the coefficients representing interference. Because the interference is suppressed evidently at each iteration, the constraint of multi-scale shaping operator in all scale domains are weak to guarantee the convergence of algorithm. We evaluate the performance of the multi-scale shaping scheme and the traditional global shaping scheme by using two synthetic and one field data examples.

Computational engineering

CERN Document Server

2014-01-01

The book presents state-of-the-art works in computational engineering. Focus is on mathematical modeling, numerical simulation, experimental validation and visualization in engineering sciences. In particular, the following topics are presented: constitutive models and their implementation into finite element codes, numerical models in nonlinear elasto-dynamics including seismic excitations, multiphase models in structural engineering and multiscale models of materials systems, sensitivity and reliability analysis of engineering structures, the application of scientific computing in urban water management and hydraulic engineering, and the application of genetic algorithms for the registration of laser scanner point clouds.

Determination of midsagittal plane for evaluation of facial asymmetry using three-dimensional computed tomography

International Nuclear Information System (INIS)

Kim, Tae Young; Huh, Kyung Hoe; Choi, Soon Chul; Baik, Jee Seon; Park, Joo Young; Chae, Hwa Sung

2011-01-01

The aim of the present study was to investigate the disagreement of cephalometric analysis depending on the reference determination of midsagittal plane on three-dimensional computed tomography. A total of 102 young women with class III dentofacial deformity were evaluated using three-dimensional computed tomography. The cranial and facial midsagittal planes were defined and the amounts of jaw deviation were calculated. The amounts of jaw deviation were compared with paired t-test (2-tailed) and Bland-Altman plot was drawn. The landmark tracing were reproducible (r≥.978). The jaws relative to the cranial midsagittal plane were 10-17 times more significantly deviated than to the facial midsagittal plane (P<.001). Bland-Altman plot demonstrated that the differences between the amounts of jaw deviation from two midsagittal planes were not normally distributed versus the average of the amounts of jaw deviation from two midsagittal planes. The cephalometric analyses of facial asymmetry were significantly inconsistent depending on the reference determination of midsagittal plane. The reference for midsagittal plane should be carefully determined in three-dimensional cephalometric analysis of facial asymmetry of patients with class III dentofacial deformity.

Critical behavior of the contact process in a multiscale network

Science.gov (United States)

Ferreira, Silvio C.; Martins, Marcelo L.

2007-09-01

Inspired by dengue and yellow fever epidemics, we investigated the contact process (CP) in a multiscale network constituted by one-dimensional chains connected through a Barabási-Albert scale-free network. In addition to the CP dynamics inside the chains, the exchange of individuals between connected chains (travels) occurs at a constant rate. A finite epidemic threshold and an epidemic mean lifetime diverging exponentially in the subcritical phase, concomitantly with a power law divergence of the outbreak’s duration, were found. A generalized scaling function involving both regular and SF components was proposed for the quasistationary analysis and the associated critical exponents determined, demonstrating that the CP on this hybrid network and nonvanishing travel rates establishes a new universality class.

Multifractal analysis of three-dimensional histogram from color images

International Nuclear Information System (INIS)

Chauveau, Julien; Rousseau, David; Richard, Paul; Chapeau-Blondeau, Francois

2010-01-01

Natural images, especially color or multicomponent images, are complex information-carrying signals. To contribute to the characterization of this complexity, we investigate the possibility of multiscale organization in the colorimetric structure of natural images. This is realized by means of a multifractal analysis applied to the three-dimensional histogram from natural color images. The observed behaviors are confronted to those of reference models with known multifractal properties. We use for this purpose synthetic random images with trivial monofractal behavior, and multidimensional multiplicative cascades known for their actual multifractal behavior. The behaviors observed on natural images exhibit similarities with those of the multifractal multiplicative cascades and display the signature of elaborate multiscale organizations stemming from the histograms of natural color images. This type of characterization of colorimetric properties can be helpful to various tasks of digital image processing, as for instance modeling, classification, indexing.

Multi-scale method for the resolution of the neutronic kinetics equations

International Nuclear Information System (INIS)

Chauvet, St.

2008-10-01

In this PhD thesis and in order to improve the time/precision ratio of the numerical simulation calculations, we investigate multi-scale techniques for the resolution of the reactor kinetics equations. We choose to focus on the mixed dual diffusion approximation and the quasi-static methods. We introduce a space dependency for the amplitude function which only depends on the time variable in the standard quasi-static context. With this new factorization, we develop two mixed dual problems which can be solved with Cea's solver MINOS. An algorithm is implemented, performing the resolution of these problems defined on different scales (for time and space). We name this approach: the Local Quasi-Static method. We present here this new multi-scale approach and its implementation. The inherent details of amplitude and shape treatments are discussed and justified. Results and performances, compared to MINOS, are studied. They illustrate the improvement on the time/precision ratio for kinetics calculations. Furthermore, we open some new possibilities to parallelize computations with MINOS. For the future, we also introduce some improvement tracks with adaptive scales. (author)

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.

A computational model for three-dimensional jointed media with a single joint set

International Nuclear Information System (INIS)

Koteras, J.R.

1994-02-01

This report describes a three-dimensional model for jointed rock or other media with a single set of joints. The joint set consists of evenly spaced joint planes. The normal joint response is nonlinear elastic and is based on a rational polynomial. Joint shear stress is treated as being linear elastic in the shear stress versus slip displacement before attaining a critical stress level governed by a Mohr-Coulomb faction criterion. The three-dimensional model represents an extension of a two-dimensional, multi-joint model that has been in use for several years. Although most of the concepts in the two-dimensional model translate in a straightforward manner to three dimensions, the concept of slip on the joint planes becomes more complex in three dimensions. While slip in two dimensions can be treated as a scalar quantity, it must be treated as a vector in the joint plane in three dimensions. For the three-dimensional model proposed here, the slip direction is assumed to be the direction of maximum principal strain in the joint plane. Five test problems are presented to verify the correctness of the computational implementation of the model

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.

Challenges in computational materials science: Multiple scales, multi-physics and evolving discontinuities

NARCIS (Netherlands)

Borst, de R.

2008-01-01

Novel experimental possibilities together with improvements in computer hardware as well as new concepts in computational mathematics and mechanics in particular multiscale methods are now, in principle, making it possible to derive and compute phenomena and material parameters at a macroscopic

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 study on stochastic reconstructions of shale samples

Science.gov (United States)

Lili, J.; Lin, M.; Jiang, W. B.

2016-12-01

Shales are known to have multiscale pore systems, composed of macroscale fractures, micropores, and nanoscale pores within gas or oil-producing organic material. Also, shales are fissile and laminated, and the heterogeneity in horizontal is quite different from that in vertical. Stochastic reconstructions are extremely useful in situations where three-dimensional information is costly and time consuming. Thus the purpose of our paper is to reconstruct stochastically equiprobable 3D models containing information from several scales. In this paper, macroscale and microscale images of shale structure in the Lower Silurian Longmaxi are obtained by X-ray microtomography and nanoscale images are obtained by scanning electron microscopy. Each image is representative for all given scales and phases. Especially, the macroscale is four times coarser than the microscale, which in turn is four times lower in resolution than the nanoscale image. Secondly, the cross correlation-based simulation method (CCSIM) and the three-step sampling method are combined together to generate stochastic reconstructions for each scale. It is important to point out that the boundary points of pore and matrix are selected based on multiple-point connectivity function in the sampling process, and thus the characteristics of the reconstructed image can be controlled indirectly. Thirdly, all images with the same resolution are developed through downscaling and upscaling by interpolation, and then we merge multiscale categorical spatial data into a single 3D image with predefined resolution (the microscale image). 30 realizations using the given images and the proposed method are generated. The result reveals that the proposed method is capable of preserving the multiscale pore structure, both vertically and horizontally, which is necessary for accurate permeability prediction. The variogram curves and pore-size distribution for both original 3D sample and the generated 3D realizations are compared

Urban Flow and Pollutant Dispersion Simulation with Multi-scale coupling of Meteorological Model with Computational Fluid Dynamic Analysis

Science.gov (United States)

Liu, Yushi; Poh, Hee Joo

2014-11-01

The Computational Fluid Dynamics analysis has become increasingly important in modern urban planning in order to create highly livable city. This paper presents a multi-scale modeling methodology which couples Weather Research and Forecasting (WRF) Model with open source CFD simulation tool, OpenFOAM. This coupling enables the simulation of the wind flow and pollutant dispersion in urban built-up area with high resolution mesh. In this methodology meso-scale model WRF provides the boundary condition for the micro-scale CFD model OpenFOAM. The advantage is that the realistic weather condition is taken into account in the CFD simulation and complexity of building layout can be handled with ease by meshing utility of OpenFOAM. The result is validated against the Joint Urban 2003 Tracer Field Tests in Oklahoma City and there is reasonably good agreement between the CFD simulation and field observation. The coupling of WRF- OpenFOAM provide urban planners with reliable environmental modeling tool in actual urban built-up area; and it can be further extended with consideration of future weather conditions for the scenario studies on climate change impact.

Three dimensional analysis of coelacanth body structure by computer graphics and X-ray CT images

International Nuclear Information System (INIS)

Suzuki, Naoki; Hamada, Takashi.

1990-01-01

Three dimensional imaging processes were applied for the structural and functional analyses of the modern coelacanth (Latimeria chalumnae). Visualization of the obtained images is performed with computer graphics on the basis of serial images by an X-ray CT scanning method. Reconstruction of three dimensional images of the body structure of coelacanth using the volume rendering and surface rendering methods provides us various information about external and internal shapes of this exquisite fish. (author)

Multiscale Representations Phase II

National Research Council Canada - National Science Library

Bar-Yam, Yaneer

2004-01-01

.... Multiscale analysis provides an analytic tool that can be applied to evaluating force capabilities as well as the relevance of designs for technological innovations to support force structures and their modernization...

Solution of Poisson equations for 3-dimensional grid generations. [computations of a flow field over a thin delta wing

Science.gov (United States)

Fujii, K.

1983-01-01

A method for generating three dimensional, finite difference grids about complicated geometries by using Poisson equations is developed. The inhomogenous terms are automatically chosen such that orthogonality and spacing restrictions at the body surface are satisfied. Spherical variables are used to avoid the axis singularity, and an alternating-direction-implicit (ADI) solution scheme is used to accelerate the computations. Computed results are presented that show the capability of the method. Since most of the results presented have been used as grids for flow-field computations, this is indicative that the method is a useful tool for generating three-dimensional grids about complicated geometries.

Notch sensitivity of ductile metallic foams : A computational study

NARCIS (Netherlands)

Mangipudi, K. R.; Onck, P. R.

2011-01-01

The role of notches in the fracture strength of metal foams has been studied using a multiscale model based on a two-dimensional Voronoi representation of the cellular architecture. The effect of the crack length to the specimen width ratio on the net section strength of double edge notch (DEN)

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.

Multiscale Analysis of Time Irreversibility Based on Phase-Space Reconstruction and Horizontal Visibility Graph Approach

Science.gov (United States)

Zhang, Yongping; Shang, Pengjian; Xiong, Hui; Xia, Jianan

Time irreversibility is an important property of nonequilibrium dynamic systems. A visibility graph approach was recently proposed, and this approach is generally effective to measure time irreversibility of time series. However, its result may be unreliable when dealing with high-dimensional systems. In this work, we consider the joint concept of time irreversibility and adopt the phase-space reconstruction technique to improve this visibility graph approach. Compared with the previous approach, the improved approach gives a more accurate estimate for the irreversibility of time series, and is more effective to distinguish irreversible and reversible stochastic processes. We also use this approach to extract the multiscale irreversibility to account for the multiple inherent dynamics of time series. Finally, we apply the approach to detect the multiscale irreversibility of financial time series, and succeed to distinguish the time of financial crisis and the plateau. In addition, Asian stock indexes away from other indexes are clearly visible in higher time scales. Simulations and real data support the effectiveness of the improved approach when detecting time irreversibility.

Assessment of Normal Eyeball Protrusion Using Computed Tomographic Imaging and Three-Dimensional Reconstruction in Korean Adults.

Science.gov (United States)

Shin, Kang-Jae; Gil, Young-Chun; Lee, Shin-Hyo; Kim, Jeong-Nam; Yoo, Ja-Young; Kim, Soon-Heum; Choi, Hyun-Gon; Shin, Hyun Jin; Koh, Ki-Seok; Song, Wu-Chul

2017-01-01

The aim of the present study was to assess normal eyeball protrusion from the orbital rim using two- and three-dimensional images and demonstrate the better suitability of CT images for assessment of exophthalmos. The facial computed tomographic (CT) images of Korean adults were acquired in sagittal and transverse views. The CT images were used in reconstructing three-dimensional volume of faces using computer software. The protrusion distances from orbital rims and the diameters of eyeballs were measured in the two views of the CT image and three-dimensional volume of the face. Relative exophthalmometry was calculated by the difference in protrusion distance between the right and left sides. The eyeball protrusion was 4.9 and 12.5 mm in sagittal and transverse views, respectively. The protrusion distances were 2.9 mm in the three-dimensional volume of face. There were no significant differences between right and left sides in the degree of protrusion, and the difference was within 2 mm in more than 90% of the subjects. The results of the present study will provide reliable criteria for precise diagnosis and postoperative monitoring using CT imaging of diseases such as thyroid-associated ophthalmopathy and orbital tumors.

Three-dimensional digitizer (neuronavigator): new equipment for computed tomography-guided stereotaxic surgery.

Science.gov (United States)

Watanabe, E; Watanabe, T; Manaka, S; Mayanagi, Y; Takakura, K

1987-06-01

A new device was invented as an adjunct for computed tomography (CT)-guided stereotaxic or open neurosurgery. It is composed of a multijoint three-dimensional digitizer (sensor arm) and a microcomputer, which indicates the place of the sensor arm tip on preoperative CT images. Computed tomography scan is performed preoperatively with three markers placed on the nasion and ears. At surgery, after fixing the patient's head and the sensor arm, sampling of the standard points was done to translate the position of the tip of the sensor arm onto the CT images displayed on a computer screen. In this way positional data from conventional preoperative CT scan can be directly transferred into the surgical field. This system has the unique feature of introducing CT-guided stereotaxis into conventional open neurosurgery.

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.

Adaptive multiscale processing for contrast enhancement

Science.gov (United States)

Laine, Andrew F.; Song, Shuwu; Fan, Jian; Huda, Walter; Honeyman, Janice C.; Steinbach, Barbara G.

1993-07-01

This paper introduces a novel approach for accomplishing mammographic feature analysis through overcomplete multiresolution representations. We show that efficient representations may be identified from digital mammograms within a continuum of scale space and used to enhance features of importance to mammography. Choosing analyzing functions that are well localized in both space and frequency, results in a powerful methodology for image analysis. We describe methods of contrast enhancement based on two overcomplete (redundant) multiscale representations: (1) Dyadic wavelet transform (2) (phi) -transform. Mammograms are reconstructed from transform coefficients modified at one or more levels by non-linear, logarithmic and constant scale-space weight functions. Multiscale edges identified within distinct levels of transform space provide a local support for enhancement throughout each decomposition. We demonstrate that features extracted from wavelet spaces can provide an adaptive mechanism for accomplishing local contrast enhancement. We suggest that multiscale detection and local enhancement of singularities may be effectively employed for the visualization of breast pathology without excessive noise amplification.

A multi-scale computational model of the effects of TMS on motor cortex [version 3; referees: 2 approved

Directory of Open Access Journals (Sweden)

Hyeon Seo

2017-05-01

Full Text Available The detailed biophysical mechanisms through which transcranial magnetic stimulation (TMS activates cortical circuits are still not fully understood. Here we present a multi-scale computational model to describe and explain the activation of different pyramidal cell types in motor cortex due to TMS. Our model determines precise electric fields based on an individual head model derived from magnetic resonance imaging and calculates how these electric fields activate morphologically detailed models of different neuron types. We predict neural activation patterns for different coil orientations consistent with experimental findings. Beyond this, our model allows us to calculate activation thresholds for individual neurons and precise initiation sites of individual action potentials on the neurons’ complex morphologies. Specifically, our model predicts that cortical layer 3 pyramidal neurons are generally easier to stimulate than layer 5 pyramidal neurons, thereby explaining the lower stimulation thresholds observed for I-waves compared to D-waves. It also shows differences in the regions of activated cortical layer 5 and layer 3 pyramidal cells depending on coil orientation. Finally, it predicts that under standard stimulation conditions, action potentials are mostly generated at the axon initial segment of cortical pyramidal cells, with a much less important activation site being the part of a layer 5 pyramidal cell axon where it crosses the boundary between grey matter and white matter. In conclusion, our computational model offers a detailed account of the mechanisms through which TMS activates different cortical pyramidal cell types, paving the way for more targeted application of TMS based on individual brain morphology in clinical and basic research settings.

Development of a technique for three-dimensional image reconstruction from emission computed tomograms (ECT)

International Nuclear Information System (INIS)

Gerischer, R.

1987-01-01

The described technique for three-dimensional image reconstruction from ECT sections is based on a simple procedure, which can be carried out with the aid of any standard-type computer used in nuclear medicine and requires no sophisticated arithmetic approach. (TRV) [de

Multi-scale high-performance fluid flow: Simulations through porous media

KAUST Repository

Perović, Nevena

2016-08-03

Computational fluid dynamic (CFD) calculations on geometrically complex domains such as porous media require high geometric discretisation for accurately capturing the tested physical phenomena. Moreover, when considering a large area and analysing local effects, it is necessary to deploy a multi-scale approach that is both memory-intensive and time-consuming. Hence, this type of analysis must be conducted on a high-performance parallel computing infrastructure. In this paper, the coupling of two different scales based on the Navier–Stokes equations and Darcy\\'s law is described followed by the generation of complex geometries, and their discretisation and numerical treatment. Subsequently, the necessary parallelisation techniques and a rather specific tool, which is capable of retrieving data from the supercomputing servers and visualising them during the computation runtime (i.e. in situ) are described. All advantages and possible drawbacks of this approach, together with the preliminary results and sensitivity analyses are discussed in detail.

Multi-scale high-performance fluid flow: Simulations through porous media

KAUST Repository

Perović, Nevena; Frisch, Jé rô me; Salama, Amgad; Sun, Shuyu; Rank, Ernst; Mundani, Ralf Peter

2016-01-01

Computational fluid dynamic (CFD) calculations on geometrically complex domains such as porous media require high geometric discretisation for accurately capturing the tested physical phenomena. Moreover, when considering a large area and analysing local effects, it is necessary to deploy a multi-scale approach that is both memory-intensive and time-consuming. Hence, this type of analysis must be conducted on a high-performance parallel computing infrastructure. In this paper, the coupling of two different scales based on the Navier–Stokes equations and Darcy's law is described followed by the generation of complex geometries, and their discretisation and numerical treatment. Subsequently, the necessary parallelisation techniques and a rather specific tool, which is capable of retrieving data from the supercomputing servers and visualising them during the computation runtime (i.e. in situ) are described. All advantages and possible drawbacks of this approach, together with the preliminary results and sensitivity analyses are discussed in detail.

A multiscale quantum mechanics/electromagnetics method for device simulations.

Science.gov (United States)

Yam, ChiYung; Meng, Lingyi; Zhang, Yu; Chen, GuanHua

2015-04-07

Multiscale modeling has become a popular tool for research applying to different areas including materials science, microelectronics, biology, chemistry, etc. In this tutorial review, we describe a newly developed multiscale computational method, incorporating quantum mechanics into electronic device modeling with the electromagnetic environment included through classical electrodynamics. In the quantum mechanics/electromagnetics (QM/EM) method, the regions of the system where active electron scattering processes take place are treated quantum mechanically, while the surroundings are described by Maxwell's equations and a semiclassical drift-diffusion model. The QM model and the EM model are solved, respectively, in different regions of the system in a self-consistent manner. Potential distributions and current densities at the interface between QM and EM regions are employed as the boundary conditions for the quantum mechanical and electromagnetic simulations, respectively. The method is illustrated in the simulation of several realistic systems. In the case of junctionless field-effect transistors, transfer characteristics are obtained and a good agreement between experiments and simulations is achieved. Optical properties of a tandem photovoltaic cell are studied and the simulations demonstrate that multiple QM regions are coupled through the classical EM model. Finally, the study of a carbon nanotube-based molecular device shows the accuracy and efficiency of the QM/EM method.

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.

Toward the multiscale nature of stress corrosion cracking

Directory of Open Access Journals (Sweden)

Xiaolong Liu

2018-02-01

Full Text Available This article reviews the multiscale nature of stress corrosion cracking (SCC observed by high-resolution characterizations in austenite stainless steels and Ni-base superalloys in light water reactors (including boiling water reactors, pressurized water reactors, and supercritical water reactors with related opinions. A new statistical summary and comparison of observed degradation phenomena at different length scales is included. The intrinsic causes of this multiscale nature of SCC are discussed based on existing evidence and related opinions, ranging from materials theory to practical processing technologies. Questions of interest are then discussed to improve bottom-up understanding of the intrinsic causes. Last, a multiscale modeling and simulation methodology is proposed as a promising interdisciplinary solution to understand the intrinsic causes of the multiscale nature of SCC in light water reactors, based on a review of related supporting application evidence.

Multiscale Lattice Boltzmann method for flow simulations in highly heterogenous porous media

KAUST Repository

Li, Jun

2013-01-01

A lattice Boltzmann method (LBM) for flow simulations in highly heterogeneous porous media at both pore and Darcy scales is proposed in the paper. In the pore scale simulations, flow of two phases (e.g., oil and gas) or two immiscible fluids (e.g., water and oil) are modeled using cohesive or repulsive forces, respectively. The relative permeability can be computed using pore-scale simulations and seamlessly applied for intermediate and Darcy-scale simulations. A multiscale LBM that can reduce the computational complexity of existing LBM and transfer the information between different scales is implemented. The results of coarse-grid, reduced-order, simulations agree very well with the averaged results obtained using fine grid.

Computation of drag and lift coefficients for simple two-dimensional objects with Reynolds number Re = 420 000

Directory of Open Access Journals (Sweden)

Matas Richard

2012-04-01

Full Text Available The article deals with comparison of drag and lift coefficients for simple two-dimensional objects, which are often discussed in fluid mechanics fundamentals books. The commercial CFD software ANSYS/FLUENT 13 was used for computation of flow fields around the objects and determination of the drag and lift coefficients. The flow fields of the two-dimensional objects were computed for velocity up to 160 km per hour and Reynolds number Re = 420 000. Main purpose was to verify the suggested computational domain and model settings for further more complex objects geometries. The more complex profiles are used to stabilize asymmetrical ('z'-shaped pantographs of high-speed trains. The trains are used in two-way traffic where the pantographs have to operate with the same characteristics in both directions. Results of the CFD computations show oscillation of the drag and lift coefficients over time. The results are compared with theoretical and experimental data and discussed. Some examples are presented in the paper.

Multiscale KF Algorithm for Strong Fractional Noise Interference Suppression in Discrete-Time UWB Systems

Directory of Open Access Journals (Sweden)

Liyun Su

2011-01-01

Full Text Available In order to suppress the interference of the strong fractional noise signal in discrete-time ultrawideband (UWB systems, this paper presents a new UWB multi-scale Kalman filter (KF algorithm for the interference suppression. This approach solves the problem of the narrowband interference (NBI as nonstationary fractional signal in UWB communication, which does not need to estimate any channel parameter. In this paper, the received sampled signal is transformed through multiscale wavelet to obtain a state transition equation and an observation equation based on the stationarity theory of wavelet coefficients in time domain. Then through the Kalman filter method, fractional signal of arbitrary scale is easily figured out. Finally, fractional noise interference is subtracted from the received signal. Performance analysis and computer simulations reveal that this algorithm is effective to reduce the strong fractional noise when the sampling rate is low.

A computationally exact method of Dawson's model for hole dynamics of one-dimensional plasma

International Nuclear Information System (INIS)

Kitahara, Kazuo; Tanno, Kohki; Takada, Toshio; Hatori, Tadatsugu; Urata, Kazuhiro; Irie, Haruyuki; Nambu, Mitsuhiro; Saeki, Kohichi.

1990-01-01

We show a simple but computationally exact solution of the one-dimensional plasma model, so-called 'Dawson's model'. Using this solution, we can describe the evolution of the plasma and find the relative stabilization of a big hole after the instability of two streams. (author)

Interferograms, schlieren, and shadowgraphs constructed from real- and ideal-gas, two- and three-dimensional computed flowfields

Science.gov (United States)

Yates, Leslie A.

1993-01-01

The construction of interferograms, schlieren, and shadowgraphs from computed flowfield solutions permits one-to-one comparisons of computed and experimental results. A method of constructing these images from both ideal- and real-gas, two and three-dimensional computed flowfields is described. The computational grids can be structured or unstructured, and multiple grids are an option. Constructed images are shown for several types of computed flows including nozzle, wake, and reacting flows; comparisons to experimental images are also shown. In addition, th sensitivity of these images to errors in the flowfield solution is demonstrated, and the constructed images can be used to identify problem areas in the computations.

Multiscale Rotation-Invariant Convolutional Neural Networks for Lung Texture Classification.

Science.gov (United States)

Wang, Qiangchang; Zheng, Yuanjie; Yang, Gongping; Jin, Weidong; Chen, Xinjian; Yin, Yilong

2018-01-01

We propose a new multiscale rotation-invariant convolutional neural network (MRCNN) model for classifying various lung tissue types on high-resolution computed tomography. MRCNN employs Gabor-local binary pattern that introduces a good property in image analysis-invariance to image scales and rotations. In addition, we offer an approach to deal with the problems caused by imbalanced number of samples between different classes in most of the existing works, accomplished by changing the overlapping size between the adjacent patches. Experimental results on a public interstitial lung disease database show a superior performance of the proposed method to state of the art.

Individual-specific multi-scale finite element simulation of cortical bone of human proximal femur

International Nuclear Information System (INIS)

Ascenzi, Maria-Grazia; Kawas, Neal P.; Lutz, Andre; Kardas, Dieter; Nackenhorst, Udo; Keyak, Joyce H.

2013-01-01

We present an innovative method to perform multi-scale finite element analyses of the cortical component of the femur using the individual’s (1) computed tomography scan; and (2) a bone specimen obtained in conjunction with orthopedic surgery. The method enables study of micro-structural characteristics regulating strains and stresses under physiological loading conditions. The analysis of the micro-structural scenarios that cause variation of strain and stress is the first step in understanding the elevated strains and stresses in bone tissue, which are indicative of higher likelihood of micro-crack formation in bone, implicated in consequent remodeling or macroscopic bone fracture. Evidence that micro-structure varies with clinical history and contributes in significant, but poorly understood, ways to bone function, motivates the method’s development, as does need for software tools to investigate relationships between macroscopic loading and micro-structure. Three applications – varying region of interest, bone mineral density, and orientation of collagen type I, illustrate the method. We show, in comparison between physiological loading and simple compression of a patient’s femur, that strains computed at the multi-scale model’s micro-level: (i) differ; and (ii) depend on local collagen-apatite orientation and degree of calcification. Our findings confirm the strain concentration role of osteocyte lacunae, important for mechano-transduction. We hypothesize occurrence of micro-crack formation, leading either to remodeling or macroscopic fracture, when the computed strains exceed the elastic range observed in micro-structural testing

Individual-specific multi-scale finite element simulation of cortical bone of human proximal femur

Energy Technology Data Exchange (ETDEWEB)

Ascenzi, Maria-Grazia, E-mail: mgascenzi@mednet.ucla.edu [UCLA/Orthopaedic Hospital, Department of Orthopaedic Surgery, Rehabilitation Bldg, Room 22-69, 1000 Veteran Avenue, University of California, Los Angeles, CA 90095 (United States); Kawas, Neal P., E-mail: nealkawas@ucla.edu [UCLA/Orthopaedic Hospital, Department of Orthopaedic Surgery, Rehabilitation Bldg, Room 22-69, 1000 Veteran Avenue, University of California, Los Angeles, CA 90095 (United States); Lutz, Andre, E-mail: andre.lutz@hotmail.de [Institute of Biomechanics and Numerical Mechanics, Leibniz University Hannover, 30167 Hannover (Germany); Kardas, Dieter, E-mail: kardas@ibnm.uni-hannover.de [ContiTech Vibration Control, Jaedekamp 30 None, 30419 Hannover (Germany); Nackenhorst, Udo, E-mail: nackenhorst@ibnm.uni-hannover.de [Institute of Biomechanics and Numerical Mechanics, Leibniz University Hannover, 30167 Hannover (Germany); Keyak, Joyce H., E-mail: jhkeyak@uci.edu [Department of Radiological Sciences, Medical Sciences I, Bldg 811, Room B140, University of California, Irvine, CA 92697-5000 (United States)

2013-07-01

We present an innovative method to perform multi-scale finite element analyses of the cortical component of the femur using the individual’s (1) computed tomography scan; and (2) a bone specimen obtained in conjunction with orthopedic surgery. The method enables study of micro-structural characteristics regulating strains and stresses under physiological loading conditions. The analysis of the micro-structural scenarios that cause variation of strain and stress is the first step in understanding the elevated strains and stresses in bone tissue, which are indicative of higher likelihood of micro-crack formation in bone, implicated in consequent remodeling or macroscopic bone fracture. Evidence that micro-structure varies with clinical history and contributes in significant, but poorly understood, ways to bone function, motivates the method’s development, as does need for software tools to investigate relationships between macroscopic loading and micro-structure. Three applications – varying region of interest, bone mineral density, and orientation of collagen type I, illustrate the method. We show, in comparison between physiological loading and simple compression of a patient’s femur, that strains computed at the multi-scale model’s micro-level: (i) differ; and (ii) depend on local collagen-apatite orientation and degree of calcification. Our findings confirm the strain concentration role of osteocyte lacunae, important for mechano-transduction. We hypothesize occurrence of micro-crack formation, leading either to remodeling or macroscopic fracture, when the computed strains exceed the elastic range observed in micro-structural testing.

Generalization Performance of Regularized Ranking With Multiscale Kernels.

Science.gov (United States)

Zhou, Yicong; Chen, Hong; Lan, Rushi; Pan, Zhibin

2016-05-01

The regularized kernel method for the ranking problem has attracted increasing attentions in machine learning. The previous regularized ranking algorithms are usually based on reproducing kernel Hilbert spaces with a single kernel. In this paper, we go beyond this framework by investigating the generalization performance of the regularized ranking with multiscale kernels. A novel ranking algorithm with multiscale kernels is proposed and its representer theorem is proved. We establish the upper bound of the generalization error in terms of the complexity of hypothesis spaces. It shows that the multiscale ranking algorithm can achieve satisfactory learning rates under mild conditions. Experiments demonstrate the effectiveness of the proposed method for drug discovery and recommendation tasks.

The possible usability of three-dimensional cone beam computed dental tomography in dental research

Science.gov (United States)

Yavuz, I.; Rizal, M. F.; Kiswanjaya, B.

2017-08-01

The innovations and advantages of three-dimensional cone beam computed dental tomography (3D CBCT) are continually growing for its potential use in dental research. Imaging techniques are important for planning research in dentistry. Newly improved 3D CBCT imaging systems and accessory computer programs have recently been proven effective for use in dental research. The aim of this study is to introduce 3D CBCT and open a window for future research possibilities that should be given attention in dental research.

Deductive multiscale simulation using order parameters

Science.gov (United States)

Ortoleva, Peter J.

2017-05-16

Illustrative embodiments of systems and methods for the deductive multiscale simulation of macromolecules are disclosed. In one illustrative embodiment, a deductive multiscale simulation method may include (i) constructing a set of order parameters that model one or more structural characteristics of a macromolecule, (ii) simulating an ensemble of atomistic configurations for the macromolecule using instantaneous values of the set of order parameters, (iii) simulating thermal-average forces and diffusivities for the ensemble of atomistic configurations, and (iv) evolving the set of order parameters via Langevin dynamics using the thermal-average forces and diffusivities.

Generalized multiscale finite element methods for problems in perforated heterogeneous domains

KAUST Repository

Chung, Eric T.

2015-06-08

Complex processes in perforated domains occur in many real-world applications. These problems are typically characterized by physical processes in domains with multiple scales. Moreover, these problems are intrinsically multiscale and their discretizations can yield very large linear or nonlinear systems. In this paper, we investigate multiscale approaches that attempt to solve such problems on a coarse grid by constructing multiscale basis functions in each coarse grid, where the coarse grid can contain many perforations. In particular, we are interested in cases when there is no scale separation and the perforations can have different sizes. In this regard, we mention some earlier pioneering works, where the authors develop multiscale finite element methods. In our paper, we follow Generalized Multiscale Finite Element Method (GMsFEM) and develop a multiscale procedure where we identify multiscale basis functions in each coarse block using snapshot space and local spectral problems. We show that with a few basis functions in each coarse block, one can approximate the solution, where each coarse block can contain many small inclusions. We apply our general concept to (1) Laplace equation in perforated domains; (2) elasticity equation in perforated domains; and (3) Stokes equations in perforated domains. Numerical results are presented for these problems using two types of heterogeneous perforated domains. The analysis of the proposed methods will be presented elsewhere. © 2015 Taylor & Francis

Algorithmic foundation of multi-scale spatial representation

CERN Document Server

Li, Zhilin

2006-01-01

With the widespread use of GIS, multi-scale representation has become an important issue in the realm of spatial data handling. However, no book to date has systematically tackled the different aspects of this discipline. Emphasizing map generalization, Algorithmic Foundation of Multi-Scale Spatial Representation addresses the mathematical basis of multi-scale representation, specifically, the algorithmic foundation.Using easy-to-understand language, the author focuses on geometric transformations, with each chapter surveying a particular spatial feature. After an introduction to the essential operations required for geometric transformations as well as some mathematical and theoretical background, the book describes algorithms for a class of point features/clusters. It then examines algorithms for individual line features, such as the reduction of data points, smoothing (filtering), and scale-driven generalization, followed by a discussion of algorithms for a class of line features including contours, hydrog...

A multi-scale correlative investigation of ductile fracture

International Nuclear Information System (INIS)

Daly, M.; Burnett, T.L.; Pickering, E.J.; Tuck, O.C.G.; Léonard, F.; Kelley, R.; Withers, P.J.; Sherry, A.H.

2017-01-01

The use of novel multi-scale correlative methods, which involve the coordinated characterisation of matter across a range of length scales, are becoming of increasing value to materials scientists. Here, we describe for the first time how a multi-scale correlative approach can be used to investigate the nature of ductile fracture in metals. Specimens of a nuclear pressure vessel steel, SA508 Grade 3, are examined following ductile fracture using medium and high-resolution 3D X-ray computed tomography (CT) analyses, and a site-specific analysis using a dual beam plasma focused ion beam scanning electron microscope (PFIB-SEM). The methods are employed sequentially to characterise damage by void nucleation and growth in one volume of interest, allowing for the imaging of voids that ranged in size from less than 100 nm to over 100 μm. This enables the examination of voids initiated at carbide particles to be detected, as well as the large voids initiated at inclusions. We demonstrate that this multi-scale correlative approach is a powerful tool, which not only enhances our understanding of ductile failure through detailed characterisation of microstructure, but also provides quantitative information about the size, volume fractions and spatial distributions of voids that can be used to inform models of failure. It is found that the vast majority of large voids nucleated at MnS inclusions, and that the volume of a void varied according to the volume of its initiating inclusion raised to the power 3/2. The most severe voiding was concentrated within 500 μm of the fracture surface, but measurable damage was found to extend to a depth of at least 3 mm. Microvoids associated with carbides (carbide-initiated voids) were found to be concentrated around larger inclusion-initiated voids at depths of at least 400 μm. Methods for quantifying X-ray CT void data are discussed, and a procedure for using this data to calibrate parameters in the Gurson-Tvergaard Needleman (GTN

Computational models of stellar collapse and core-collapse supernovae

Energy Technology Data Exchange (ETDEWEB)

Ott, Christian D; O' Connor, Evan [TAPIR, Mailcode 350-17, California Institute of Technology, Pasadena, CA (United States); Schnetter, Erik; Loeffler, Frank [Center for Computation and Technology, Louisiana State University, Baton Rouge, LA (United States); Burrows, Adam [Department of Astrophysical Sciences, Princeton University, Princeton, NJ (United States); Livne, Eli, E-mail: cott@tapir.caltech.ed [Racah Institute of Physics, Hebrew University, Jerusalem (Israel)

2009-07-01

Core-collapse supernovae are among Nature's most energetic events. They mark the end of massive star evolution and pollute the interstellar medium with the life-enabling ashes of thermonuclear burning. Despite their importance for the evolution of galaxies and life in the universe, the details of the core-collapse supernova explosion mechanism remain in the dark and pose a daunting computational challenge. We outline the multi-dimensional, multi-scale, and multi-physics nature of the core-collapse supernova problem and discuss computational strategies and requirements for its solution. Specifically, we highlight the axisymmetric (2D) radiation-MHD code VULCAN/2D and present results obtained from the first full-2D angle-dependent neutrino radiation-hydrodynamics simulations of the post-core-bounce supernova evolution. We then go on to discuss the new code Zelmani which is based on the open-source HPC Cactus framework and provides a scalable AMR approach for 3D fully general-relativistic modeling of stellar collapse, core-collapse supernovae and black hole formation on current and future massively-parallel HPC systems. We show Zelmani's scaling properties to more than 16,000 compute cores and discuss first 3D general-relativistic core-collapse results.

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.

Wetting characteristics of 3-dimensional nanostructured fractal surfaces

Science.gov (United States)

Davis, Ethan; Liu, Ying; Jiang, Lijia; Lu, Yongfeng; Ndao, Sidy

2017-01-01

This article reports the fabrication and wetting characteristics of 3-dimensional nanostructured fractal surfaces (3DNFS). Three distinct 3DNFS surfaces, namely cubic, Romanesco broccoli, and sphereflake were fabricated using two-photon direct laser writing. Contact angle measurements were performed on the multiscale fractal surfaces to characterize their wetting properties. Average contact angles ranged from 66.8° for the smooth control surface to 0° for one of the fractal surfaces. The change in wetting behavior was attributed to modification of the interfacial surface properties due to the inclusion of 3-dimensional hierarchical fractal nanostructures. However, this behavior does not exactly obey existing surface wetting models in the literature. Potential applications for these types of surfaces in physical and biological sciences are also discussed.

Computation of zero. beta. three-dimensional equilibria with magnetic islands