Parallel computing of a climate model on the dawn 1000 by domain decomposition method

Science.gov (United States)

Bi, Xunqiang

1997-12-01

In this paper the parallel computing of a grid-point nine-level atmospheric general circulation model on the Dawn 1000 is introduced. The model was developed by the Institute of Atmospheric Physics (IAP), Chinese Academy of Sciences (CAS). The Dawn 1000 is a MIMD massive parallel computer made by National Research Center for Intelligent Computer (NCIC), CAS. A two-dimensional domain decomposition method is adopted to perform the parallel computing. The potential ways to increase the speed-up ratio and exploit more resources of future massively parallel supercomputation are also discussed.

Numerical computer methods part D

CERN Document Server

Johnson, Michael L

2004-01-01

The aim of this volume is to brief researchers of the importance of data analysis in enzymology, and of the modern methods that have developed concomitantly with computer hardware. It is also to validate researchers' computer programs with real and synthetic data to ascertain that the results produced are what they expected. Selected Contents: Prediction of protein structure; modeling and studying proteins with molecular dynamics; statistical error in isothermal titration calorimetry; analysis of circular dichroism data; model comparison methods.

Computational methods for structural load and resistance modeling

Science.gov (United States)

Thacker, B. H.; Millwater, H. R.; Harren, S. V.

1991-01-01

An automated capability for computing structural reliability considering uncertainties in both load and resistance variables is presented. The computations are carried out using an automated Advanced Mean Value iteration algorithm (AMV +) with performance functions involving load and resistance variables obtained by both explicit and implicit methods. A complete description of the procedures used is given as well as several illustrative examples, verified by Monte Carlo Analysis. In particular, the computational methods described in the paper are shown to be quite accurate and efficient for a material nonlinear structure considering material damage as a function of several primitive random variables. The results show clearly the effectiveness of the algorithms for computing the reliability of large-scale structural systems with a maximum number of resolutions.

GRAVTool, Advances on the Package to Compute Geoid Model path by the Remove-Compute-Restore Technique, Following Helmert's Condensation Method

Science.gov (United States)

Marotta, G. S.

2017-12-01

Currently, there are several methods to determine geoid models. They can be based on terrestrial gravity data, geopotential coefficients, astrogeodetic data or a combination of them. Among the techniques to compute a precise geoid model, the Remove Compute Restore (RCR) has been widely applied. It considers short, medium and long wavelengths derived from altitude data provided by Digital Terrain Models (DTM), terrestrial gravity data and Global Geopotential Model (GGM), respectively. In order to apply this technique, it is necessary to create procedures that compute gravity anomalies and geoid models, by the integration of different wavelengths, and adjust these models to one local vertical datum. This research presents the advances on the package called GRAVTool to compute geoid models path by the RCR, following Helmert's condensation method, and its application in a study area. The studied area comprehends the federal district of Brazil, with 6000 km², wavy relief, heights varying from 600 m to 1340 m, located between the coordinates 48.25ºW, 15.45ºS and 47.33ºW, 16.06ºS. The results of the numerical example on the studied area show a geoid model computed by the GRAVTool package, after analysis of the density, DTM and GGM values, more adequate to the reference values used on the study area. The accuracy of the computed model (σ = ± 0.058 m, RMS = 0.067 m, maximum = 0.124 m and minimum = -0.155 m), using density value of 2.702 g/cm³ ±0.024 g/cm³, DTM SRTM Void Filled 3 arc-second and GGM EIGEN-6C4 up to degree and order 250, matches the uncertainty (σ =± 0.073) of 26 points randomly spaced where the geoid was computed by geometrical leveling technique supported by positioning GNSS. The results were also better than those achieved by Brazilian official regional geoid model (σ = ± 0.076 m, RMS = 0.098 m, maximum = 0.320 m and minimum = -0.061 m).

Computational and mathematical methods in brain atlasing.

Science.gov (United States)

Nowinski, Wieslaw L

2017-12-01

Brain atlases have a wide range of use from education to research to clinical applications. Mathematical methods as well as computational methods and tools play a major role in the process of brain atlas building and developing atlas-based applications. Computational methods and tools cover three areas: dedicated editors for brain model creation, brain navigators supporting multiple platforms, and atlas-assisted specific applications. Mathematical methods in atlas building and developing atlas-aided applications deal with problems in image segmentation, geometric body modelling, physical modelling, atlas-to-scan registration, visualisation, interaction and virtual reality. Here I overview computational and mathematical methods in atlas building and developing atlas-assisted applications, and share my contribution to and experience in this field.

Computer-Aided Modeling Framework

DEFF Research Database (Denmark)

Fedorova, Marina; Sin, Gürkan; Gani, Rafiqul

Models are playing important roles in design and analysis of chemicals based products and the processes that manufacture them. Computer-aided methods and tools have the potential to reduce the number of experiments, which can be expensive and time consuming, and there is a benefit of working...... development and application. The proposed work is a part of the project for development of methods and tools that will allow systematic generation, analysis and solution of models for various objectives. It will use the computer-aided modeling framework that is based on a modeling methodology, which combines....... In this contribution, the concept of template-based modeling is presented and application is highlighted for the specific case of catalytic membrane fixed bed models. The modeling template is integrated in a generic computer-aided modeling framework. Furthermore, modeling templates enable the idea of model reuse...

Multi-chain Markov chain Monte Carlo methods for computationally expensive models

Science.gov (United States)

Huang, M.; Ray, J.; Ren, H.; Hou, Z.; Bao, J.

2017-12-01

Markov chain Monte Carlo (MCMC) methods are used to infer model parameters from observational data. The parameters are inferred as probability densities, thus capturing estimation error due to sparsity of the data, and the shortcomings of the model. Multiple communicating chains executing the MCMC method have the potential to explore the parameter space better, and conceivably accelerate the convergence to the final distribution. We present results from tests conducted with the multi-chain method to show how the acceleration occurs i.e., for loose convergence tolerances, the multiple chains do not make much of a difference. The ensemble of chains also seems to have the ability to accelerate the convergence of a few chains that might start from suboptimal starting points. Finally, we show the performance of the chains in the estimation of O(10) parameters using computationally expensive forward models such as the Community Land Model, where the sampling burden is distributed over multiple chains.

Computational method and system for modeling, analyzing, and optimizing DNA amplification and synthesis

Science.gov (United States)

Vandersall, Jennifer A.; Gardner, Shea N.; Clague, David S.

2010-05-04

A computational method and computer-based system of modeling DNA synthesis for the design and interpretation of PCR amplification, parallel DNA synthesis, and microarray chip analysis. The method and system include modules that address the bioinformatics, kinetics, and thermodynamics of DNA amplification and synthesis. Specifically, the steps of DNA selection, as well as the kinetics and thermodynamics of DNA hybridization and extensions, are addressed, which enable the optimization of the processing and the prediction of the products as a function of DNA sequence, mixing protocol, time, temperature and concentration of species.

A general method for generating bathymetric data for hydrodynamic computer models

Science.gov (United States)

Burau, J.R.; Cheng, R.T.

1989-01-01

To generate water depth data from randomly distributed bathymetric data for numerical hydrodymamic models, raw input data from field surveys, water depth data digitized from nautical charts, or a combination of the two are sorted to given an ordered data set on which a search algorithm is used to isolate data for interpolation. Water depths at locations required by hydrodynamic models are interpolated from the bathymetric data base using linear or cubic shape functions used in the finite-element method. The bathymetric database organization and preprocessing, the search algorithm used in finding the bounding points for interpolation, the mathematics of the interpolation formulae, and the features of the automatic generation of water depths at hydrodynamic model grid points are included in the analysis. This report includes documentation of two computer programs which are used to: (1) organize the input bathymetric data; and (2) to interpolate depths for hydrodynamic models. An example of computer program operation is drawn from a realistic application to the San Francisco Bay estuarine system. (Author 's abstract)

Technical Note: Method of Morris effectively reduces the computational demands of global sensitivity analysis for distributed watershed models

Directory of Open Access Journals (Sweden)

J. D. Herman

2013-07-01

Full Text Available The increase in spatially distributed hydrologic modeling warrants a corresponding increase in diagnostic methods capable of analyzing complex models with large numbers of parameters. Sobol' sensitivity analysis has proven to be a valuable tool for diagnostic analyses of hydrologic models. However, for many spatially distributed models, the Sobol' method requires a prohibitive number of model evaluations to reliably decompose output variance across the full set of parameters. We investigate the potential of the method of Morris, a screening-based sensitivity approach, to provide results sufficiently similar to those of the Sobol' method at a greatly reduced computational expense. The methods are benchmarked on the Hydrology Laboratory Research Distributed Hydrologic Model (HL-RDHM over a six-month period in the Blue River watershed, Oklahoma, USA. The Sobol' method required over six million model evaluations to ensure reliable sensitivity indices, corresponding to more than 30 000 computing hours and roughly 180 gigabytes of storage space. We find that the method of Morris is able to correctly screen the most and least sensitive parameters with 300 times fewer model evaluations, requiring only 100 computing hours and 1 gigabyte of storage space. The method of Morris proves to be a promising diagnostic approach for global sensitivity analysis of highly parameterized, spatially distributed hydrologic models.

Overview of Computer Simulation Modeling Approaches and Methods

Science.gov (United States)

Robert E. Manning; Robert M. Itami; David N. Cole; Randy Gimblett

2005-01-01

The field of simulation modeling has grown greatly with recent advances in computer hardware and software. Much of this work has involved large scientific and industrial applications for which substantial financial resources are available. However, advances in object-oriented programming and simulation methodology, concurrent with dramatic increases in computer...

A SCILAB Program for Computing General-Relativistic Models of Rotating Neutron Stars by Implementing Hartle's Perturbation Method

Science.gov (United States)

Papasotiriou, P. J.; Geroyannis, V. S.

We implement Hartle's perturbation method to the computation of relativistic rigidly rotating neutron star models. The program has been written in SCILAB (© INRIA ENPC), a matrix-oriented high-level programming language. The numerical method is described in very detail and is applied to many models in slow or fast rotation. We show that, although the method is perturbative, it gives accurate results for all practical purposes and it should prove an efficient tool for computing rapidly rotating pulsars.

PREFACE: Euro-TMCS I: Theory, Modelling and Computational Methods for Semiconductors

Science.gov (United States)

Gómez-Campos, F. M.; Rodríguez-Bolívar, S.; Tomić, S.

2015-05-01

The present issue contains a selection of the best contributed works presented at the first Euro-TMCS conference (Theory, Modelling and Computational Methods for Semiconductors, European Session). The conference was held at Faculty of Sciences, Universidad de Granada, Spain on 28st-30st January 2015. This conference is the first European edition of the TMCS conference series which started in 2008 at the University of Manchester and has always been held in the United Kingdom. Four previous conferences have been previously carried out (Manchester 2008, York 2010, Leeds 2012 and Salford 2014). Euro-TMCS is run for three days; the first one devoted to giving invited tutorials, aimed particularly at students, on recent development of theoretical methods. On this occasion the session was focused on the presentation of widely-used computational methods for the modelling of physical processes in semiconductor materials. Freely available simulation software (SIESTA, Quantum Espresso and Yambo) as well as commercial software (TiberCad and MedeA) were presented in the conference by members of their development team, offering to the audience an overview of their capabilities for research. The second part of the conference showcased prestigious invited and contributed oral presentations, alongside poster sessions, in which direct discussion with authors was promoted. The scope of this conference embraces modelling, theory and the use of sophisticated computational tools in semiconductor science and technology. Theoretical approaches represented in this meeting included: Density Functional Theory, Semi-empirical Electronic Structure Methods, Multi-scale Approaches, Modelling of PV devices, Electron Transport, and Graphene. Topics included, but were not limited to: Optical Properties of Quantum Nanostructures including Colloids and Nanotubes, Plasmonics, Magnetic Semiconductors, Photonic Structures, and Electronic Devices. The Editors Acknowledgments: We would like to thank all

Systematic Methods and Tools for Computer Aided Modelling

DEFF Research Database (Denmark)

Fedorova, Marina

and processes can be faster, cheaper and very efficient. The developed modelling framework involves five main elements: 1) a modelling tool, that includes algorithms for model generation; 2) a template library, which provides building blocks for the templates (generic models previously developed); 3) computer......-format and COM-objects, are incorporated to allow the export and import of mathematical models; 5) a user interface that provides the work-flow and data-flow to guide the user through the different modelling tasks....

Patient-Specific Computational Modeling

CERN Document Server

Peña, Estefanía

2012-01-01

This book addresses patient-specific modeling. It integrates computational modeling, experimental procedures, imagine clinical segmentation and mesh generation with the finite element method (FEM) to solve problems in computational biomedicine and bioengineering. Specific areas of interest include cardiovascular problems, ocular and muscular systems and soft tissue modeling. Patient-specific modeling has been the subject of serious research over the last seven years and interest in the area is continually growing and this area is expected to further develop in the near future.

Computational methods in drug discovery

Directory of Open Access Journals (Sweden)

Sumudu P. Leelananda

2016-12-01

Full Text Available The process for drug discovery and development is challenging, time consuming and expensive. Computer-aided drug discovery (CADD tools can act as a virtual shortcut, assisting in the expedition of this long process and potentially reducing the cost of research and development. Today CADD has become an effective and indispensable tool in therapeutic development. The human genome project has made available a substantial amount of sequence data that can be used in various drug discovery projects. Additionally, increasing knowledge of biological structures, as well as increasing computer power have made it possible to use computational methods effectively in various phases of the drug discovery and development pipeline. The importance of in silico tools is greater than ever before and has advanced pharmaceutical research. Here we present an overview of computational methods used in different facets of drug discovery and highlight some of the recent successes. In this review, both structure-based and ligand-based drug discovery methods are discussed. Advances in virtual high-throughput screening, protein structure prediction methods, protein–ligand docking, pharmacophore modeling and QSAR techniques are reviewed.

Basic study on a lower-energy defibrillation method using computer simulation and cultured myocardial cell models.

Science.gov (United States)

Yaguchi, A; Nagase, K; Ishikawa, M; Iwasaka, T; Odagaki, M; Hosaka, H

2006-01-01

Computer simulation and myocardial cell models were used to evaluate a low-energy defibrillation technique. A generated spiral wave, considered to be a mechanism of fibrillation, and fibrillation were investigated using two myocardial sheet models: a two-dimensional computer simulation model and a two-dimensional experimental model. A new defibrillation technique that has few side effects, which are induced by the current passing into the patient's body, on cardiac muscle is desired. The purpose of the present study is to conduct a basic investigation into an efficient defibrillation method. In order to evaluate the defibrillation method, the propagation of excitation in the myocardial sheet is measured during the normal state and during fibrillation, respectively. The advantages of the low-energy defibrillation technique are then discussed based on the stimulation timing.

Industrial applications of formal methods to model, design and analyze computer systems

CERN Document Server

Craigen, Dan

1995-01-01

Formal methods are mathematically-based techniques, often supported by reasoning tools, that can offer a rigorous and effective way to model, design and analyze computer systems. The purpose of this study is to evaluate international industrial experience in using formal methods. The cases selected are representative of industrial-grade projects and span a variety of application domains. The study had three main objectives: · To better inform deliberations within industry and government on standards and regulations; · To provide an authoritative record on the practical experience of formal m

Electromagnetic computation methods for lightning surge protection studies

CERN Document Server

Baba, Yoshihiro

2016-01-01

This book is the first to consolidate current research and to examine the theories of electromagnetic computation methods in relation to lightning surge protection. The authors introduce and compare existing electromagnetic computation methods such as the method of moments (MOM), the partial element equivalent circuit (PEEC), the finite element method (FEM), the transmission-line modeling (TLM) method, and the finite-difference time-domain (FDTD) method. The application of FDTD method to lightning protection studies is a topic that has matured through many practical applications in the past decade, and the authors explain the derivation of Maxwell's equations required by the FDTD, and modeling of various electrical components needed in computing lightning electromagnetic fields and surges with the FDTD method. The book describes the application of FDTD method to current and emerging problems of lightning surge protection of continuously more complex installations, particularly in critical infrastructures of e...

A method of paralleling computer calculation for two-dimensional kinetic plasma model

International Nuclear Information System (INIS)

Brazhnik, V.A.; Demchenko, V.V.; Dem'yanov, V.G.; D'yakov, V.E.; Ol'shanskij, V.V.; Panchenko, V.I.

1987-01-01

A method for parallel computer calculation and OSIRIS program complex realizing it and designed for numerical plasma simulation by the macroparticle method are described. The calculation can be carried out either with one or simultaneously with two computers BESM-6, that is provided by some package of interacting programs functioning in every computer. Program interaction in every computer is based on event techniques realized in OS DISPAK. Parallel computer calculation with two BESM-6 computers allows to accelerate the computation 1.5 times

A method of computer modelling the lithium-ion batteries aging process based on the experimental characteristics

Science.gov (United States)

Czerepicki, A.; Koniak, M.

2017-06-01

The paper presents a method of modelling the processes of aging lithium-ion batteries, its implementation as a computer application and results for battery state estimation. Authors use previously developed behavioural battery model, which was built using battery operating characteristics obtained from the experiment. This model was implemented in the form of a computer program using a database to store battery characteristics. Batteries aging process is a new extended functionality of the model. Algorithm of computer simulation uses a real measurements of battery capacity as a function of the battery charge and discharge cycles number. Simulation allows to take into account the incomplete cycles of charge or discharge battery, which are characteristic for transport powered by electricity. The developed model was used to simulate the battery state estimation for different load profiles, obtained by measuring the movement of the selected means of transport.

Stochastic processes, multiscale modeling, and numerical methods for computational cellular biology

CERN Document Server

2017-01-01

This book focuses on the modeling and mathematical analysis of stochastic dynamical systems along with their simulations. The collected chapters will review fundamental and current topics and approaches to dynamical systems in cellular biology. This text aims to develop improved mathematical and computational methods with which to study biological processes. At the scale of a single cell, stochasticity becomes important due to low copy numbers of biological molecules, such as mRNA and proteins that take part in biochemical reactions driving cellular processes. When trying to describe such biological processes, the traditional deterministic models are often inadequate, precisely because of these low copy numbers. This book presents stochastic models, which are necessary to account for small particle numbers and extrinsic noise sources. The complexity of these models depend upon whether the biochemical reactions are diffusion-limited or reaction-limited. In the former case, one needs to adopt the framework of s...

Computer-modeling codes to improve exploration nuclear-logging methods. National Uranium Resource Evaluation

International Nuclear Information System (INIS)

Wilson, R.D.; Price, R.K.; Kosanke, K.L.

1983-03-01

As part of the Department of Energy's National Uranium Resource Evaluation (NURE) project's Technology Development effort, a number of computer codes and accompanying data bases were assembled for use in modeling responses of nuclear borehole logging Sondes. The logging methods include fission neutron, active and passive gamma-ray, and gamma-gamma. These CDC-compatible computer codes and data bases are available on magnetic tape from the DOE Technical Library at its Grand Junction Area Office. Some of the computer codes are standard radiation-transport programs that have been available to the radiation shielding community for several years. Other codes were specifically written to model the response of borehole radiation detectors or are specialized borehole modeling versions of existing Monte Carlo transport programs. Results from several radiation modeling studies are available as two large data bases (neutron and gamma-ray). These data bases are accompanied by appropriate processing programs that permit the user to model a wide range of borehole and formation-parameter combinations for fission-neutron, neutron-, activation and gamma-gamma logs. The first part of this report consists of a brief abstract for each code or data base. The abstract gives the code name and title, short description, auxiliary requirements, typical running time (CDC 6600), and a list of references. The next section gives format specifications and/or directory for the tapes. The final section of the report presents listings for programs used to convert data bases between machine floating-point and EBCDIC

Fast computation of the characteristics method on vector computers

International Nuclear Information System (INIS)

Kugo, Teruhiko

2001-11-01

Fast computation of the characteristics method to solve the neutron transport equation in a heterogeneous geometry has been studied. Two vector computation algorithms; an odd-even sweep (OES) method and an independent sequential sweep (ISS) method have been developed and their efficiency to a typical fuel assembly calculation has been investigated. For both methods, a vector computation is 15 times faster than a scalar computation. From a viewpoint of comparison between the OES and ISS methods, the followings are found: 1) there is a small difference in a computation speed, 2) the ISS method shows a faster convergence and 3) the ISS method saves about 80% of computer memory size compared with the OES method. It is, therefore, concluded that the ISS method is superior to the OES method as a vectorization method. In the vector computation, a table-look-up method to reduce computation time of an exponential function saves only 20% of a whole computation time. Both the coarse mesh rebalance method and the Aitken acceleration method are effective as acceleration methods for the characteristics method, a combination of them saves 70-80% of outer iterations compared with a free iteration. (author)

Essential numerical computer methods

CERN Document Server

Johnson, Michael L

2010-01-01

The use of computers and computational methods has become ubiquitous in biological and biomedical research. During the last 2 decades most basic algorithms have not changed, but what has is the huge increase in computer speed and ease of use, along with the corresponding orders of magnitude decrease in cost. A general perception exists that the only applications of computers and computer methods in biological and biomedical research are either basic statistical analysis or the searching of DNA sequence data bases. While these are important applications they only scratch the surface of the current and potential applications of computers and computer methods in biomedical research. The various chapters within this volume include a wide variety of applications that extend far beyond this limited perception. As part of the Reliable Lab Solutions series, Essential Numerical Computer Methods brings together chapters from volumes 210, 240, 321, 383, 384, 454, and 467 of Methods in Enzymology. These chapters provide ...

Ex Vivo Methods for Informing Computational Models of the Mitral Valve

OpenAIRE

Bloodworth, Charles H.; Pierce, Eric L.; Easley, Thomas F.; Drach, Andrew; Khalighi, Amir H.; Toma, Milan; Jensen, Morten O.; Sacks, Michael S.; Yoganathan, Ajit P.

2016-01-01

Computational modeling of the mitral valve (MV) has potential applications for determining optimal MV repair techniques and risk of recurrent mitral regurgitation. Two key concerns for informing these models are (1) sensitivity of model performance to the accuracy of the input geometry, and, (2) acquisition of comprehensive data sets against which the simulation can be validated across clinically relevant geometries. Addressing the first concern, ex vivo micro-computed tomography (microCT) wa...

Editorial: Modelling and computational challenges in granular materials

OpenAIRE

Weinhart, Thomas; Thornton, Anthony Richard; Einav, Itai

2015-01-01

This is the editorial for the special issue on “Modelling and computational challenges in granular materials” in the journal on Computational Particle Mechanics (CPM). The issue aims to provide an opportunity for physicists, engineers, applied mathematicians and computational scientists to discuss the current progress and latest advancements in the field of advanced numerical methods and modelling of granular materials. The focus will be on computational methods, improved algorithms and the m...

PREFACE: 3rd Workshop on Theory, Modelling and Computational Methods for Semiconductors (TMCSIII)

Science.gov (United States)

Califano, Marco; Migliorato, Max; Probert, Matt

2012-05-01

These conference proceedings contain the written papers of the contributions presented at the 3rd International Conference on Theory, Modelling and Computational Methods for Semiconductor materials and nanostructures. The conference was held at the School of Electronic and Electrical Engineering, University of Leeds, Leeds, UK on 18-20 January 2012. The previous conferences in this series took place in 2010 at St William's College, York and in 2008 at the University of Manchester, UK. The development of high-speed computer architectures is finally allowing the routine use of accurate methods for calculating the structural, thermodynamic, vibrational, optical and electronic properties of semiconductors and their hetero- and nano-structures. The scope of this conference embraces modelling, theory and the use of sophisticated computational tools in semiconductor science and technology, where there is substantial potential for time-saving in R&D. Theoretical approaches represented in this meeting included: Density Functional Theory, Tight Binding, Semiempirical Pseudopotential Methods, Effective Mass Models, Empirical Potential Methods and Multiscale Approaches. Topics included, but were not limited to: Optical and Transport Properties of Quantum Nanostructures including Colloids and Nanotubes, Plasmonics, Magnetic Semiconductors, Graphene, Lasers, Photonic Structures, Photovoltaic and Electronic Devices. This workshop ran for three days, with the objective of bringing together UK and international leading experts in the theoretical modelling of Group IV, III-V and II-VI semiconductors, as well as students, postdocs and early-career researchers. The first day focused on providing an introduction and overview of this vast field, aimed particularly at students, with several lectures given by recognised experts in various theoretical approaches. The following two days showcased some of the best theoretical research carried out in the UK in this field, with several

Method of computer generation and projection recording of microholograms for holographic memory systems: mathematical modelling and experimental implementation

International Nuclear Information System (INIS)

Betin, A Yu; Bobrinev, V I; Evtikhiev, N N; Zherdev, A Yu; Zlokazov, E Yu; Lushnikov, D S; Markin, V V; Odinokov, S B; Starikov, S N; Starikov, R S

2013-01-01

A method of computer generation and projection recording of microholograms for holographic memory systems is presented; the results of mathematical modelling and experimental implementation of the method are demonstrated. (holographic memory)

Numerical computer methods part E

CERN Document Server

Johnson, Michael L

2004-01-01

The contributions in this volume emphasize analysis of experimental data and analytical biochemistry, with examples taken from biochemistry. They serve to inform biomedical researchers of the modern data analysis methods that have developed concomitantly with computer hardware. Selected Contents: A practical approach to interpretation of SVD results; modeling of oscillations in endocrine networks with feedback; quantifying asynchronous breathing; sample entropy; wavelet modeling and processing of nasal airflow traces.

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

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.

Computing observables in curved multifield models of inflation—A guide (with code) to the transport method

Energy Technology Data Exchange (ETDEWEB)

Dias, Mafalda; Seery, David [Astronomy Centre, University of Sussex, Brighton BN1 9QH (United Kingdom); Frazer, Jonathan, E-mail: m.dias@sussex.ac.uk, E-mail: j.frazer@sussex.ac.uk, E-mail: a.liddle@sussex.ac.uk [Department of Theoretical Physics, University of the Basque Country, UPV/EHU, 48040 Bilbao (Spain)

2015-12-01

We describe how to apply the transport method to compute inflationary observables in a broad range of multiple-field models. The method is efficient and encompasses scenarios with curved field-space metrics, violations of slow-roll conditions and turns of the trajectory in field space. It can be used for an arbitrary mass spectrum, including massive modes and models with quasi-single-field dynamics. In this note we focus on practical issues. It is accompanied by a Mathematica code which can be used to explore suitable models, or as a basis for further development.

Computing observables in curved multifield models of inflation—A guide (with code) to the transport method

International Nuclear Information System (INIS)

Dias, Mafalda; Seery, David; Frazer, Jonathan

2015-01-01

We describe how to apply the transport method to compute inflationary observables in a broad range of multiple-field models. The method is efficient and encompasses scenarios with curved field-space metrics, violations of slow-roll conditions and turns of the trajectory in field space. It can be used for an arbitrary mass spectrum, including massive modes and models with quasi-single-field dynamics. In this note we focus on practical issues. It is accompanied by a Mathematica code which can be used to explore suitable models, or as a basis for further development

Electromagnetic field computation by network methods

CERN Document Server

Felsen, Leopold B; Russer, Peter

2009-01-01

This monograph proposes a systematic and rigorous treatment of electromagnetic field representations in complex structures. The book presents new strong models by combining important computational methods. This is the last book of the late Leopold Felsen.

Computational methods for two-phase flow and particle transport

CERN Document Server

Lee, Wen Ho

2013-01-01

This book describes mathematical formulations and computational methods for solving two-phase flow problems with a computer code that calculates thermal hydraulic problems related to light water and fast breeder reactors. The physical model also handles the particle and gas flow problems that arise from coal gasification and fluidized beds. The second part of this book deals with the computational methods for particle transport.

Computational Modeling of Biological Systems From Molecules to Pathways

CERN Document Server

2012-01-01

Computational modeling is emerging as a powerful new approach for studying and manipulating biological systems. Many diverse methods have been developed to model, visualize, and rationally alter these systems at various length scales, from atomic resolution to the level of cellular pathways. Processes taking place at larger time and length scales, such as molecular evolution, have also greatly benefited from new breeds of computational approaches. Computational Modeling of Biological Systems: From Molecules to Pathways provides an overview of established computational methods for the modeling of biologically and medically relevant systems. It is suitable for researchers and professionals working in the fields of biophysics, computational biology, systems biology, and molecular medicine.

Shroud leakage flow models and a multi-dimensional coupling CFD (computational fluid dynamics) method for shrouded turbines

International Nuclear Information System (INIS)

Zou, Zhengping; Liu, Jingyuan; Zhang, Weihao; Wang, Peng

2016-01-01

Multi-dimensional coupling simulation is an effective approach for evaluating the flow and aero-thermal performance of shrouded turbines, which can balance the simulation accuracy and computing cost effectively. In this paper, 1D leakage models are proposed based on classical jet theories and dynamics equations, which can be used to evaluate most of the main features of shroud leakage flow, including the mass flow rate, radial and circumferential momentum, temperature and the jet width. Then, the 1D models are expanded to 2D distributions on the interface by using a multi-dimensional scaling method. Based on the models and multi-dimensional scaling, a multi-dimensional coupling simulation method for shrouded turbines is developed, in which, some boundary source and sink are set on the interface between the shroud and the main flow passage. To verify the precision, some simulations on the design point and off design points of a 1.5 stage turbine are conducted. It is indicated that the models and methods can give predictions with sufficient accuracy for most of the flow field features and will contribute to pursue deeper understanding and better design methods of shrouded axial turbines, which are the important devices in energy engineering. - Highlights: • Free and wall attached jet theories are used to model the leakage flow in shrouds. • Leakage flow rate is modeled by virtual labyrinth number and residual-energy factor. • A scaling method is applied to 1D model to obtain 2D distributions on interfaces. • A multi-dimensional coupling CFD method for shrouded turbines is proposed. • The proposed coupling method can give accurate predictions with low computing cost.

Investigation of the cluster formation in lithium niobate crystals by computer modeling method

Energy Technology Data Exchange (ETDEWEB)

Voskresenskii, V. M.; Starodub, O. R., E-mail: ol-star@mail.ru; Sidorov, N. V.; Palatnikov, M. N. [Russian Academy of Sciences, Tananaev Institute of Chemistry and Technology of Rare Earth Elements and Mineral Raw Materials, Kola Science Centre (Russian Federation)

2017-03-15

The processes occurring upon the formation of energetically equilibrium oxygen-octahedral clusters in the ferroelectric phase of a stoichiometric lithium niobate (LiNbO{sub 3}) crystal have been investigated by the computer modeling method within the semiclassical atomistic model. An energetically favorable cluster size (at which a structure similar to that of a congruent crystal is organized) is shown to exist. A stoichiometric cluster cannot exist because of the electroneutrality loss. The most energetically favorable cluster is that with a Li/Nb ratio of about 0.945, a value close to the lithium-to-niobium ratio for a congruent crystal.

Zonal methods and computational fluid dynamics

International Nuclear Information System (INIS)

Atta, E.H.

1985-01-01

Recent advances in developing numerical algorithms for solving fluid flow problems, and the continuing improvement in the speed and storage of large scale computers have made it feasible to compute the flow field about complex and realistic configurations. Current solution methods involve the use of a hierarchy of mathematical models ranging from the linearized potential equation to the Navier Stokes equations. Because of the increasing complexity of both the geometries and flowfields encountered in practical fluid flow simulation, there is a growing emphasis in computational fluid dynamics on the use of zonal methods. A zonal method is one that subdivides the total flow region into interconnected smaller regions or zones. The flow solutions in these zones are then patched together to establish the global flow field solution. Zonal methods are primarily used either to limit the complexity of the governing flow equations to a localized region or to alleviate the grid generation problems about geometrically complex and multicomponent configurations. This paper surveys the application of zonal methods for solving the flow field about two and three-dimensional configurations. Various factors affecting their accuracy and ease of implementation are also discussed. From the presented review it is concluded that zonal methods promise to be very effective for computing complex flowfields and configurations. Currently there are increasing efforts to improve their efficiency, versatility, and accuracy

Computational Methods for Physical Model Information Management: Opening the Aperture

International Nuclear Information System (INIS)

Moser, F.; Kirgoeze, R.; Gagne, D.; Calle, D.; Murray, J.; Crowley, J.

2015-01-01

The volume, velocity and diversity of data available to analysts are growing exponentially, increasing the demands on analysts to stay abreast of developments in their areas of investigation. In parallel to the growth in data, technologies have been developed to efficiently process, store, and effectively extract information suitable for the development of a knowledge base capable of supporting inferential (decision logic) reasoning over semantic spaces. These technologies and methodologies, in effect, allow for automated discovery and mapping of information to specific steps in the Physical Model (Safeguard's standard reference of the Nuclear Fuel Cycle). This paper will describe and demonstrate an integrated service under development at the IAEA that utilizes machine learning techniques, computational natural language models, Bayesian methods and semantic/ontological reasoning capabilities to process large volumes of (streaming) information and associate relevant, discovered information to the appropriate process step in the Physical Model. The paper will detail how this capability will consume open source and controlled information sources and be integrated with other capabilities within the analysis environment, and provide the basis for a semantic knowledge base suitable for hosting future mission focused applications. (author)

A novel patient-specific model to compute coronary fractional flow reserve.

Science.gov (United States)

Kwon, Soon-Sung; Chung, Eui-Chul; Park, Jin-Seo; Kim, Gook-Tae; Kim, Jun-Woo; Kim, Keun-Hong; Shin, Eun-Seok; Shim, Eun Bo

2014-09-01

The fractional flow reserve (FFR) is a widely used clinical index to evaluate the functional severity of coronary stenosis. A computer simulation method based on patients' computed tomography (CT) data is a plausible non-invasive approach for computing the FFR. This method can provide a detailed solution for the stenosed coronary hemodynamics by coupling computational fluid dynamics (CFD) with the lumped parameter model (LPM) of the cardiovascular system. In this work, we have implemented a simple computational method to compute the FFR. As this method uses only coronary arteries for the CFD model and includes only the LPM of the coronary vascular system, it provides simpler boundary conditions for the coronary geometry and is computationally more efficient than existing approaches. To test the efficacy of this method, we simulated a three-dimensional straight vessel using CFD coupled with the LPM. The computed results were compared with those of the LPM. To validate this method in terms of clinically realistic geometry, a patient-specific model of stenosed coronary arteries was constructed from CT images, and the computed FFR was compared with clinically measured results. We evaluated the effect of a model aorta on the computed FFR and compared this with a model without the aorta. Computationally, the model without the aorta was more efficient than that with the aorta, reducing the CPU time required for computing a cardiac cycle to 43.4%. Copyright © 2014. Published by Elsevier Ltd.

Computational modeling and engineering in pediatric and congenital heart disease.

Science.gov (United States)

Marsden, Alison L; Feinstein, Jeffrey A

2015-10-01

Recent methodological advances in computational simulations are enabling increasingly realistic simulations of hemodynamics and physiology, driving increased clinical utility. We review recent developments in the use of computational simulations in pediatric and congenital heart disease, describe the clinical impact in modeling in single-ventricle patients, and provide an overview of emerging areas. Multiscale modeling combining patient-specific hemodynamics with reduced order (i.e., mathematically and computationally simplified) circulatory models has become the de-facto standard for modeling local hemodynamics and 'global' circulatory physiology. We review recent advances that have enabled faster solutions, discuss new methods (e.g., fluid structure interaction and uncertainty quantification), which lend realism both computationally and clinically to results, highlight novel computationally derived surgical methods for single-ventricle patients, and discuss areas in which modeling has begun to exert its influence including Kawasaki disease, fetal circulation, tetralogy of Fallot (and pulmonary tree), and circulatory support. Computational modeling is emerging as a crucial tool for clinical decision-making and evaluation of novel surgical methods and interventions in pediatric cardiology and beyond. Continued development of modeling methods, with an eye towards clinical needs, will enable clinical adoption in a wide range of pediatric and congenital heart diseases.

Water demand forecasting: review of soft computing methods.

Science.gov (United States)

Ghalehkhondabi, Iman; Ardjmand, Ehsan; Young, William A; Weckman, Gary R

2017-07-01

Demand forecasting plays a vital role in resource management for governments and private companies. Considering the scarcity of water and its inherent constraints, demand management and forecasting in this domain are critically important. Several soft computing techniques have been developed over the last few decades for water demand forecasting. This study focuses on soft computing methods of water consumption forecasting published between 2005 and 2015. These methods include artificial neural networks (ANNs), fuzzy and neuro-fuzzy models, support vector machines, metaheuristics, and system dynamics. Furthermore, it was discussed that while in short-term forecasting, ANNs have been superior in many cases, but it is still very difficult to pick a single method as the overall best. According to the literature, various methods and their hybrids are applied to water demand forecasting. However, it seems soft computing has a lot more to contribute to water demand forecasting. These contribution areas include, but are not limited, to various ANN architectures, unsupervised methods, deep learning, various metaheuristics, and ensemble methods. Moreover, it is found that soft computing methods are mainly used for short-term demand forecasting.

A model and variance reduction method for computing statistical outputs of stochastic elliptic partial differential equations

International Nuclear Information System (INIS)

Vidal-Codina, F.; Nguyen, N.C.; Giles, M.B.; Peraire, J.

2015-01-01

We present a model and variance reduction method for the fast and reliable computation of statistical outputs of stochastic elliptic partial differential equations. Our method consists of three main ingredients: (1) the hybridizable discontinuous Galerkin (HDG) discretization of elliptic partial differential equations (PDEs), which allows us to obtain high-order accurate solutions of the governing PDE; (2) the reduced basis method for a new HDG discretization of the underlying PDE to enable real-time solution of the parameterized PDE in the presence of stochastic parameters; and (3) a multilevel variance reduction method that exploits the statistical correlation among the different reduced basis approximations and the high-fidelity HDG discretization to accelerate the convergence of the Monte Carlo simulations. The multilevel variance reduction method provides efficient computation of the statistical outputs by shifting most of the computational burden from the high-fidelity HDG approximation to the reduced basis approximations. Furthermore, we develop a posteriori error estimates for our approximations of the statistical outputs. Based on these error estimates, we propose an algorithm for optimally choosing both the dimensions of the reduced basis approximations and the sizes of Monte Carlo samples to achieve a given error tolerance. We provide numerical examples to demonstrate the performance of the proposed method

A Parameter Estimation Method for Dynamic Computational Cognitive Models

NARCIS (Netherlands)

Thilakarathne, D.J.

2015-01-01

A dynamic computational cognitive model can be used to explore a selected complex cognitive phenomenon by providing some features or patterns over time. More specifically, it can be used to simulate, analyse and explain the behaviour of such a cognitive phenomenon. It generates output data in the

A hybrid method for the computation of quasi-3D seismograms.

Science.gov (United States)

Masson, Yder; Romanowicz, Barbara

2013-04-01

The development of powerful computer clusters and efficient numerical computation methods, such as the Spectral Element Method (SEM) made possible the computation of seismic wave propagation in a heterogeneous 3D earth. However, the cost of theses computations is still problematic for global scale tomography that requires hundreds of such simulations. Part of the ongoing research effort is dedicated to the development of faster modeling methods based on the spectral element method. Capdeville et al. (2002) proposed to couple SEM simulations with normal modes calculation (C-SEM). Nissen-Meyer et al. (2007) used 2D SEM simulations to compute 3D seismograms in a 1D earth model. Thanks to these developments, and for the first time, Lekic et al. (2011) developed a 3D global model of the upper mantle using SEM simulations. At the local and continental scale, adjoint tomography that is using a lot of SEM simulation can be implemented on current computers (Tape, Liu et al. 2009). Due to their smaller size, these models offer higher resolution. They provide us with images of the crust and the upper part of the mantle. In an attempt to teleport such local adjoint tomographic inversions into the deep earth, we are developing a hybrid method where SEM computation are limited to a region of interest within the earth. That region can have an arbitrary shape and size. Outside this region, the seismic wavefield is extrapolated to obtain synthetic data at the Earth's surface. A key feature of the method is the use of a time reversal mirror to inject the wavefield induced by distant seismic source into the region of interest (Robertsson and Chapman 2000). We compute synthetic seismograms as follow: Inside the region of interest, we are using regional spectral element software RegSEM to compute wave propagation in 3D. Outside this region, the wavefield is extrapolated to the surface by convolution with the Green's functions from the mirror to the seismic stations. For now, these

Computer-Aided Modeling of Lipid Processing Technology

DEFF Research Database (Denmark)

Diaz Tovar, Carlos Axel

2011-01-01

increase along with growing interest in biofuels, the oleochemical industry faces in the upcoming years major challenges in terms of design and development of better products and more sustainable processes to make them. Computer-aided methods and tools for process synthesis, modeling and simulation...... are widely used for design, analysis, and optimization of processes in the chemical and petrochemical industries. These computer-aided tools have helped the chemical industry to evolve beyond commodities toward specialty chemicals and ‘consumer oriented chemicals based products’. Unfortunately...... to develop systematic computer-aided methods (property models) and tools (database) related to the prediction of the necessary physical properties suitable for design and analysis of processes employing lipid technologies. The methods and tools include: the development of a lipid-database (CAPEC...

Blackboard architecture and qualitative model in a computer aided assistant designed to define computers for HEP computing

International Nuclear Information System (INIS)

Nodarse, F.F.; Ivanov, V.G.

1991-01-01

Using BLACKBOARD architecture and qualitative model, an expert systm was developed to assist the use in defining the computers method for High Energy Physics computing. The COMEX system requires an IBM AT personal computer or compatible with than 640 Kb RAM and hard disk. 5 refs.; 9 figs

Ranked retrieval of Computational Biology models.

Science.gov (United States)

Henkel, Ron; Endler, Lukas; Peters, Andre; Le Novère, Nicolas; Waltemath, Dagmar

2010-08-11

The study of biological systems demands computational support. If targeting a biological problem, the reuse of existing computational models can save time and effort. Deciding for potentially suitable models, however, becomes more challenging with the increasing number of computational models available, and even more when considering the models' growing complexity. Firstly, among a set of potential model candidates it is difficult to decide for the model that best suits ones needs. Secondly, it is hard to grasp the nature of an unknown model listed in a search result set, and to judge how well it fits for the particular problem one has in mind. Here we present an improved search approach for computational models of biological processes. It is based on existing retrieval and ranking methods from Information Retrieval. The approach incorporates annotations suggested by MIRIAM, and additional meta-information. It is now part of the search engine of BioModels Database, a standard repository for computational models. The introduced concept and implementation are, to our knowledge, the first application of Information Retrieval techniques on model search in Computational Systems Biology. Using the example of BioModels Database, it was shown that the approach is feasible and extends the current possibilities to search for relevant models. The advantages of our system over existing solutions are that we incorporate a rich set of meta-information, and that we provide the user with a relevance ranking of the models found for a query. Better search capabilities in model databases are expected to have a positive effect on the reuse of existing models.

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.

Metric-Resolution 2D River Modeling at the Macroscale: Computational Methods and Applications in a Braided River

Directory of Open Access Journals (Sweden)

Jochen eSchubert

2015-11-01

Full Text Available Metric resolution digital terrain models (DTMs of rivers now make it possible for multi-dimensional fluid mechanics models to be applied to characterize flow at fine scales that are relevant to studies of river morphology and ecological habitat, or microscales. These developments are important for managing rivers because of the potential to better understand system dynamics, anthropogenic impacts, and the consequences of proposed interventions. However, the data volumes and computational demands of microscale river modeling have largely constrained applications to small multiples of the channel width, or the mesoscale. This report presents computational methods to extend a microscale river model beyond the mesoscale to the macroscale, defined as large multiples of the channel width. A method of automated unstructured grid generation is presented that automatically clusters fine resolution cells in areas of curvature (e.g., channel banks, and places relatively coarse cells in areas lacking topographic variability. This overcomes the need to manually generate breaklines to constrain the grid, which is painstaking at the mesoscale and virtually impossible at the macroscale. The method is applied to a braided river with an extremely complex channel network configuration and shown to yield an efficient fine resolution model. The sensitivity of model output to grid design and resistance parameters is also examined as it relates to analysis of hydrology, hydraulic geometry and river habitats and the findings reiterate the importance of model calibration and validation.

Computer-aided modeling framework for efficient model development, analysis and identification

DEFF Research Database (Denmark)

Heitzig, Martina; Sin, Gürkan; Sales Cruz, Mauricio

2011-01-01

Model-based computer aided product-process engineering has attained increased importance in a number of industries, including pharmaceuticals, petrochemicals, fine chemicals, polymers, biotechnology, food, energy, and water. This trend is set to continue due to the substantial benefits computer-aided...... methods introduce. The key prerequisite of computer-aided product-process engineering is however the availability of models of different types, forms, and application modes. The development of the models required for the systems under investigation tends to be a challenging and time-consuming task....... The methodology has been implemented into a computer-aided modeling framework, which combines expert skills, tools, and database connections that are required for the different steps of the model development work-flow with the goal to increase the efficiency of the modeling process. The framework has two main...

Computational biology in the cloud: methods and new insights from computing at scale.

Science.gov (United States)

Kasson, Peter M

2013-01-01

The past few years have seen both explosions in the size of biological data sets and the proliferation of new, highly flexible on-demand computing capabilities. The sheer amount of information available from genomic and metagenomic sequencing, high-throughput proteomics, experimental and simulation datasets on molecular structure and dynamics affords an opportunity for greatly expanded insight, but it creates new challenges of scale for computation, storage, and interpretation of petascale data. Cloud computing resources have the potential to help solve these problems by offering a utility model of computing and storage: near-unlimited capacity, the ability to burst usage, and cheap and flexible payment models. Effective use of cloud computing on large biological datasets requires dealing with non-trivial problems of scale and robustness, since performance-limiting factors can change substantially when a dataset grows by a factor of 10,000 or more. New computing paradigms are thus often needed. The use of cloud platforms also creates new opportunities to share data, reduce duplication, and to provide easy reproducibility by making the datasets and computational methods easily available.

Computation of saddle-type slow manifolds using iterative methods

DEFF Research Database (Denmark)

Kristiansen, Kristian Uldall

2015-01-01

with respect to , appropriate estimates are directly attainable using the method of this paper. The method is applied to several examples, including a model for a pair of neurons coupled by reciprocal inhibition with two slow and two fast variables, and the computation of homoclinic connections in the Fitz......This paper presents an alternative approach for the computation of trajectory segments on slow manifolds of saddle type. This approach is based on iterative methods rather than collocation-type methods. Compared to collocation methods, which require mesh refinements to ensure uniform convergence...

Computational methods for a three-dimensional model of the petroleum-discovery process

Science.gov (United States)

Schuenemeyer, J.H.; Bawiec, W.J.; Drew, L.J.

1980-01-01

A discovery-process model devised by Drew, Schuenemeyer, and Root can be used to predict the amount of petroleum to be discovered in a basin from some future level of exploratory effort: the predictions are based on historical drilling and discovery data. Because marginal costs of discovery and production are a function of field size, the model can be used to make estimates of future discoveries within deposit size classes. The modeling approach is a geometric one in which the area searched is a function of the size and shape of the targets being sought. A high correlation is assumed between the surface-projection area of the fields and the volume of petroleum. To predict how much oil remains to be found, the area searched must be computed, and the basin size and discovery efficiency must be estimated. The basin is assumed to be explored randomly rather than by pattern drilling. The model may be used to compute independent estimates of future oil at different depth intervals for a play involving multiple producing horizons. We have written FORTRAN computer programs that are used with Drew, Schuenemeyer, and Root's model to merge the discovery and drilling information and perform the necessary computations to estimate undiscovered petroleum. These program may be modified easily for the estimation of remaining quantities of commodities other than petroleum. ?? 1980.

On the Bayesian calibration of computer model mixtures through experimental data, and the design of predictive models

Science.gov (United States)

Karagiannis, Georgios; Lin, Guang

2017-08-01

For many real systems, several computer models may exist with different physics and predictive abilities. To achieve more accurate simulations/predictions, it is desirable for these models to be properly combined and calibrated. We propose the Bayesian calibration of computer model mixture method which relies on the idea of representing the real system output as a mixture of the available computer model outputs with unknown input dependent weight functions. The method builds a fully Bayesian predictive model as an emulator for the real system output by combining, weighting, and calibrating the available models in the Bayesian framework. Moreover, it fits a mixture of calibrated computer models that can be used by the domain scientist as a mean to combine the available computer models, in a flexible and principled manner, and perform reliable simulations. It can address realistic cases where one model may be more accurate than the others at different input values because the mixture weights, indicating the contribution of each model, are functions of the input. Inference on the calibration parameters can consider multiple computer models associated with different physics. The method does not require knowledge of the fidelity order of the models. We provide a technique able to mitigate the computational overhead due to the consideration of multiple computer models that is suitable to the mixture model framework. We implement the proposed method in a real-world application involving the Weather Research and Forecasting large-scale climate model.

Method-independent, Computationally Frugal Convergence Testing for Sensitivity Analysis Techniques

Science.gov (United States)

Mai, J.; Tolson, B.

2017-12-01

The increasing complexity and runtime of environmental models lead to the current situation that the calibration of all model parameters or the estimation of all of their uncertainty is often computationally infeasible. Hence, techniques to determine the sensitivity of model parameters are used to identify most important parameters. All subsequent model calibrations or uncertainty estimation procedures focus then only on these subsets of parameters and are hence less computational demanding. While the examination of the convergence of calibration and uncertainty methods is state-of-the-art, the convergence of the sensitivity methods is usually not checked. If any, bootstrapping of the sensitivity results is used to determine the reliability of the estimated indexes. Bootstrapping, however, might as well become computationally expensive in case of large model outputs and a high number of bootstraps. We, therefore, present a Model Variable Augmentation (MVA) approach to check the convergence of sensitivity indexes without performing any additional model run. This technique is method- and model-independent. It can be applied either during the sensitivity analysis (SA) or afterwards. The latter case enables the checking of already processed sensitivity indexes. To demonstrate the method's independency of the convergence testing method, we applied it to two widely used, global SA methods: the screening method known as Morris method or Elementary Effects (Morris 1991) and the variance-based Sobol' method (Solbol' 1993). The new convergence testing method is first scrutinized using 12 analytical benchmark functions (Cuntz & Mai et al. 2015) where the true indexes of aforementioned three methods are known. This proof of principle shows that the method reliably determines the uncertainty of the SA results when different budgets are used for the SA. The results show that the new frugal method is able to test the convergence and therefore the reliability of SA results in an

Proceedings of computational methods in materials science

International Nuclear Information System (INIS)

Mark, J.E. Glicksman, M.E.; Marsh, S.P.

1992-01-01

The Symposium on which this volume is based was conceived as a timely expression of some of the fast-paced developments occurring throughout materials science and engineering. It focuses particularly on those involving modern computational methods applied to model and predict the response of materials under a diverse range of physico-chemical conditions. The current easy access of many materials scientists in industry, government laboratories, and academe to high-performance computers has opened many new vistas for predicting the behavior of complex materials under realistic conditions. Some have even argued that modern computational methods in materials science and engineering are literally redefining the bounds of our knowledge from which we predict structure-property relationships, perhaps forever changing the historically descriptive character of the science and much of the engineering

Computer science handbook. Vol. 13.3. Environmental computer science. Computer science methods for environmental protection and environmental research

International Nuclear Information System (INIS)

Page, B.; Hilty, L.M.

1994-01-01

Environmental computer science is a new partial discipline of applied computer science, which makes use of methods and techniques of information processing in environmental protection. Thanks to the inter-disciplinary nature of environmental problems, computer science acts as a mediator between numerous disciplines and institutions in this sector. The handbook reflects the broad spectrum of state-of-the art environmental computer science. The following important subjects are dealt with: Environmental databases and information systems, environmental monitoring, modelling and simulation, visualization of environmental data and knowledge-based systems in the environmental sector. (orig.) [de

Computational models of complex systems

CERN Document Server

Dabbaghian, Vahid

2014-01-01

Computational and mathematical models provide us with the opportunities to investigate the complexities of real world problems. They allow us to apply our best analytical methods to define problems in a clearly mathematical manner and exhaustively test our solutions before committing expensive resources. This is made possible by assuming parameter(s) in a bounded environment, allowing for controllable experimentation, not always possible in live scenarios. For example, simulation of computational models allows the testing of theories in a manner that is both fundamentally deductive and experimental in nature. The main ingredients for such research ideas come from multiple disciplines and the importance of interdisciplinary research is well recognized by the scientific community. This book provides a window to the novel endeavours of the research communities to present their works by highlighting the value of computational modelling as a research tool when investigating complex systems. We hope that the reader...

Computer models for kinetic equations of magnetically confined plasmas

International Nuclear Information System (INIS)

Killeen, J.; Kerbel, G.D.; McCoy, M.G.; Mirin, A.A.; Horowitz, E.J.; Shumaker, D.E.

1987-01-01

This paper presents four working computer models developed by the computational physics group of the National Magnetic Fusion Energy Computer Center. All of the models employ a kinetic description of plasma species. Three of the models are collisional, i.e., they include the solution of the Fokker-Planck equation in velocity space. The fourth model is collisionless and treats the plasma ions by a fully three-dimensional particle-in-cell method

Advanced soft computing diagnosis method for tumour grading.

Science.gov (United States)

Papageorgiou, E I; Spyridonos, P P; Stylios, C D; Ravazoula, P; Groumpos, P P; Nikiforidis, G N

2006-01-01

To develop an advanced diagnostic method for urinary bladder tumour grading. A novel soft computing modelling methodology based on the augmentation of fuzzy cognitive maps (FCMs) with the unsupervised active Hebbian learning (AHL) algorithm is applied. One hundred and twenty-eight cases of urinary bladder cancer were retrieved from the archives of the Department of Histopathology, University Hospital of Patras, Greece. All tumours had been characterized according to the classical World Health Organization (WHO) grading system. To design the FCM model for tumour grading, three experts histopathologists defined the main histopathological features (concepts) and their impact on grade characterization. The resulted FCM model consisted of nine concepts. Eight concepts represented the main histopathological features for tumour grading. The ninth concept represented the tumour grade. To increase the classification ability of the FCM model, the AHL algorithm was applied to adjust the weights of the FCM. The proposed FCM grading model achieved a classification accuracy of 72.5%, 74.42% and 95.55% for tumours of grades I, II and III, respectively. An advanced computerized method to support tumour grade diagnosis decision was proposed and developed. The novelty of the method is based on employing the soft computing method of FCMs to represent specialized knowledge on histopathology and on augmenting FCMs ability using an unsupervised learning algorithm, the AHL. The proposed method performs with reasonably high accuracy compared to other existing methods and at the same time meets the physicians' requirements for transparency and explicability.

In silico toxicology: computational methods for the prediction of chemical toxicity

KAUST Repository

Raies, Arwa B.; Bajic, Vladimir B.

2016-01-01

Determining the toxicity of chemicals is necessary to identify their harmful effects on humans, animals, plants, or the environment. It is also one of the main steps in drug design. Animal models have been used for a long time for toxicity testing. However, in vivo animal tests are constrained by time, ethical considerations, and financial burden. Therefore, computational methods for estimating the toxicity of chemicals are considered useful. In silico toxicology is one type of toxicity assessment that uses computational methods to analyze, simulate, visualize, or predict the toxicity of chemicals. In silico toxicology aims to complement existing toxicity tests to predict toxicity, prioritize chemicals, guide toxicity tests, and minimize late-stage failures in drugs design. There are various methods for generating models to predict toxicity endpoints. We provide a comprehensive overview, explain, and compare the strengths and weaknesses of the existing modeling methods and algorithms for toxicity prediction with a particular (but not exclusive) emphasis on computational tools that can implement these methods and refer to expert systems that deploy the prediction models. Finally, we briefly review a number of new research directions in in silico toxicology and provide recommendations for designing in silico models.

In silico toxicology: computational methods for the prediction of chemical toxicity

KAUST Repository

Raies, Arwa B.

2016-01-06

Determining the toxicity of chemicals is necessary to identify their harmful effects on humans, animals, plants, or the environment. It is also one of the main steps in drug design. Animal models have been used for a long time for toxicity testing. However, in vivo animal tests are constrained by time, ethical considerations, and financial burden. Therefore, computational methods for estimating the toxicity of chemicals are considered useful. In silico toxicology is one type of toxicity assessment that uses computational methods to analyze, simulate, visualize, or predict the toxicity of chemicals. In silico toxicology aims to complement existing toxicity tests to predict toxicity, prioritize chemicals, guide toxicity tests, and minimize late-stage failures in drugs design. There are various methods for generating models to predict toxicity endpoints. We provide a comprehensive overview, explain, and compare the strengths and weaknesses of the existing modeling methods and algorithms for toxicity prediction with a particular (but not exclusive) emphasis on computational tools that can implement these methods and refer to expert systems that deploy the prediction models. Finally, we briefly review a number of new research directions in in silico toxicology and provide recommendations for designing in silico models.

Quantitative Assessment of Optical Coherence Tomography Imaging Performance with Phantom-Based Test Methods And Computational Modeling

Science.gov (United States)

Agrawal, Anant

Optical coherence tomography (OCT) is a powerful medical imaging modality that uniquely produces high-resolution cross-sectional images of tissue using low energy light. Its clinical applications and technological capabilities have grown substantially since its invention about twenty years ago, but efforts have been limited to develop tools to assess performance of OCT devices with respect to the quality and content of acquired images. Such tools are important to ensure information derived from OCT signals and images is accurate and consistent, in order to support further technology development, promote standardization, and benefit public health. The research in this dissertation investigates new physical and computational models which can provide unique insights into specific performance characteristics of OCT devices. Physical models, known as phantoms, are fabricated and evaluated in the interest of establishing standardized test methods to measure several important quantities relevant to image quality. (1) Spatial resolution is measured with a nanoparticle-embedded phantom and model eye which together yield the point spread function under conditions where OCT is commonly used. (2) A multi-layered phantom is constructed to measure the contrast transfer function along the axis of light propagation, relevant for cross-sectional imaging capabilities. (3) Existing and new methods to determine device sensitivity are examined and compared, to better understand the detection limits of OCT. A novel computational model based on the finite-difference time-domain (FDTD) method, which simulates the physics of light behavior at the sub-microscopic level within complex, heterogeneous media, is developed to probe device and tissue characteristics influencing the information content of an OCT image. This model is first tested in simple geometric configurations to understand its accuracy and limitations, then a highly realistic representation of a biological cell, the retinal

Computational neurogenetic modeling

CERN Document Server

Benuskova, Lubica

2010-01-01

Computational Neurogenetic Modeling is a student text, introducing the scope and problems of a new scientific discipline - Computational Neurogenetic Modeling (CNGM). CNGM is concerned with the study and development of dynamic neuronal models for modeling brain functions with respect to genes and dynamic interactions between genes. These include neural network models and their integration with gene network models. This new area brings together knowledge from various scientific disciplines, such as computer and information science, neuroscience and cognitive science, genetics and molecular biol

A performance model for the communication in fast multipole methods on high-performance computing platforms

KAUST Repository

Ibeid, Huda

2016-03-04

Exascale systems are predicted to have approximately 1 billion cores, assuming gigahertz cores. Limitations on affordable network topologies for distributed memory systems of such massive scale bring new challenges to the currently dominant parallel programing model. Currently, there are many efforts to evaluate the hardware and software bottlenecks of exascale designs. It is therefore of interest to model application performance and to understand what changes need to be made to ensure extrapolated scalability. The fast multipole method (FMM) was originally developed for accelerating N-body problems in astrophysics and molecular dynamics but has recently been extended to a wider range of problems. Its high arithmetic intensity combined with its linear complexity and asynchronous communication patterns make it a promising algorithm for exascale systems. In this paper, we discuss the challenges for FMM on current parallel computers and future exascale architectures, with a focus on internode communication. We focus on the communication part only; the efficiency of the computational kernels are beyond the scope of the present study. We develop a performance model that considers the communication patterns of the FMM and observe a good match between our model and the actual communication time on four high-performance computing (HPC) systems, when latency, bandwidth, network topology, and multicore penalties are all taken into account. To our knowledge, this is the first formal characterization of internode communication in FMM that validates the model against actual measurements of communication time. The ultimate communication model is predictive in an absolute sense; however, on complex systems, this objective is often out of reach or of a difficulty out of proportion to its benefit when there exists a simpler model that is inexpensive and sufficient to guide coding decisions leading to improved scaling. The current model provides such guidance.

Ch. 33 Modeling: Computational Thermodynamics

International Nuclear Information System (INIS)

Besmann, Theodore M.

2012-01-01

This chapter considers methods and techniques for computational modeling for nuclear materials with a focus on fuels. The basic concepts for chemical thermodynamics are described and various current models for complex crystalline and liquid phases are illustrated. Also included are descriptions of available databases for use in chemical thermodynamic studies and commercial codes for performing complex equilibrium calculations.

Delamination detection using methods of computational intelligence

Science.gov (United States)

Ihesiulor, Obinna K.; Shankar, Krishna; Zhang, Zhifang; Ray, Tapabrata

2012-11-01

Abstract Reliable delamination prediction scheme is indispensable in order to prevent potential risks of catastrophic failures in composite structures. The existence of delaminations changes the vibration characteristics of composite laminates and hence such indicators can be used to quantify the health characteristics of laminates. An approach for online health monitoring of in-service composite laminates is presented in this paper that relies on methods based on computational intelligence. Typical changes in the observed vibration characteristics (i.e. change in natural frequencies) are considered as inputs to identify the existence, location and magnitude of delaminations. The performance of the proposed approach is demonstrated using numerical models of composite laminates. Since this identification problem essentially involves the solution of an optimization problem, the use of finite element (FE) methods as the underlying tool for analysis turns out to be computationally expensive. A surrogate assisted optimization approach is hence introduced to contain the computational time within affordable limits. An artificial neural network (ANN) model with Bayesian regularization is used as the underlying approximation scheme while an improved rate of convergence is achieved using a memetic algorithm. However, building of ANN surrogate models usually requires large training datasets. K-means clustering is effectively employed to reduce the size of datasets. ANN is also used via inverse modeling to determine the position, size and location of delaminations using changes in measured natural frequencies. The results clearly highlight the efficiency and the robustness of the approach.

PREFACE: 4th Workshop on Theory, Modelling and Computational Methods for Semiconductors (TMCSIV)

Science.gov (United States)

Tomić, Stanko; Probert, Matt; Migliorato, Max; Pal, Joydeep

2014-06-01

These conference proceedings contain the written papers of the contributions presented at the 4th International Conference on Theory, Modelling and Computational Methods for Semiconductor materials and nanostructures. The conference was held at the MediaCityUK, University of Salford, Manchester, UK on 22-24 January 2014. The previous conferences in this series took place in 2012 at the University of Leeds, in 2010 at St William's College, York and in 2008 at the University of Manchester, UK. The development of high-performance computer architectures is finally allowing the routine use of accurate methods for calculating the structural, thermodynamic, vibrational, optical and electronic properties of semiconductors and their hetero- and nano-structures. The scope of this conference embraces modelling, theory and the use of sophisticated computational tools in semiconductor science and technology, where there is substantial potential for time-saving in R&D. Theoretical approaches represented in this meeting included: Density Functional Theory, Semi-empirical Electronic Structure Methods, Multi-scale Approaches, Modelling of PV devices, Electron Transport, and Graphene. Topics included, but were not limited to: Optical Properties of Quantum Nanostructures including Colloids and Nanotubes, Plasmonics, Magnetic Semiconductors, Photonic Structures, and Electronic Devices. This workshop ran for three days, with the objective of bringing together UK and international leading experts in the theoretical modelling of Group IV, III-V and II-VI semiconductors, as well as students, postdocs and early-career researchers. The first day focused on providing an introduction and overview of this vast field, aimed particularly at students, with several lectures given by recognized experts in various theoretical approaches. The following two days showcased some of the best theoretical research carried out in the UK in this field, with several contributions also from representatives of

Mathematical modeling and computational intelligence in engineering applications

CERN Document Server

Silva Neto, Antônio José da; Silva, Geraldo Nunes

2016-01-01

This book brings together a rich selection of studies in mathematical modeling and computational intelligence, with application in several fields of engineering, like automation, biomedical, chemical, civil, electrical, electronic, geophysical and mechanical engineering, on a multidisciplinary approach. Authors from five countries and 16 different research centers contribute with their expertise in both the fundamentals and real problems applications based upon their strong background on modeling and computational intelligence. The reader will find a wide variety of applications, mathematical and computational tools and original results, all presented with rigorous mathematical procedures. This work is intended for use in graduate courses of engineering, applied mathematics and applied computation where tools as mathematical and computational modeling, numerical methods and computational intelligence are applied to the solution of real problems.

Geometric and computer-aided spline hob modeling

Science.gov (United States)

Brailov, I. G.; Myasoedova, T. M.; Panchuk, K. L.; Krysova, I. V.; Rogoza, YU A.

2018-03-01

The paper considers acquiring the spline hob geometric model. The objective of the research is the development of a mathematical model of spline hob for spline shaft machining. The structure of the spline hob is described taking into consideration the motion in parameters of the machine tool system of cutting edge positioning and orientation. Computer-aided study is performed with the use of CAD and on the basis of 3D modeling methods. Vector representation of cutting edge geometry is accepted as the principal method of spline hob mathematical model development. The paper defines the correlations described by parametric vector functions representing helical cutting edges designed for spline shaft machining with consideration for helical movement in two dimensions. An application for acquiring the 3D model of spline hob is developed on the basis of AutoLISP for AutoCAD environment. The application presents the opportunity for the use of the acquired model for milling process imitation. An example of evaluation, analytical representation and computer modeling of the proposed geometrical model is reviewed. In the mentioned example, a calculation of key spline hob parameters assuring the capability of hobbing a spline shaft of standard design is performed. The polygonal and solid spline hob 3D models are acquired by the use of imitational computer modeling.

Computationally efficient dynamic modeling of robot manipulators with multiple flexible-links using acceleration-based discrete time transfer matrix method

DEFF Research Database (Denmark)

Zhang, Xuping; Sørensen, Rasmus; RahbekIversen, Mathias

2018-01-01

This paper presents a novel and computationally efficient modeling method for the dynamics of flexible-link robot manipulators. In this method, a robot manipulator is decomposed into components/elements. The component/element dynamics is established using Newton–Euler equations, and then is linea......This paper presents a novel and computationally efficient modeling method for the dynamics of flexible-link robot manipulators. In this method, a robot manipulator is decomposed into components/elements. The component/element dynamics is established using Newton–Euler equations......, and then is linearized based on the acceleration-based state vector. The transfer matrices for each type of components/elements are developed, and used to establish the system equations of a flexible robot manipulator by concatenating the state vector from the base to the end-effector. With this strategy, the size...... manipulators, and only involves calculating and transferring component/element dynamic equations that have small size. The numerical simulations and experimental testing of flexible-link manipulators are conducted to validate the proposed methodologies....

Introducing Seismic Tomography with Computational Modeling

Science.gov (United States)

Neves, R.; Neves, M. L.; Teodoro, V.

2011-12-01

Learning seismic tomography principles and techniques involves advanced physical and computational knowledge. In depth learning of such computational skills is a difficult cognitive process that requires a strong background in physics, mathematics and computer programming. The corresponding learning environments and pedagogic methodologies should then involve sets of computational modelling activities with computer software systems which allow students the possibility to improve their mathematical or programming knowledge and simultaneously focus on the learning of seismic wave propagation and inverse theory. To reduce the level of cognitive opacity associated with mathematical or programming knowledge, several computer modelling systems have already been developed (Neves & Teodoro, 2010). Among such systems, Modellus is particularly well suited to achieve this goal because it is a domain general environment for explorative and expressive modelling with the following main advantages: 1) an easy and intuitive creation of mathematical models using just standard mathematical notation; 2) the simultaneous exploration of images, tables, graphs and object animations; 3) the attribution of mathematical properties expressed in the models to animated objects; and finally 4) the computation and display of mathematical quantities obtained from the analysis of images and graphs. Here we describe virtual simulations and educational exercises which enable students an easy grasp of the fundamental of seismic tomography. The simulations make the lecture more interactive and allow students the possibility to overcome their lack of advanced mathematical or programming knowledge and focus on the learning of seismological concepts and processes taking advantage of basic scientific computation methods and tools.

An Improved Computing Method for 3D Mechanical Connectivity Rates Based on a Polyhedral Simulation Model of Discrete Fracture Network in Rock Masses

Science.gov (United States)

Li, Mingchao; Han, Shuai; Zhou, Sibao; Zhang, Ye

2018-06-01

Based on a 3D model of a discrete fracture network (DFN) in a rock mass, an improved projective method for computing the 3D mechanical connectivity rate was proposed. The Monte Carlo simulation method, 2D Poisson process and 3D geological modeling technique were integrated into a polyhedral DFN modeling approach, and the simulation results were verified by numerical tests and graphical inspection. Next, the traditional projective approach for calculating the rock mass connectivity rate was improved using the 3D DFN models by (1) using the polyhedral model to replace the Baecher disk model; (2) taking the real cross section of the rock mass, rather than a part of the cross section, as the test plane; and (3) dynamically searching the joint connectivity rates using different dip directions and dip angles at different elevations to calculate the maximum, minimum and average values of the joint connectivity at each elevation. In a case study, the improved method and traditional method were used to compute the mechanical connectivity rate of the slope of a dam abutment. The results of the two methods were further used to compute the cohesive force of the rock masses. Finally, a comparison showed that the cohesive force derived from the traditional method had a higher error, whereas the cohesive force derived from the improved method was consistent with the suggested values. According to the comparison, the effectivity and validity of the improved method were verified indirectly.

Computational Modeling | Bioenergy | NREL

Science.gov (United States)

cell walls and are the source of biofuels and biomaterials. Our modeling investigates their properties . Quantum Mechanical Models NREL studies chemical and electronic properties and processes to reduce barriers Computational Modeling Computational Modeling NREL uses computational modeling to increase the

Life system modeling and intelligent computing. Pt. I. Proceedings

Energy Technology Data Exchange (ETDEWEB)

Li, Kang; Irwin, George W. (eds.) [Belfast Queen' s Univ. (United Kingdom). School of Electronics, Electrical Engineering and Computer Science; Fei, Minrui; Jia, Li [Shanghai Univ. (China). School of Mechatronical Engineering and Automation

2010-07-01

This book is part I of a two-volume work that contains the refereed proceedings of the International Conference on Life System Modeling and Simulation, LSMS 2010 and the International Conference on Intelligent Computing for Sustainable Energy and Environment, ICSEE 2010, held in Wuxi, China, in September 2010. The 194 revised full papers presented were carefully reviewed and selected from over 880 submissions and recommended for publication by Springer in two volumes of Lecture Notes in Computer Science (LNCS) and one volume of Lecture Notes in Bioinformatics (LNBI). This particular volume of Lecture Notes in Computer Science (LNCS) includes 55 papers covering 7 relevant topics. The 55 papers in this volume are organized in topical sections on intelligent modeling, monitoring, and control of complex nonlinear systems; autonomy-oriented computing and intelligent agents; advanced theory and methodology in fuzzy systems and soft computing; computational intelligence in utilization of clean and renewable energy resources; intelligent modeling, control and supervision for energy saving and pollution reduction; intelligent methods in developing vehicles, engines and equipments; computational methods and intelligence in modeling genetic and biochemical networks and regulation. (orig.)

Applications of meshless methods for damage computations with finite strains

International Nuclear Information System (INIS)

Pan Xiaofei; Yuan Huang

2009-01-01

Material defects such as cavities have great effects on the damage process in ductile materials. Computations based on finite element methods (FEMs) often suffer from instability due to material failure as well as large distortions. To improve computational efficiency and robustness the element-free Galerkin (EFG) method is applied in the micro-mechanical constitute damage model proposed by Gurson and modified by Tvergaard and Needleman (the GTN damage model). The EFG algorithm is implemented in the general purpose finite element code ABAQUS via the user interface UEL. With the help of the EFG method, damage processes in uniaxial tension specimens and notched specimens are analyzed and verified with experimental data. Computational results reveal that the damage which takes place in the interior of specimens will extend to the exterior and cause fracture of specimens; the damage is a fast procedure relative to the whole tensing process. The EFG method provides more stable and robust numerical solution in comparing with the FEM analysis

Computer methods for transient fluid-structure analysis of nuclear reactors

International Nuclear Information System (INIS)

Belytschko, T.; Liu, W.K.

1985-01-01

Fluid-structure interaction problems in nuclear engineering are categorized according to the dominant physical phenomena and the appropriate computational methods. Linear fluid models that are considered include acoustic fluids, incompressible fluids undergoing small disturbances, and small amplitude sloshing. Methods available in general-purpose codes for these linear fluid problems are described. For nonlinear fluid problems, the major features of alternative computational treatments are reviewed; some special-purpose and multipurpose computer codes applicable to these problems are then described. For illustration, some examples of nuclear reactor problems that entail coupled fluid-structure analysis are described along with computational results

Computational Intelligence, Cyber Security and Computational Models

CERN Document Server

Anitha, R; Lekshmi, R; Kumar, M; Bonato, Anthony; Graña, Manuel

2014-01-01

This book contains cutting-edge research material presented by researchers, engineers, developers, and practitioners from academia and industry at the International Conference on Computational Intelligence, Cyber Security and Computational Models (ICC3) organized by PSG College of Technology, Coimbatore, India during December 19–21, 2013. The materials in the book include theory and applications for design, analysis, and modeling of computational intelligence and security. The book will be useful material for students, researchers, professionals, and academicians. It will help in understanding current research trends and findings and future scope of research in computational intelligence, cyber security, and computational models.

Computer modeling in free spreadsheets OpenOffice.Calc as one of the modern methods of teaching physics and mathematics cycle subjects in primary and secondary schools

Directory of Open Access Journals (Sweden)

Markushevich M.V.

2016-10-01

Full Text Available the article details the use of such modern method of training as computer simulation applied to modelling of various kinds of mechanical motion of a material point in the free spreadsheet OpenOffice.org Calc while designing physics and computer science lessons in primary and secondary schools. Particular attention is paid to the application of computer modeling integrated with other modern teaching methods.

A method of computer aided design with self-generative models in NX Siemens environment

Science.gov (United States)

Grabowik, C.; Kalinowski, K.; Kempa, W.; Paprocka, I.

2015-11-01

Currently in CAD/CAE/CAM systems it is possible to create 3D design virtual models which are able to capture certain amount of knowledge. These models are especially useful in an automation of routine design tasks. These models are known as self-generative or auto generative and they can behave in an intelligent way. The main difference between the auto generative and fully parametric models consists in the auto generative models ability to self-organizing. In this case design model self-organizing means that aside from the possibility of making of automatic changes of model quantitative features these models possess knowledge how these changes should be made. Moreover they are able to change quality features according to specific knowledge. In spite of undoubted good points of self-generative models they are not so often used in design constructional process which is mainly caused by usually great complexity of these models. This complexity makes the process of self-generative time and labour consuming. It also needs a quite great investment outlays. The creation process of self-generative model consists of the three stages it is knowledge and information acquisition, model type selection and model implementation. In this paper methods of the computer aided design with self-generative models in NX Siemens CAD/CAE/CAM software are presented. There are the five methods of self-generative models preparation in NX with: parametric relations model, part families, GRIP language application, knowledge fusion and OPEN API mechanism. In the paper examples of each type of the self-generative model are presented. These methods make the constructional design process much faster. It is suggested to prepare this kind of self-generative models when there is a need of design variants creation. The conducted research on assessing the usefulness of elaborated models showed that they are highly recommended in case of routine tasks automation. But it is still difficult to distinguish

Notions of similarity for computational biology models

KAUST Repository

Waltemath, Dagmar

2016-03-21

Computational models used in biology are rapidly increasing in complexity, size, and numbers. To build such large models, researchers need to rely on software tools for model retrieval, model combination, and version control. These tools need to be able to quantify the differences and similarities between computational models. However, depending on the specific application, the notion of similarity may greatly vary. A general notion of model similarity, applicable to various types of models, is still missing. Here, we introduce a general notion of quantitative model similarities, survey the use of existing model comparison methods in model building and management, and discuss potential applications of model comparison. To frame model comparison as a general problem, we describe a theoretical approach to defining and computing similarities based on different model aspects. Potentially relevant aspects of a model comprise its references to biological entities, network structure, mathematical equations and parameters, and dynamic behaviour. Future similarity measures could combine these model aspects in flexible, problem-specific ways in order to mimic users\\' intuition about model similarity, and to support complex model searches in databases.

Notions of similarity for computational biology models

KAUST Repository

Waltemath, Dagmar; Henkel, Ron; Hoehndorf, Robert; Kacprowski, Tim; Knuepfer, Christian; Liebermeister, Wolfram

2016-01-01

Computational models used in biology are rapidly increasing in complexity, size, and numbers. To build such large models, researchers need to rely on software tools for model retrieval, model combination, and version control. These tools need to be able to quantify the differences and similarities between computational models. However, depending on the specific application, the notion of similarity may greatly vary. A general notion of model similarity, applicable to various types of models, is still missing. Here, we introduce a general notion of quantitative model similarities, survey the use of existing model comparison methods in model building and management, and discuss potential applications of model comparison. To frame model comparison as a general problem, we describe a theoretical approach to defining and computing similarities based on different model aspects. Potentially relevant aspects of a model comprise its references to biological entities, network structure, mathematical equations and parameters, and dynamic behaviour. Future similarity measures could combine these model aspects in flexible, problem-specific ways in order to mimic users' intuition about model similarity, and to support complex model searches in databases.

GRAVTool, a Package to Compute Geoid Model by Remove-Compute-Restore Technique

Science.gov (United States)

Marotta, G. S.; Blitzkow, D.; Vidotti, R. M.

2015-12-01

Currently, there are several methods to determine geoid models. They can be based on terrestrial gravity data, geopotential coefficients, astro-geodetic data or a combination of them. Among the techniques to compute a precise geoid model, the Remove-Compute-Restore (RCR) has been widely applied. It considers short, medium and long wavelengths derived from altitude data provided by Digital Terrain Models (DTM), terrestrial gravity data and global geopotential coefficients, respectively. In order to apply this technique, it is necessary to create procedures that compute gravity anomalies and geoid models, by the integration of different wavelengths, and that adjust these models to one local vertical datum. This research presents a developed package called GRAVTool based on MATLAB software to compute local geoid models by RCR technique and its application in a study area. The studied area comprehends the federal district of Brazil, with ~6000 km², wavy relief, heights varying from 600 m to 1340 m, located between the coordinates 48.25ºW, 15.45ºS and 47.33ºW, 16.06ºS. The results of the numerical example on the studied area show the local geoid model computed by the GRAVTool package (Figure), using 1377 terrestrial gravity data, SRTM data with 3 arc second of resolution, and geopotential coefficients of the EIGEN-6C4 model to degree 360. The accuracy of the computed model (σ = ± 0.071 m, RMS = 0.069 m, maximum = 0.178 m and minimum = -0.123 m) matches the uncertainty (σ =± 0.073) of 21 points randomly spaced where the geoid was computed by geometrical leveling technique supported by positioning GNSS. The results were also better than those achieved by Brazilian official regional geoid model (σ = ± 0.099 m, RMS = 0.208 m, maximum = 0.419 m and minimum = -0.040 m).

Improved computation method in residual life estimation of structural components

Directory of Open Access Journals (Sweden)

Maksimović Stevan M.

2013-01-01

Full Text Available This work considers the numerical computation methods and procedures for the fatigue crack growth predicting of cracked notched structural components. Computation method is based on fatigue life prediction using the strain energy density approach. Based on the strain energy density (SED theory, a fatigue crack growth model is developed to predict the lifetime of fatigue crack growth for single or mixed mode cracks. The model is based on an equation expressed in terms of low cycle fatigue parameters. Attention is focused on crack growth analysis of structural components under variable amplitude loads. Crack growth is largely influenced by the effect of the plastic zone at the front of the crack. To obtain efficient computation model plasticity-induced crack closure phenomenon is considered during fatigue crack growth. The use of the strain energy density method is efficient for fatigue crack growth prediction under cyclic loading in damaged structural components. Strain energy density method is easy for engineering applications since it does not require any additional determination of fatigue parameters (those would need to be separately determined for fatigue crack propagation phase, and low cyclic fatigue parameters are used instead. Accurate determination of fatigue crack closure has been a complex task for years. The influence of this phenomenon can be considered by means of experimental and numerical methods. Both of these models are considered. Finite element analysis (FEA has been shown to be a powerful and useful tool1,6 to analyze crack growth and crack closure effects. Computation results are compared with available experimental results. [Projekat Ministarstva nauke Republike Srbije, br. OI 174001

Evolutionary Computation Methods and their applications in Statistics

Directory of Open Access Journals (Sweden)

Francesco Battaglia

2013-05-01

Full Text Available A brief discussion of the genesis of evolutionary computation methods, their relationship to artificial intelligence, and the contribution of genetics and Darwin’s theory of natural evolution is provided. Then, the main evolutionary computation methods are illustrated: evolution strategies, genetic algorithms, estimation of distribution algorithms, differential evolution, and a brief description of some evolutionary behavior methods such as ant colony and particle swarm optimization. We also discuss the role of the genetic algorithm for multivariate probability distribution random generation, rather than as a function optimizer. Finally, some relevant applications of genetic algorithm to statistical problems are reviewed: selection of variables in regression, time series model building, outlier identification, cluster analysis, design of experiments.

Two-parametric model of electron beam in computational dosimetry for radiation processing

International Nuclear Information System (INIS)

Lazurik, V.M.; Lazurik, V.T.; Popov, G.; Zimek, Z.

2016-01-01

Computer simulation of irradiation process of various materials with electron beam (EB) can be applied to correct and control the performances of radiation processing installations. Electron beam energy measurements methods are described in the international standards. The obtained results of measurements can be extended by implementation computational dosimetry. Authors have developed the computational method for determination of EB energy on the base of two-parametric fitting of semi-empirical model for the depth dose distribution initiated by mono-energetic electron beam. The analysis of number experiments show that described method can effectively consider random displacements arising from the use of aluminum wedge with a continuous strip of dosimetric film and minimize the magnitude uncertainty value of the electron energy evaluation, calculated from the experimental data. Two-parametric fitting method is proposed for determination of the electron beam model parameters. These model parameters are as follow: E 0 – energy mono-energetic and mono-directional electron source, X 0 – the thickness of the aluminum layer, located in front of irradiated object. That allows obtain baseline data related to the characteristic of the electron beam, which can be later on applied for computer modeling of the irradiation process. Model parameters which are defined in the international standards (like E p – the most probably energy and R p – practical range) can be linked with characteristics of two-parametric model (E 0 , X 0 ), which allows to simulate the electron irradiation process. The obtained data from semi-empirical model were checked together with the set of experimental results. The proposed two-parametric model for electron beam energy evaluation and estimation of accuracy for computational dosimetry methods on the base of developed model are discussed. - Highlights: • Experimental and computational methods of electron energy evaluation. • Development

Predictive modeling of liquid-sodium thermal–hydraulics experiments and computations

International Nuclear Information System (INIS)

Arslan, Erkan; Cacuci, Dan G.

2014-01-01

Highlights: • We applied the predictive modeling method of Cacuci and Ionescu-Bujor (2010). • We assimilated data from sodium flow experiments. • We used computational fluid dynamics simulations of sodium experiments. • The predictive modeling method greatly reduced uncertainties in predicted results. - Abstract: This work applies the predictive modeling procedure formulated by Cacuci and Ionescu-Bujor (2010) to assimilate data from liquid-sodium thermal–hydraulics experiments in order to reduce systematically the uncertainties in the predictions of computational fluid dynamics (CFD) simulations. The predicted CFD-results for the best-estimate model parameters and results describing sodium-flow velocities and temperature distributions are shown to be significantly more precise than the original computations and experiments, in that the predicted uncertainties for the best-estimate results and model parameters are significantly smaller than both the originally computed and the experimental uncertainties

Understanding Emergency Care Delivery Through Computer Simulation Modeling.

Science.gov (United States)

Laker, Lauren F; Torabi, Elham; France, Daniel J; Froehle, Craig M; Goldlust, Eric J; Hoot, Nathan R; Kasaie, Parastu; Lyons, Michael S; Barg-Walkow, Laura H; Ward, Michael J; Wears, Robert L

2018-02-01

In 2017, Academic Emergency Medicine convened a consensus conference entitled, "Catalyzing System Change through Health Care Simulation: Systems, Competency, and Outcomes." This article, a product of the breakout session on "understanding complex interactions through systems modeling," explores the role that computer simulation modeling can and should play in research and development of emergency care delivery systems. This article discusses areas central to the use of computer simulation modeling in emergency care research. The four central approaches to computer simulation modeling are described (Monte Carlo simulation, system dynamics modeling, discrete-event simulation, and agent-based simulation), along with problems amenable to their use and relevant examples to emergency care. Also discussed is an introduction to available software modeling platforms and how to explore their use for research, along with a research agenda for computer simulation modeling. Through this article, our goal is to enhance adoption of computer simulation, a set of methods that hold great promise in addressing emergency care organization and design challenges. © 2017 by the Society for Academic Emergency Medicine.

Choosing Learning Methods Suitable for Teaching and Learning in Computer Science

Science.gov (United States)

Taylor, Estelle; Breed, Marnus; Hauman, Ilette; Homann, Armando

2013-01-01

Our aim is to determine which teaching methods students in Computer Science and Information Systems prefer. There are in total 5 different paradigms (behaviorism, cognitivism, constructivism, design-based and humanism) with 32 models between them. Each model is unique and states different learning methods. Recommendations are made on methods that…

Multiscale methods in turbulent combustion: strategies and computational challenges

International Nuclear Information System (INIS)

Echekki, Tarek

2009-01-01

A principal challenge in modeling turbulent combustion flows is associated with their complex, multiscale nature. Traditional paradigms in the modeling of these flows have attempted to address this nature through different strategies, including exploiting the separation of turbulence and combustion scales and a reduced description of the composition space. The resulting moment-based methods often yield reasonable predictions of flow and reactive scalars' statistics under certain conditions. However, these methods must constantly evolve to address combustion at different regimes, modes or with dominant chemistries. In recent years, alternative multiscale strategies have emerged, which although in part inspired by the traditional approaches, also draw upon basic tools from computational science, applied mathematics and the increasing availability of powerful computational resources. This review presents a general overview of different strategies adopted for multiscale solutions of turbulent combustion flows. Within these strategies, some specific models are discussed or outlined to illustrate their capabilities and underlying assumptions. These strategies may be classified under four different classes, including (i) closure models for atomistic processes, (ii) multigrid and multiresolution strategies, (iii) flame-embedding strategies and (iv) hybrid large-eddy simulation-low-dimensional strategies. A combination of these strategies and models can potentially represent a robust alternative strategy to moment-based models; but a significant challenge remains in the development of computational frameworks for these approaches as well as their underlying theories. (topical review)

Hybrid computer modelling in plasma physics

International Nuclear Information System (INIS)

Hromadka, J; Ibehej, T; Hrach, R

2016-01-01

Our contribution is devoted to development of hybrid modelling techniques. We investigate sheath structures in the vicinity of solids immersed in low temperature argon plasma of different pressures by means of particle and fluid computer models. We discuss the differences in results obtained by these methods and try to propose a way to improve the results of fluid models in the low pressure area. There is a possibility to employ Chapman-Enskog method to find appropriate closure relations of fluid equations in a case when particle distribution function is not Maxwellian. We try to follow this way to enhance fluid model and to use it in hybrid plasma model further. (paper)

A computationally efficient method for full-core conjugate heat transfer modeling of sodium fast reactors

Energy Technology Data Exchange (ETDEWEB)

Hu, Rui, E-mail: rhu@anl.gov; Yu, Yiqi

2016-11-15

Highlights: • Developed a computationally efficient method for full-core conjugate heat transfer modeling of sodium fast reactors. • Applied fully-coupled JFNK solution scheme to avoid the operator-splitting errors. • The accuracy and efficiency of the method is confirmed with a 7-assembly test problem. • The effects of different spatial discretization schemes are investigated and compared to the RANS-based CFD simulations. - Abstract: For efficient and accurate temperature predictions of sodium fast reactor structures, a 3-D full-core conjugate heat transfer modeling capability is developed for an advanced system analysis tool, SAM. The hexagon lattice core is modeled with 1-D parallel channels representing the subassembly flow, and 2-D duct walls and inter-assembly gaps. The six sides of the hexagon duct wall and near-wall coolant region are modeled separately to account for different temperatures and heat transfer between coolant flow and each side of the duct wall. The Jacobian Free Newton Krylov (JFNK) solution method is applied to solve the fluid and solid field simultaneously in a fully coupled fashion. The 3-D full-core conjugate heat transfer modeling capability in SAM has been demonstrated by a verification test problem with 7 fuel assemblies in a hexagon lattice layout. Additionally, the SAM simulation results are compared with RANS-based CFD simulations. Very good agreements have been achieved between the results of the two approaches.

Multiscale methods in computational fluid and solid mechanics

NARCIS (Netherlands)

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

2006-01-01

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

Computing homography with RANSAC algorithm: a novel method of registration

Science.gov (United States)

Li, Xiaowei; Liu, Yue; Wang, Yongtian; Yan, Dayuan

2005-02-01

An AR (Augmented Reality) system can integrate computer-generated objects with the image sequences of real world scenes in either an off-line or a real-time way. Registration, or camera pose estimation, is one of the key techniques to determine its performance. The registration methods can be classified as model-based and move-matching. The former approach can accomplish relatively accurate registration results, but it requires the precise model of the scene, which is hard to be obtained. The latter approach carries out registration by computing the ego-motion of the camera. Because it does not require the prior-knowledge of the scene, its registration results sometimes turn out to be less accurate. When the model defined is as simple as a plane, a mixed method is introduced to take advantages of the virtues of the two methods mentioned above. Although unexpected objects often occlude this plane in an AR system, one can still try to detect corresponding points with a contract-expand method, while this will import erroneous correspondences. Computing homography with RANSAC algorithm is used to overcome such shortcomings. Using the robustly estimated homography resulted from RANSAC, the camera projective matrix can be recovered and thus registration is accomplished even when the markers are lost in the scene.

Control rod computer code IAMCOS: general theory and numerical methods

International Nuclear Information System (INIS)

West, G.

1982-11-01

IAMCOS is a computer code for the description of mechanical and thermal behavior of cylindrical control rods for fast breeders. This code version was applied, tested and modified from 1979 to 1981. In this report are described the basic model (02 version), theoretical definitions and computation methods [fr

Computer-Aided Design Method of Warp-Knitted Jacquard Spacer Fabrics

Directory of Open Access Journals (Sweden)

Li Xinxin

2016-06-01

Full Text Available Based on a further study on knitting and jacquard principles, this paper presents a mathematical design model to make computer-aided design of warp-knitted jacquard spacer fabrics more efficient. The mathematical model with matrix method employs three essential elements of chain notation, threading and Jacquard designing. With this model, the processing to design warp-knitted jacquard spacer fabrics with CAD software is also introduced. In this study, the sports shoes which have separated functional areas according to the feet structure and characteristics of movement are analysed. The results show the different patterns on Jacquard spacer fabrics that are seamlessly stitched with jacquard technics. The computer-aided design method of warp-knitted jacquard spacer fabrics is efficient and simple.

Introduction to computation and modeling for differential equations

CERN Document Server

Edsberg, Lennart

2008-01-01

An introduction to scientific computing for differential equationsIntroduction to Computation and Modeling for Differential Equations provides a unified and integrated view of numerical analysis, mathematical modeling in applications, and programming to solve differential equations, which is essential in problem-solving across many disciplines, such as engineering, physics, and economics. This book successfully introduces readers to the subject through a unique ""Five-M"" approach: Modeling, Mathematics, Methods, MATLAB, and Multiphysics. This approach facilitates a thorough understanding of h

Gradient matching methods for computational inference in mechanistic models for systems biology: a review and comparative analysis

Directory of Open Access Journals (Sweden)

Benn eMacdonald

2015-11-01

Full Text Available Parameter inference in mathematical models of biological pathways, expressed as coupled ordinary differential equations (ODEs, is a challenging problem in contemporary systems biology. Conventional methods involve repeatedly solving the ODEs by numerical integration, which is computationally onerous and does not scale up to complex systems. Aimed at reducing the computational costs, new concepts based on gradient matching have recently been proposed in the computational statistics and machine learning literature. In a preliminary smoothing step, the time series data are interpolated; then, in a second step, the parameters of the ODEs are optimised so as to minimise some metric measuring the difference between the slopes of the tangents to the interpolants, and the time derivatives from the ODEs. In this way, the ODEs never have to be solved explicitly. This review provides a concise methodological overview of the current state-of-the-art methods for gradient matching in ODEs, followed by an empirical comparative evaluation based on a set of widely used and representative benchmark data.

The use of conduction model in laser weld profile computation

Science.gov (United States)

Grabas, Bogusław

2007-02-01

Profiles of joints resulting from deep penetration laser beam welding of a flat workpiece of carbon steel were computed. A semi-analytical conduction model solved with Green's function method was used in computations. In the model, the moving heat source was attenuated exponentially in accordance with Beer-Lambert law. Computational results were compared with those in the experiment.

Method of Computer-aided Instruction in Situation Control Systems

Directory of Open Access Journals (Sweden)

Anatoliy O. Kargin

2013-01-01

Full Text Available The article considers the problem of computer-aided instruction in context-chain motivated situation control system of the complex technical system behavior. The conceptual and formal models of situation control with practical instruction are considered. Acquisition of new behavior knowledge is presented as structural changes in system memory in the form of situational agent set. Model and method of computer-aided instruction represent formalization, based on the nondistinct theories by physiologists and cognitive psychologists.The formal instruction model describes situation and reaction formation and dependence on different parameters, effecting education, such as the reinforcement value, time between the stimulus, action and the reinforcement. The change of the contextual link between situational elements when using is formalized.The examples and results of computer instruction experiments of the robot device “LEGO MINDSTORMS NXT”, equipped with ultrasonic distance, touch, light sensors.

Numerical methods design, analysis, and computer implementation of algorithms

CERN Document Server

Greenbaum, Anne

2012-01-01

Numerical Methods provides a clear and concise exploration of standard numerical analysis topics, as well as nontraditional ones, including mathematical modeling, Monte Carlo methods, Markov chains, and fractals. Filled with appealing examples that will motivate students, the textbook considers modern application areas, such as information retrieval and animation, and classical topics from physics and engineering. Exercises use MATLAB and promote understanding of computational results. The book gives instructors the flexibility to emphasize different aspects--design, analysis, or computer implementation--of numerical algorithms, depending on the background and interests of students. Designed for upper-division undergraduates in mathematics or computer science classes, the textbook assumes that students have prior knowledge of linear algebra and calculus, although these topics are reviewed in the text. Short discussions of the history of numerical methods are interspersed throughout the chapters. The book a...

The CMS Computing Model

International Nuclear Information System (INIS)

Bonacorsi, D.

2007-01-01

The CMS experiment at LHC has developed a baseline Computing Model addressing the needs of a computing system capable to operate in the first years of LHC running. It is focused on a data model with heavy streaming at the raw data level based on trigger, and on the achievement of the maximum flexibility in the use of distributed computing resources. The CMS distributed Computing Model includes a Tier-0 centre at CERN, a CMS Analysis Facility at CERN, several Tier-1 centres located at large regional computing centres, and many Tier-2 centres worldwide. The workflows have been identified, along with a baseline architecture for the data management infrastructure. This model is also being tested in Grid Service Challenges of increasing complexity, coordinated with the Worldwide LHC Computing Grid community

Image analysis and modeling in medical image computing. Recent developments and advances.

Science.gov (United States)

Handels, H; Deserno, T M; Meinzer, H-P; Tolxdorff, T

2012-01-01

Medical image computing is of growing importance in medical diagnostics and image-guided therapy. Nowadays, image analysis systems integrating advanced image computing methods are used in practice e.g. to extract quantitative image parameters or to support the surgeon during a navigated intervention. However, the grade of automation, accuracy, reproducibility and robustness of medical image computing methods has to be increased to meet the requirements in clinical routine. In the focus theme, recent developments and advances in the field of modeling and model-based image analysis are described. The introduction of models in the image analysis process enables improvements of image analysis algorithms in terms of automation, accuracy, reproducibility and robustness. Furthermore, model-based image computing techniques open up new perspectives for prediction of organ changes and risk analysis of patients. Selected contributions are assembled to present latest advances in the field. The authors were invited to present their recent work and results based on their outstanding contributions to the Conference on Medical Image Computing BVM 2011 held at the University of Lübeck, Germany. All manuscripts had to pass a comprehensive peer review. Modeling approaches and model-based image analysis methods showing new trends and perspectives in model-based medical image computing are described. Complex models are used in different medical applications and medical images like radiographic images, dual-energy CT images, MR images, diffusion tensor images as well as microscopic images are analyzed. The applications emphasize the high potential and the wide application range of these methods. The use of model-based image analysis methods can improve segmentation quality as well as the accuracy and reproducibility of quantitative image analysis. Furthermore, image-based models enable new insights and can lead to a deeper understanding of complex dynamic mechanisms in the human body

Model Correction Factor Method

DEFF Research Database (Denmark)

Christensen, Claus; Randrup-Thomsen, Søren; Morsing Johannesen, Johannes

1997-01-01

The model correction factor method is proposed as an alternative to traditional polynomial based response surface techniques in structural reliability considering a computationally time consuming limit state procedure as a 'black box'. The class of polynomial functions is replaced by a limit...... of the model correction factor method, is that in simpler form not using gradient information on the original limit state function or only using this information once, a drastic reduction of the number of limit state evaluation is obtained together with good approximations on the reliability. Methods...

Numerical methods in matrix computations

CERN Document Server

Björck, Åke

2015-01-01

Matrix algorithms are at the core of scientific computing and are indispensable tools in most applications in engineering. This book offers a comprehensive and up-to-date treatment of modern methods in matrix computation. It uses a unified approach to direct and iterative methods for linear systems, least squares and eigenvalue problems. A thorough analysis of the stability, accuracy, and complexity of the treated methods is given. Numerical Methods in Matrix Computations is suitable for use in courses on scientific computing and applied technical areas at advanced undergraduate and graduate level. A large bibliography is provided, which includes both historical and review papers as well as recent research papers. This makes the book useful also as a reference and guide to further study and research work. Åke Björck is a professor emeritus at the Department of Mathematics, Linköping University. He is a Fellow of the Society of Industrial and Applied Mathematics.

Efficient Numerical Methods for Stochastic Differential Equations in Computational Finance

KAUST Repository

Happola, Juho

2017-09-19

Stochastic Differential Equations (SDE) offer a rich framework to model the probabilistic evolution of the state of a system. Numerical approximation methods are typically needed in evaluating relevant Quantities of Interest arising from such models. In this dissertation, we present novel effective methods for evaluating Quantities of Interest relevant to computational finance when the state of the system is described by an SDE.

Efficient Numerical Methods for Stochastic Differential Equations in Computational Finance

KAUST Repository

Happola, Juho

2017-01-01

Stochastic Differential Equations (SDE) offer a rich framework to model the probabilistic evolution of the state of a system. Numerical approximation methods are typically needed in evaluating relevant Quantities of Interest arising from such models. In this dissertation, we present novel effective methods for evaluating Quantities of Interest relevant to computational finance when the state of the system is described by an SDE.

Slepian modeling as a computational method in random vibration analysis of hysteretic structures

DEFF Research Database (Denmark)

Ditlevsen, Ove Dalager; Tarp-Johansen, Niels Jacob

1999-01-01

white noise. The computation time for obtaining estimates of relevant statistics on a given accuracy level is decreased by factors of one ormore orders of size as compared to the computation time needed for direct elasto-plastic displacementresponse simulations by vectorial Markov sequence techniques....... Moreover the Slepian method gives valuablephysical insight about the details of the plastic displacement development by time.The paper gives a general self-contained mathematical description of the Slepian method based plasticdisplacement analysis of Gaussian white noise excited EPOs. Experiences...

Tutorial: Parallel Computing of Simulation Models for Risk Analysis.

Science.gov (United States)

Reilly, Allison C; Staid, Andrea; Gao, Michael; Guikema, Seth D

2016-10-01

Simulation models are widely used in risk analysis to study the effects of uncertainties on outcomes of interest in complex problems. Often, these models are computationally complex and time consuming to run. This latter point may be at odds with time-sensitive evaluations or may limit the number of parameters that are considered. In this article, we give an introductory tutorial focused on parallelizing simulation code to better leverage modern computing hardware, enabling risk analysts to better utilize simulation-based methods for quantifying uncertainty in practice. This article is aimed primarily at risk analysts who use simulation methods but do not yet utilize parallelization to decrease the computational burden of these models. The discussion is focused on conceptual aspects of embarrassingly parallel computer code and software considerations. Two complementary examples are shown using the languages MATLAB and R. A brief discussion of hardware considerations is located in the Appendix. © 2016 Society for Risk Analysis.

Oxygen Distributions-Evaluation of Computational Methods, Using a Stochastic Model for Large Tumour Vasculature, to Elucidate the Importance of Considering a Complete Vascular Network.

Directory of Open Access Journals (Sweden)

Jakob H Lagerlöf

Full Text Available To develop a general model that utilises a stochastic method to generate a vessel tree based on experimental data, and an associated irregular, macroscopic tumour. These will be used to evaluate two different methods for computing oxygen distribution.A vessel tree structure, and an associated tumour of 127 cm3, were generated, using a stochastic method and Bresenham's line algorithm to develop trees on two different scales and fusing them together. The vessel dimensions were adjusted through convolution and thresholding and each vessel voxel was assigned an oxygen value. Diffusion and consumption were modelled using a Green's function approach together with Michaelis-Menten kinetics. The computations were performed using a combined tree method (CTM and an individual tree method (ITM. Five tumour sub-sections were compared, to evaluate the methods.The oxygen distributions of the same tissue samples, using different methods of computation, were considerably less similar (root mean square deviation, RMSD≈0.02 than the distributions of different samples using CTM (0.001< RMSD<0.01. The deviations of ITM from CTM increase with lower oxygen values, resulting in ITM severely underestimating the level of hypoxia in the tumour. Kolmogorov Smirnov (KS tests showed that millimetre-scale samples may not represent the whole.The stochastic model managed to capture the heterogeneous nature of hypoxic fractions and, even though the simplified computation did not considerably alter the oxygen distribution, it leads to an evident underestimation of tumour hypoxia, and thereby radioresistance. For a trustworthy computation of tumour oxygenation, the interaction between adjacent microvessel trees must not be neglected, why evaluation should be made using high resolution and the CTM, applied to the entire tumour.

An integrative computational modelling of music structure apprehension

DEFF Research Database (Denmark)

Lartillot, Olivier

2014-01-01

, the computational model, by virtue of its generality, extensiveness and operationality, is suggested as a blueprint for the establishment of cognitively validated model of music structure apprehension. Available as a Matlab module, it can be used for practical musicological uses.......An objectivization of music analysis requires a detailed formalization of the underlying principles and methods. The formalization of the most elementary structural processes is hindered by the complexity of music, both in terms of profusions of entities (such as notes) and of tight interactions...... between a large number of dimensions. Computational modeling would enable systematic and exhaustive tests on sizeable pieces of music, yet current researches cover particular musical dimensions with limited success. The aim of this research is to conceive a computational modeling of music analysis...

Applied modelling and computing in social science

CERN Document Server

Povh, Janez

2015-01-01

In social science outstanding results are yielded by advanced simulation methods, based on state of the art software technologies and an appropriate combination of qualitative and quantitative methods. This book presents examples of successful applications of modelling and computing in social science: business and logistic process simulation and optimization, deeper knowledge extractions from big data, better understanding and predicting of social behaviour and modelling health and environment changes.

A computer simulation model to compute the radiation transfer of mountainous regions

Science.gov (United States)

Li, Yuguang; Zhao, Feng; Song, Rui

2011-11-01

In mountainous regions, the radiometric signal recorded at the sensor depends on a number of factors such as sun angle, atmospheric conditions, surface cover type, and topography. In this paper, a computer simulation model of radiation transfer is designed and evaluated. This model implements the Monte Carlo ray-tracing techniques and is specifically dedicated to the study of light propagation in mountainous regions. The radiative processes between sun light and the objects within the mountainous region are realized by using forward Monte Carlo ray-tracing methods. The performance of the model is evaluated through detailed comparisons with the well-established 3D computer simulation model: RGM (Radiosity-Graphics combined Model) based on the same scenes and identical spectral parameters, which shows good agreements between these two models' results. By using the newly developed computer model, series of typical mountainous scenes are generated to analyze the physical mechanism of mountainous radiation transfer. The results show that the effects of the adjacent slopes are important for deep valleys and they particularly affect shadowed pixels, and the topographic effect needs to be considered in mountainous terrain before accurate inferences from remotely sensed data can be made.

Computational models of neuromodulation.

Science.gov (United States)

Fellous, J M; Linster, C

1998-05-15

Computational modeling of neural substrates provides an excellent theoretical framework for the understanding of the computational roles of neuromodulation. In this review, we illustrate, with a large number of modeling studies, the specific computations performed by neuromodulation in the context of various neural models of invertebrate and vertebrate preparations. We base our characterization of neuromodulations on their computational and functional roles rather than on anatomical or chemical criteria. We review the main framework in which neuromodulation has been studied theoretically (central pattern generation and oscillations, sensory processing, memory and information integration). Finally, we present a detailed mathematical overview of how neuromodulation has been implemented at the single cell and network levels in modeling studies. Overall, neuromodulation is found to increase and control computational complexity.

Multivariate analysis: models and method

International Nuclear Information System (INIS)

Sanz Perucha, J.

1990-01-01

Data treatment techniques are increasingly used since computer methods result of wider access. Multivariate analysis consists of a group of statistic methods that are applied to study objects or samples characterized by multiple values. A final goal is decision making. The paper describes the models and methods of multivariate analysis

A brief introduction to computer-intensive methods, with a view towards applications in spatial statistics and stereology.

Science.gov (United States)

Mattfeldt, Torsten

2011-04-01

Computer-intensive methods may be defined as data analytical procedures involving a huge number of highly repetitive computations. We mention resampling methods with replacement (bootstrap methods), resampling methods without replacement (randomization tests) and simulation methods. The resampling methods are based on simple and robust principles and are largely free from distributional assumptions. Bootstrap methods may be used to compute confidence intervals for a scalar model parameter and for summary statistics from replicated planar point patterns, and for significance tests. For some simple models of planar point processes, point patterns can be simulated by elementary Monte Carlo methods. The simulation of models with more complex interaction properties usually requires more advanced computing methods. In this context, we mention simulation of Gibbs processes with Markov chain Monte Carlo methods using the Metropolis-Hastings algorithm. An alternative to simulations on the basis of a parametric model consists of stochastic reconstruction methods. The basic ideas behind the methods are briefly reviewed and illustrated by simple worked examples in order to encourage novices in the field to use computer-intensive methods. © 2010 The Authors Journal of Microscopy © 2010 Royal Microscopical Society.

DNA computing models

CERN Document Server

Ignatova, Zoya; Zimmermann, Karl-Heinz

2008-01-01

In this excellent text, the reader is given a comprehensive introduction to the field of DNA computing. The book emphasizes computational methods to tackle central problems of DNA computing, such as controlling living cells, building patterns, and generating nanomachines.

Computational methods for industrial radiation measurement applications

International Nuclear Information System (INIS)

Gardner, R.P.; Guo, P.; Ao, Q.

1996-01-01

Computational methods have been used with considerable success to complement radiation measurements in solving a wide range of industrial problems. The almost exponential growth of computer capability and applications in the last few years leads to a open-quotes black boxclose quotes mentality for radiation measurement applications. If a black box is defined as any radiation measurement device that is capable of measuring the parameters of interest when a wide range of operating and sample conditions may occur, then the development of computational methods for industrial radiation measurement applications should now be focused on the black box approach and the deduction of properties of interest from the response with acceptable accuracy and reasonable efficiency. Nowadays, increasingly better understanding of radiation physical processes, more accurate and complete fundamental physical data, and more advanced modeling and software/hardware techniques have made it possible to make giant strides in that direction with new ideas implemented with computer software. The Center for Engineering Applications of Radioisotopes (CEAR) at North Carolina State University has been working on a variety of projects in the area of radiation analyzers and gauges for accomplishing this for quite some time, and they are discussed here with emphasis on current accomplishments

A cognition-based method to ease the computational load for an extended Kalman filter.

Science.gov (United States)

Li, Yanpeng; Li, Xiang; Deng, Bin; Wang, Hongqiang; Qin, Yuliang

2014-12-03

The extended Kalman filter (EKF) is the nonlinear model of a Kalman filter (KF). It is a useful parameter estimation method when the observation model and/or the state transition model is not a linear function. However, the computational requirements in EKF are a difficulty for the system. With the help of cognition-based designation and the Taylor expansion method, a novel algorithm is proposed to ease the computational load for EKF in azimuth predicting and localizing under a nonlinear observation model. When there are nonlinear functions and inverse calculations for matrices, this method makes use of the major components (according to current performance and the performance requirements) in the Taylor expansion. As a result, the computational load is greatly lowered and the performance is ensured. Simulation results show that the proposed measure will deliver filtering output with a similar precision compared to the regular EKF. At the same time, the computational load is substantially lowered.

Development and application of a new deterministic method for calculating computer model result uncertainties

International Nuclear Information System (INIS)

Maerker, R.E.; Worley, B.A.

1989-01-01

Interest in research into the field of uncertainty analysis has recently been stimulated as a result of a need in high-level waste repository design assessment for uncertainty information in the form of response complementary cumulative distribution functions (CCDFs) to show compliance with regulatory requirements. The solution to this problem must obviously rely on the analysis of computer code models, which, however, employ parameters that can have large uncertainties. The motivation for the research presented in this paper is a search for a method involving a deterministic uncertainty analysis approach that could serve as an improvement over those methods that make exclusive use of statistical techniques. A deterministic uncertainty analysis (DUA) approach based on the use of first derivative information is the method studied in the present procedure. The present method has been applied to a high-level nuclear waste repository problem involving use of the codes ORIGEN2, SAS, and BRINETEMP in series, and the resulting CDF of a BRINETEMP result of interest is compared with that obtained through a completely statistical analysis

Pulse cleaning flow models and numerical computation of candle ceramic filters.

Science.gov (United States)

Tian, Gui-shan; Ma, Zhen-ji; Zhang, Xin-yi; Xu, Ting-xiang

2002-04-01

Analytical and numerical computed models are developed for reverse pulse cleaning system of candle ceramic filters. A standard turbulent model is demonstrated suitably to the designing computation of reverse pulse cleaning system from the experimental and one-dimensional computational result. The computed results can be used to guide the designing of reverse pulse cleaning system, which is optimum Venturi geometry. From the computed results, the general conclusions and the designing methods are obtained.

Deterministic sensitivity and uncertainty analysis for large-scale computer models

International Nuclear Information System (INIS)

Worley, B.A.; Pin, F.G.; Oblow, E.M.; Maerker, R.E.; Horwedel, J.E.; Wright, R.Q.

1988-01-01

This paper presents a comprehensive approach to sensitivity and uncertainty analysis of large-scale computer models that is analytic (deterministic) in principle and that is firmly based on the model equations. The theory and application of two systems based upon computer calculus, GRESS and ADGEN, are discussed relative to their role in calculating model derivatives and sensitivities without a prohibitive initial manpower investment. Storage and computational requirements for these two systems are compared for a gradient-enhanced version of the PRESTO-II computer model. A Deterministic Uncertainty Analysis (DUA) method that retains the characteristics of analytically computing result uncertainties based upon parameter probability distributions is then introduced and results from recent studies are shown. 29 refs., 4 figs., 1 tab

Computing Nash equilibria through computational intelligence methods

Science.gov (United States)

Pavlidis, N. G.; Parsopoulos, K. E.; Vrahatis, M. N.

2005-03-01

Nash equilibrium constitutes a central solution concept in game theory. The task of detecting the Nash equilibria of a finite strategic game remains a challenging problem up-to-date. This paper investigates the effectiveness of three computational intelligence techniques, namely, covariance matrix adaptation evolution strategies, particle swarm optimization, as well as, differential evolution, to compute Nash equilibria of finite strategic games, as global minima of a real-valued, nonnegative function. An issue of particular interest is to detect more than one Nash equilibria of a game. The performance of the considered computational intelligence methods on this problem is investigated using multistart and deflection.

Qudit quantum computation in the Jaynes-Cummings model

DEFF Research Database (Denmark)

Mischuck, Brian; Mølmer, Klaus

2013-01-01

We have developed methods for performing qudit quantum computation in the Jaynes-Cummings model with the qudits residing in a finite subspace of individual harmonic oscillator modes, resonantly coupled to a spin-1/2 system. The first method determines analytical control sequences for the one......- and two-qudit gates necessary for universal quantum computation by breaking down the desired unitary transformations into a series of state preparations implemented with the Law-Eberly scheme [ Law and Eberly Phys. Rev. Lett. 76 1055 (1996)]. The second method replaces some of the analytical pulse...

Computer-Based Molecular Modelling: Finnish School Teachers' Experiences and Views

Science.gov (United States)

Aksela, Maija; Lundell, Jan

2008-01-01

Modern computer-based molecular modelling opens up new possibilities for chemistry teaching at different levels. This article presents a case study seeking insight into Finnish school teachers' use of computer-based molecular modelling in teaching chemistry, into the different working and teaching methods used, and their opinions about necessary…

An ODP computational model of a cooperative binding object

Science.gov (United States)

Logé, Christophe; Najm, Elie; Chen, Ken

1997-12-01

A next generation of systems that should appear will have to manage simultaneously several geographically distributed users. These systems belong to the class of computer-supported cooperative work systems (CSCW). The development of such complex systems requires rigorous development methods and flexible open architectures. Open distributed processing (ODP) is a standardization effort that aims at providing such architectures. ODP features appropriate abstraction levels and a clear articulation between requirements, programming and infrastructure support. ODP advocates the use of formal methods for the specification of systems and components. The computational model, an object-based model, one of the abstraction levels identified within ODP, plays a central role in the global architecture. In this model, basic objects can be composed with communication and distribution abstractions (called binding objects) to form a computational specification of distributed systems, or applications. Computational specifications can then be mapped (in a mechanism akin to compilation) onto an engineering solution. We use an ODP-inspired method to computationally specify a cooperative system. We start from a general purpose component that we progressively refine into a collection of basic and binding objects. We focus on two issues of a co-authoring application, namely, dynamic reconfiguration and multiview synchronization. We discuss solutions for these issues and formalize them using the MT-LOTOS specification language that is currently studied in the ISO standardization formal description techniques group.

Reproducibility in Computational Neuroscience Models and Simulations

Science.gov (United States)

McDougal, Robert A.; Bulanova, Anna S.; Lytton, William W.

2016-01-01

Objective Like all scientific research, computational neuroscience research must be reproducible. Big data science, including simulation research, cannot depend exclusively on journal articles as the method to provide the sharing and transparency required for reproducibility. Methods Ensuring model reproducibility requires the use of multiple standard software practices and tools, including version control, strong commenting and documentation, and code modularity. Results Building on these standard practices, model sharing sites and tools have been developed that fit into several categories: 1. standardized neural simulators, 2. shared computational resources, 3. declarative model descriptors, ontologies and standardized annotations; 4. model sharing repositories and sharing standards. Conclusion A number of complementary innovations have been proposed to enhance sharing, transparency and reproducibility. The individual user can be encouraged to make use of version control, commenting, documentation and modularity in development of models. The community can help by requiring model sharing as a condition of publication and funding. Significance Model management will become increasingly important as multiscale models become larger, more detailed and correspondingly more difficult to manage by any single investigator or single laboratory. Additional big data management complexity will come as the models become more useful in interpreting experiments, thus increasing the need to ensure clear alignment between modeling data, both parameters and results, and experiment. PMID:27046845

High-resolution subject-specific mitral valve imaging and modeling: experimental and computational methods.

Science.gov (United States)

Toma, Milan; Bloodworth, Charles H; Einstein, Daniel R; Pierce, Eric L; Cochran, Richard P; Yoganathan, Ajit P; Kunzelman, Karyn S

2016-12-01

The diversity of mitral valve (MV) geometries and multitude of surgical options for correction of MV diseases necessitates the use of computational modeling. Numerical simulations of the MV would allow surgeons and engineers to evaluate repairs, devices, procedures, and concepts before performing them and before moving on to more costly testing modalities. Constructing, tuning, and validating these models rely upon extensive in vitro characterization of valve structure, function, and response to change due to diseases. Micro-computed tomography ([Formula: see text]CT) allows for unmatched spatial resolution for soft tissue imaging. However, it is still technically challenging to obtain an accurate geometry of the diastolic MV. We discuss here the development of a novel technique for treating MV specimens with glutaraldehyde fixative in order to minimize geometric distortions in preparation for [Formula: see text]CT scanning. The technique provides a resulting MV geometry which is significantly more detailed in chordal structure, accurate in leaflet shape, and closer to its physiological diastolic geometry. In this paper, computational fluid-structure interaction (FSI) simulations are used to show the importance of more detailed subject-specific MV geometry with 3D chordal structure to simulate a proper closure validated against [Formula: see text]CT images of the closed valve. Two computational models, before and after use of the aforementioned technique, are used to simulate closure of the MV.

Application of the Laplace transform method for computational modelling of radioactive decay series

Energy Technology Data Exchange (ETDEWEB)

Oliveira, Deise L.; Damasceno, Ralf M.; Barros, Ricardo C. [Univ. do Estado do Rio de Janeiro (IME/UERJ) (Brazil). Programa de Pos-graduacao em Ciencias Computacionais

2012-03-15

It is well known that when spent fuel is removed from the core, it is still composed of considerable amount of radioactive elements with significant half-lives. Most actinides, in particular plutonium, fall into this category, and have to be safely disposed of. One solution is to store the long-lived spent fuel as it is, by encasing and burying it deep underground in a stable geological formation. This implies estimating the transmutation of these radioactive elements with time. Therefore, we describe in this paper the application of the Laplace transform technique in matrix formulation to analytically solve initial value problems that mathematically model radioactive decay series. Given the initial amount of each type of radioactive isotopes in the decay series, the computer code generates the amount at a given time of interest, or may plot a graph of the evolution in time of the amount of each type of isotopes in the series. This computer code, that we refer to as the LTRad{sub L} code, where L is the number of types of isotopes belonging to the series, was developed using the Scilab free platform for numerical computation and can model one segment or the entire chain of any of the three radioactive series existing on Earth today. Numerical results are given to typical model problems to illustrate the computer code efficiency and accuracy. (orig.)

Application of the Laplace transform method for computational modelling of radioactive decay series

International Nuclear Information System (INIS)

Oliveira, Deise L.; Damasceno, Ralf M.; Barros, Ricardo C.

2012-01-01

It is well known that when spent fuel is removed from the core, it is still composed of considerable amount of radioactive elements with significant half-lives. Most actinides, in particular plutonium, fall into this category, and have to be safely disposed of. One solution is to store the long-lived spent fuel as it is, by encasing and burying it deep underground in a stable geological formation. This implies estimating the transmutation of these radioactive elements with time. Therefore, we describe in this paper the application of the Laplace transform technique in matrix formulation to analytically solve initial value problems that mathematically model radioactive decay series. Given the initial amount of each type of radioactive isotopes in the decay series, the computer code generates the amount at a given time of interest, or may plot a graph of the evolution in time of the amount of each type of isotopes in the series. This computer code, that we refer to as the LTRad L code, where L is the number of types of isotopes belonging to the series, was developed using the Scilab free platform for numerical computation and can model one segment or the entire chain of any of the three radioactive series existing on Earth today. Numerical results are given to typical model problems to illustrate the computer code efficiency and accuracy. (orig.)

Deterministic sensitivity and uncertainty analysis for large-scale computer models

International Nuclear Information System (INIS)

Worley, B.A.; Pin, F.G.; Oblow, E.M.; Maerker, R.E.; Horwedel, J.E.; Wright, R.Q.

1988-01-01

The fields of sensitivity and uncertainty analysis have traditionally been dominated by statistical techniques when large-scale modeling codes are being analyzed. These methods are able to estimate sensitivities, generate response surfaces, and estimate response probability distributions given the input parameter probability distributions. Because the statistical methods are computationally costly, they are usually applied only to problems with relatively small parameter sets. Deterministic methods, on the other hand, are very efficient and can handle large data sets, but generally require simpler models because of the considerable programming effort required for their implementation. The first part of this paper reports on the development and availability of two systems, GRESS and ADGEN, that make use of computer calculus compilers to automate the implementation of deterministic sensitivity analysis capability into existing computer models. This automation removes the traditional limitation of deterministic sensitivity methods. This second part of the paper describes a deterministic uncertainty analysis method (DUA) that uses derivative information as a basis to propagate parameter probability distributions to obtain result probability distributions. This paper is applicable to low-level radioactive waste disposal system performance assessment

Modeling of Groundwater Resources Heavy Metals Concentration Using Soft Computing Methods: Application of Different Types of Artificial Neural Networks

Directory of Open Access Journals (Sweden)

Meysam Alizamir

2017-09-01

Full Text Available Nowadays, groundwater resources play a vital role as a source of drinking water in arid and semiarid regions and forecasting of pollutants content in these resources is very important. Therefore, this study aimed to compare two soft computing methods for modeling Cd, Pb and Zn concentration in groundwater resources of Asadabad Plain, Western Iran. The relative accuracy of several soft computing models, namely multi-layer perceptron (MLP and radial basis function (RBF for forecasting of heavy metals concentration have been investigated. In addition, Levenberg-Marquardt, gradient descent and conjugate gradient training algorithms were utilized for the MLP models. The ANN models for this study were developed using MATLAB R 2014 Software program. The MLP performs better than the other models for heavy metals concentration estimation. The simulation results revealed that MLP model was able to model heavy metals concentration in groundwater resources favorably. It generally is effectively utilized in environmental applications and in the water quality estimations. In addition, out of three algorithms, Levenberg-Marquardt was better than the others were. This study proposed soft computing modeling techniques for the prediction and estimation of heavy metals concentration in groundwater resources of Asadabad Plain. Based on collected data from the plain, MLP and RBF models were developed for each heavy metal. MLP can be utilized effectively in applications of prediction of heavy metals concentration in groundwater resources of Asadabad Plain.

Plasticity: modeling & computation

National Research Council Canada - National Science Library

Borja, Ronaldo Israel

2013-01-01

.... "Plasticity Modeling & Computation" is a textbook written specifically for students who want to learn the theoretical, mathematical, and computational aspects of inelastic deformation in solids...

Prediction of the Thermal Conductivity of Refrigerants by Computational Methods and Artificial Neural Network.

Science.gov (United States)

Ghaderi, Forouzan; Ghaderi, Amir H; Ghaderi, Noushin; Najafi, Bijan

2017-01-01

Background: The thermal conductivity of fluids can be calculated by several computational methods. However, these methods are reliable only at the confined levels of density, and there is no specific computational method for calculating thermal conductivity in the wide ranges of density. Methods: In this paper, two methods, an Artificial Neural Network (ANN) approach and a computational method established upon the Rainwater-Friend theory, were used to predict the value of thermal conductivity in all ranges of density. The thermal conductivity of six refrigerants, R12, R14, R32, R115, R143, and R152 was predicted by these methods and the effectiveness of models was specified and compared. Results: The results show that the computational method is a usable method for predicting thermal conductivity at low levels of density. However, the efficiency of this model is considerably reduced in the mid-range of density. It means that this model cannot be used at density levels which are higher than 6. On the other hand, the ANN approach is a reliable method for thermal conductivity prediction in all ranges of density. The best accuracy of ANN is achieved when the number of units is increased in the hidden layer. Conclusion: The results of the computational method indicate that the regular dependence between thermal conductivity and density at higher densities is eliminated. It can develop a nonlinear problem. Therefore, analytical approaches are not able to predict thermal conductivity in wide ranges of density. Instead, a nonlinear approach such as, ANN is a valuable method for this purpose.

Markov chain Monte Carlo methods in directed graphical models

DEFF Research Database (Denmark)

Højbjerre, Malene

Directed graphical models present data possessing a complex dependence structure, and MCMC methods are computer-intensive simulation techniques to approximate high-dimensional intractable integrals, which emerge in such models with incomplete data. MCMC computations in directed graphical models h...

Computational model for dosimetric purposes in dental procedures

International Nuclear Information System (INIS)

Kawamoto, Renato H.; Campos, Tarcisio R.

2013-01-01

This study aims to develop a computational model for dosimetric purposes the oral region, based on computational tools SISCODES and MCNP-5, to predict deterministic effects and minimize stochastic effects caused by ionizing radiation by radiodiagnosis. Based on a set of digital information provided by computed tomography, three-dimensional voxel model was created, and its tissues represented. The model was exported to the MCNP code. In association with SICODES, we used the Monte Carlo N-Particle Transport Code (MCNP-5) method to play the corresponding interaction of nuclear particles with human tissues statistical process. The study will serve as a source of data for dosimetric studies in the oral region, providing deterministic effect and minimize the stochastic effect of ionizing radiation

The research of contamination regularities of historical buildings and architectural monuments by methods of computer modeling

Directory of Open Access Journals (Sweden)

Kuzmichev Andrey A.

2017-01-01

Full Text Available Due to the active step of urbanization and rapid development of industry the external appearance of buildings and architectural monuments of urban environment from visual ecology position requires special attention. Dust deposition by polluted atmospheric air is one of the key aspects of degradation of the facades of buildings. With the help of modern computer modeling methods it is possible to evaluate the impact of polluted atmospheric air on the external facades of the buildings in order to save them.

Numerical Methods for Stochastic Computations A Spectral Method Approach

CERN Document Server

Xiu, Dongbin

2010-01-01

The first graduate-level textbook to focus on fundamental aspects of numerical methods for stochastic computations, this book describes the class of numerical methods based on generalized polynomial chaos (gPC). These fast, efficient, and accurate methods are an extension of the classical spectral methods of high-dimensional random spaces. Designed to simulate complex systems subject to random inputs, these methods are widely used in many areas of computer science and engineering. The book introduces polynomial approximation theory and probability theory; describes the basic theory of gPC meth

Three dimensional wavefield modeling using the pseudospectral method; Pseudospectral ho ni yoru sanjigen hadoba modeling

Energy Technology Data Exchange (ETDEWEB)

Sato, T; Matsuoka, T [Japan Petroleum Exploration Corp., Tokyo (Japan); Saeki, T [Japan National Oil Corp., Tokyo (Japan). Technology Research Center

1997-05-27

Discussed in this report is a wavefield simulation in the 3-dimensional seismic survey. With the level of the object of exploration growing deeper and the object more complicated in structure, the survey method is now turning 3-dimensional. There are several modelling methods for numerical calculation of 3-dimensional wavefields, such as the difference method, pseudospectral method, and the like, all of which demand an exorbitantly large memory and long calculation time, and are costly. Such methods have of late become feasible, however, thanks to the advent of the parallel computer. As compared with the difference method, the pseudospectral method requires a smaller computer memory and shorter computation time, and is more flexible in accepting models. It outputs the result in fullwave just like the difference method, and does not cause wavefield numerical variance. As the computation platform, the parallel computer nCUBE-2S is used. The object domain is divided into the number of the processors, and each of the processors takes care only of its share so that parallel computation as a whole may realize a very high-speed computation. By the use of the pseudospectral method, a 3-dimensional simulation is completed within a tolerable computation time length. 7 refs., 3 figs., 1 tab.

Evolutionary Computing Methods for Spectral Retrieval

Science.gov (United States)

Terrile, Richard; Fink, Wolfgang; Huntsberger, Terrance; Lee, Seugwon; Tisdale, Edwin; VonAllmen, Paul; Tinetti, Geivanna

2009-01-01

A methodology for processing spectral images to retrieve information on underlying physical, chemical, and/or biological phenomena is based on evolutionary and related computational methods implemented in software. In a typical case, the solution (the information that one seeks to retrieve) consists of parameters of a mathematical model that represents one or more of the phenomena of interest. The methodology was developed for the initial purpose of retrieving the desired information from spectral image data acquired by remote-sensing instruments aimed at planets (including the Earth). Examples of information desired in such applications include trace gas concentrations, temperature profiles, surface types, day/night fractions, cloud/aerosol fractions, seasons, and viewing angles. The methodology is also potentially useful for retrieving information on chemical and/or biological hazards in terrestrial settings. In this methodology, one utilizes an iterative process that minimizes a fitness function indicative of the degree of dissimilarity between observed and synthetic spectral and angular data. The evolutionary computing methods that lie at the heart of this process yield a population of solutions (sets of the desired parameters) within an accuracy represented by a fitness-function value specified by the user. The evolutionary computing methods (ECM) used in this methodology are Genetic Algorithms and Simulated Annealing, both of which are well-established optimization techniques and have also been described in previous NASA Tech Briefs articles. These are embedded in a conceptual framework, represented in the architecture of the implementing software, that enables automatic retrieval of spectral and angular data and analysis of the retrieved solutions for uniqueness.

A computationally efficient P_1 radiation model for modern combustion systems utilizing pre-conditioned conjugate gradient methods

International Nuclear Information System (INIS)

Krishnamoorthy, Gautham

2017-01-01

Highlights: • The P_1 radiation model was interfaced with high performance linear solvers. • Pre-conditioned conjugate gradient (PC CG) method improved convergence by 50% • PC CG was more than 30 times faster than classical iterative methods. • The time to solution scaled linearly with increase in problem size employing PC CG. • Employing WSGGM with P_1 model compared reasonably well against benchmark data. - Abstract: The iterative convergence of the P_1 radiation model can be slow in optically thin scenarios when employing classical iterative methods. In order to remedy this shortcoming, an in-house P_1 radiation model was interfaced with high performance, scalable, linear solver libraries. Next, the accuracies of P_1 radiation model calculations was assessed by comparing its predictions against discrete ordinates (DO) model calculations for prototypical problems representative of modern combustion systems. Corresponding benchmark results were also included for comparison. Utilizing Pre-Conditioners (PC) to the Conjugate Gradients (CG) method, the convergence time of the P_1 radiation model reduced by a factor of 30 for modest problem sizes and a factor of 70 for larger sized problems when compared against classical Gauss Seidel sweeps. Further, PC provided 50% computational savings compared to employing CG in a standalone mode. The P_1 model calculation times were about 25–30% of the DO model calculation time. The time to solution also scaled linearly with an increase in problem size. The weighted sum of gray gases model employed in this study in conjunction with the P_1 model provided good agreement against benchmark data with L_2 error norms (defined relative to corresponding DO calculations) improving when isotropic intensities were prevalent.

Application of statistical method for FBR plant transient computation

International Nuclear Information System (INIS)

Kikuchi, Norihiro; Mochizuki, Hiroyasu

2014-01-01

Highlights: • A statistical method with a large trial number up to 10,000 is applied to the plant system analysis. • A turbine trip test conducted at the “Monju” reactor is selected as a plant transient. • A reduction method of trial numbers is discussed. • The result with reduced trial number can express the base regions of the computed distribution. -- Abstract: It is obvious that design tolerances, errors included in operation, and statistical errors in empirical correlations effect on the transient behavior. The purpose of the present study is to apply above mentioned statistical errors to a plant system computation in order to evaluate the statistical distribution contained in the transient evolution. A selected computation case is the turbine trip test conducted at 40% electric power of the prototype fast reactor “Monju”. All of the heat transport systems of “Monju” are modeled with the NETFLOW++ system code which has been validated using the plant transient tests of the experimental fast reactor Joyo, and “Monju”. The effects of parameters on upper plenum temperature are confirmed by sensitivity analyses, and dominant parameters are chosen. The statistical errors are applied to each computation deck by using a pseudorandom number and the Monte-Carlo method. The dSFMT (Double precision SIMD-oriented Fast Mersenne Twister) that is developed version of Mersenne Twister (MT), is adopted as the pseudorandom number generator. In the present study, uniform random numbers are generated by dSFMT, and these random numbers are transformed to the normal distribution by the Box–Muller method. Ten thousands of different computations are performed at once. In every computation case, the steady calculation is performed for 12,000 s, and transient calculation is performed for 4000 s. In the purpose of the present statistical computation, it is important that the base regions of distribution functions should be calculated precisely. A large number of

Accuracy of the microcanonical Lanczos method to compute real-frequency dynamical spectral functions of quantum models at finite temperatures

Science.gov (United States)

Okamoto, Satoshi; Alvarez, Gonzalo; Dagotto, Elbio; Tohyama, Takami

2018-04-01

We examine the accuracy of the microcanonical Lanczos method (MCLM) developed by Long et al. [Phys. Rev. B 68, 235106 (2003), 10.1103/PhysRevB.68.235106] to compute dynamical spectral functions of interacting quantum models at finite temperatures. The MCLM is based on the microcanonical ensemble, which becomes exact in the thermodynamic limit. To apply the microcanonical ensemble at a fixed temperature, one has to find energy eigenstates with the energy eigenvalue corresponding to the internal energy in the canonical ensemble. Here, we propose to use thermal pure quantum state methods by Sugiura and Shimizu [Phys. Rev. Lett. 111, 010401 (2013), 10.1103/PhysRevLett.111.010401] to obtain the internal energy. After obtaining the energy eigenstates using the Lanczos diagonalization method, dynamical quantities are computed via a continued fraction expansion, a standard procedure for Lanczos-based numerical methods. Using one-dimensional antiferromagnetic Heisenberg chains with S =1 /2 , we demonstrate that the proposed procedure is reasonably accurate, even for relatively small systems.

Moving finite elements: A continuously adaptive method for computational fluid dynamics

International Nuclear Information System (INIS)

Glasser, A.H.; Miller, K.; Carlson, N.

1991-01-01

Moving Finite Elements (MFE), a recently developed method for computational fluid dynamics, promises major advances in the ability of computers to model the complex behavior of liquids, gases, and plasmas. Applications of computational fluid dynamics occur in a wide range of scientifically and technologically important fields. Examples include meteorology, oceanography, global climate modeling, magnetic and inertial fusion energy research, semiconductor fabrication, biophysics, automobile and aircraft design, industrial fluid processing, chemical engineering, and combustion research. The improvements made possible by the new method could thus have substantial economic impact. Moving Finite Elements is a moving node adaptive grid method which has a tendency to pack the grid finely in regions where it is most needed at each time and to leave it coarse elsewhere. It does so in a manner which is simple and automatic, and does not require a large amount of human ingenuity to apply it to each particular problem. At the same time, it often allows the time step to be large enough to advance a moving shock by many shock thicknesses in a single time step, moving the grid smoothly with the solution and minimizing the number of time steps required for the whole problem. For 2D problems (two spatial variables) the grid is composed of irregularly shaped and irregularly connected triangles which are very flexible in their ability to adapt to the evolving solution. While other adaptive grid methods have been developed which share some of these desirable properties, this is the only method which combines them all. In many cases, the method can save orders of magnitude of computing time, equivalent to several generations of advancing computer hardware

New-generation Monte Carlo shell model for the K computer era

International Nuclear Information System (INIS)

Shimizu, Noritaka; Abe, Takashi; Yoshida, Tooru; Otsuka, Takaharu; Tsunoda, Yusuke; Utsuno, Yutaka; Mizusaki, Takahiro; Honma, Michio

2012-01-01

We present a newly enhanced version of the Monte Carlo shell-model (MCSM) method by incorporating the conjugate gradient method and energy-variance extrapolation. This new method enables us to perform large-scale shell-model calculations that the direct diagonalization method cannot reach. This new-generation framework of the MCSM provides us with a powerful tool to perform very advanced large-scale shell-model calculations on current massively parallel computers such as the K computer. We discuss the validity of this method in ab initio calculations of light nuclei, and propose a new method to describe the intrinsic wave function in terms of the shell-model picture. We also apply this new MCSM to the study of neutron-rich Cr and Ni isotopes using conventional shell-model calculations with an inert 40 Ca core and discuss how the magicity of N = 28, 40, 50 remains or is broken. (author)

Computer-aided modeling for efficient and innovative product-process engineering

DEFF Research Database (Denmark)

Heitzig, Martina

Model-based computer aided product-process engineering has attained increased importance in a number of industries, including pharmaceuticals, petrochemicals, fine chemicals, polymers, biotechnology, food, energy and water. This trend is set to continue due to the substantial benefits computer...... in chemical and biochemical engineering have been solved to illustrate the application of the generic modelling methodology, the computeraided modelling framework and the developed software tool.......-aided methods provide. The key prerequisite of computer-aided productprocess engineering is however the availability of models of different types, forms and application modes. The development of the models required for the systems under investigation tends to be a challenging, time-consuming and therefore cost...

Computer Profiling Based Model for Investigation

OpenAIRE

Neeraj Choudhary; Nikhil Kumar Singh; Parmalik Singh

2011-01-01

Computer profiling is used for computer forensic analysis, and proposes and elaborates on a novel model for use in computer profiling, the computer profiling object model. The computer profiling object model is an information model which models a computer as objects with various attributes and inter-relationships. These together provide the information necessary for a human investigator or an automated reasoning engine to make judgments as to the probable usage and evidentiary value of a comp...

Advanced computational modelling for drying processes – A review

International Nuclear Information System (INIS)

Defraeye, Thijs

2014-01-01

Highlights: • Understanding the product dehydration process is a key aspect in drying technology. • Advanced modelling thereof plays an increasingly important role for developing next-generation drying technology. • Dehydration modelling should be more energy-oriented. • An integrated “nexus” modelling approach is needed to produce more energy-smart products. • Multi-objective process optimisation requires development of more complete multiphysics models. - Abstract: Drying is one of the most complex and energy-consuming chemical unit operations. R and D efforts in drying technology have skyrocketed in the past decades, as new drivers emerged in this industry next to procuring prime product quality and high throughput, namely reduction of energy consumption and carbon footprint as well as improving food safety and security. Solutions are sought in optimising existing technologies or developing new ones which increase energy and resource efficiency, use renewable energy, recuperate waste heat and reduce product loss, thus also the embodied energy therein. Novel tools are required to push such technological innovations and their subsequent implementation. Particularly computer-aided drying process engineering has a large potential to develop next-generation drying technology, including more energy-smart and environmentally-friendly products and dryers systems. This review paper deals with rapidly emerging advanced computational methods for modelling dehydration of porous materials, particularly for foods. Drying is approached as a combined multiphysics, multiscale and multiphase problem. These advanced methods include computational fluid dynamics, several multiphysics modelling methods (e.g. conjugate modelling), multiscale modelling and modelling of material properties and the associated propagation of material property variability. Apart from the current challenges for each of these, future perspectives should be directed towards material property

SELECT NUMERICAL METHODS FOR MODELING THE DYNAMICS SYSTEMS

Directory of Open Access Journals (Sweden)

Tetiana D. Panchenko

2016-07-01

Full Text Available The article deals with the creation of methodical support for mathematical modeling of dynamic processes in elements of the systems and complexes. As mathematical models ordinary differential equations have been used. The coefficients of the equations of the models can be nonlinear functions of the process. The projection-grid method is used as the main tool. It has been described iterative method algorithms taking into account the approximate solution prior to the first iteration and proposed adaptive control computing process. The original method of estimation error in the calculation solutions as well as for a given level of error of the technique solutions purpose adaptive method for solving configuration parameters is offered. A method for setting an adaptive method for solving the settings for a given level of error is given. The proposed method can be used for distributed computing.

Computational Models for Nonlinear Aeroelastic Systems, Phase II

Data.gov (United States)

National Aeronautics and Space Administration — Clear Science Corp. and Duke University propose to develop and demonstrate new and efficient computational methods of modeling nonlinear aeroelastic systems. The...

Computational Aerodynamic Simulations of a 1215 ft/sec Tip Speed Transonic Fan System Model for Acoustic Methods Assessment and Development

Science.gov (United States)

Tweedt, Daniel L.

2014-01-01

Computational Aerodynamic simulations of a 1215 ft/sec tip speed transonic fan system were performed at five different operating points on the fan operating line, in order to provide detailed internal flow field information for use with fan acoustic prediction methods presently being developed, assessed and validated. The fan system is a sub-scale, low-noise research fan/nacelle model that has undergone extensive experimental testing in the 9- by 15-foot Low Speed Wind Tunnel at the NASA Glenn Research Center. Details of the fan geometry, the computational fluid dynamics methods, the computational grids, and various computational parameters relevant to the numerical simulations are discussed. Flow field results for three of the five operating points simulated are presented in order to provide a representative look at the computed solutions. Each of the five fan aerodynamic simulations involved the entire fan system, which for this model did not include a split flow path with core and bypass ducts. As a result, it was only necessary to adjust fan rotational speed in order to set the fan operating point, leading to operating points that lie on a fan operating line and making mass flow rate a fully dependent parameter. The resulting mass flow rates are in good agreement with measurement values. Computed blade row flow fields at all fan operating points are, in general, aerodynamically healthy. Rotor blade and fan exit guide vane flow characteristics are good, including incidence and deviation angles, chordwise static pressure distributions, blade surface boundary layers, secondary flow structures, and blade wakes. Examination of the flow fields at all operating conditions reveals no excessive boundary layer separations or related secondary-flow problems.

Using Computational and Mechanical Models to Study Animal Locomotion

OpenAIRE

Miller, Laura A.; Goldman, Daniel I.; Hedrick, Tyson L.; Tytell, Eric D.; Wang, Z. Jane; Yen, Jeannette; Alben, Silas

2012-01-01

Recent advances in computational methods have made realistic large-scale simulations of animal locomotion possible. This has resulted in numerous mathematical and computational studies of animal movement through fluids and over substrates with the purpose of better understanding organisms’ performance and improving the design of vehicles moving through air and water and on land. This work has also motivated the development of improved numerical methods and modeling techniques for animal locom...

Computational methods for fluid dynamics

CERN Document Server

Ferziger, Joel H

2002-01-01

In its 3rd revised and extended edition the book offers an overview of the techniques used to solve problems in fluid mechanics on computers and describes in detail those most often used in practice. Included are advanced methods in computational fluid dynamics, like direct and large-eddy simulation of turbulence, multigrid methods, parallel computing, moving grids, structured, block-structured and unstructured boundary-fitted grids, free surface flows. The 3rd edition contains a new section dealing with grid quality and an extended description of discretization methods. The book shows common roots and basic principles for many different methods. The book also contains a great deal of practical advice for code developers and users, it is designed to be equally useful to beginners and experts. The issues of numerical accuracy, estimation and reduction of numerical errors are dealt with in detail, with many examples. A full-feature user-friendly demo-version of a commercial CFD software has been added, which ca...

Methods for computing color anaglyphs

Science.gov (United States)

McAllister, David F.; Zhou, Ya; Sullivan, Sophia

2010-02-01

A new computation technique is presented for calculating pixel colors in anaglyph images. The method depends upon knowing the RGB spectral distributions of the display device and the transmission functions of the filters in the viewing glasses. It requires the solution of a nonlinear least-squares program for each pixel in a stereo pair and is based on minimizing color distances in the CIEL*a*b* uniform color space. The method is compared with several techniques for computing anaglyphs including approximation in CIE space using the Euclidean and Uniform metrics, the Photoshop method and its variants, and a method proposed by Peter Wimmer. We also discuss the methods of desaturation and gamma correction for reducing retinal rivalry.

Ewe: a computer model for ultrasonic inspection

International Nuclear Information System (INIS)

Douglas, S.R.; Chaplin, K.R.

1991-11-01

The computer program EWE simulates the propagation of elastic waves in solids and liquids. It has been applied to ultrasonic testing to study the echoes generated by cracks and other types of defects. A discussion of the elastic wave equations is given, including the first-order formulation, shear and compression waves, surface waves and boundaries, numerical method of solution, models for cracks and slot defects, input wave generation, returning echo construction, and general computer issues

ADGEN: ADjoint GENerator for computer models

Energy Technology Data Exchange (ETDEWEB)

Worley, B.A.; Pin, F.G.; Horwedel, J.E.; Oblow, E.M.

1989-05-01

This paper presents the development of a FORTRAN compiler and an associated supporting software library called ADGEN. ADGEN reads FORTRAN models as input and produces and enhanced version of the input model. The enhanced version reproduces the original model calculations but also has the capability to calculate derivatives of model results of interest with respect to any and all of the model data and input parameters. The method for calculating the derivatives and sensitivities is the adjoint method. Partial derivatives are calculated analytically using computer calculus and saved as elements of an adjoint matrix on direct assess storage. The total derivatives are calculated by solving an appropriate adjoint equation. ADGEN is applied to a major computer model of interest to the Low-Level Waste Community, the PRESTO-II model. PRESTO-II sample problem results reveal that ADGEN correctly calculates derivatives of response of interest with respect to 300 parameters. The execution time to create the adjoint matrix is a factor of 45 times the execution time of the reference sample problem. Once this matrix is determined, the derivatives with respect to 3000 parameters are calculated in a factor of 6.8 that of the reference model for each response of interest. For a single 3000 for determining these derivatives by parameter perturbations. The automation of the implementation of the adjoint technique for calculating derivatives and sensitivities eliminates the costly and manpower-intensive task of direct hand-implementation by reprogramming and thus makes the powerful adjoint technique more amenable for use in sensitivity analysis of existing models. 20 refs., 1 fig., 5 tabs.

ADGEN: ADjoint GENerator for computer models

International Nuclear Information System (INIS)

Worley, B.A.; Pin, F.G.; Horwedel, J.E.; Oblow, E.M.

1989-05-01

This paper presents the development of a FORTRAN compiler and an associated supporting software library called ADGEN. ADGEN reads FORTRAN models as input and produces and enhanced version of the input model. The enhanced version reproduces the original model calculations but also has the capability to calculate derivatives of model results of interest with respect to any and all of the model data and input parameters. The method for calculating the derivatives and sensitivities is the adjoint method. Partial derivatives are calculated analytically using computer calculus and saved as elements of an adjoint matrix on direct assess storage. The total derivatives are calculated by solving an appropriate adjoint equation. ADGEN is applied to a major computer model of interest to the Low-Level Waste Community, the PRESTO-II model. PRESTO-II sample problem results reveal that ADGEN correctly calculates derivatives of response of interest with respect to 300 parameters. The execution time to create the adjoint matrix is a factor of 45 times the execution time of the reference sample problem. Once this matrix is determined, the derivatives with respect to 3000 parameters are calculated in a factor of 6.8 that of the reference model for each response of interest. For a single 3000 for determining these derivatives by parameter perturbations. The automation of the implementation of the adjoint technique for calculating derivatives and sensitivities eliminates the costly and manpower-intensive task of direct hand-implementation by reprogramming and thus makes the powerful adjoint technique more amenable for use in sensitivity analysis of existing models. 20 refs., 1 fig., 5 tabs

Models of optical quantum computing

Directory of Open Access Journals (Sweden)

Krovi Hari

2017-03-01

Full Text Available I review some work on models of quantum computing, optical implementations of these models, as well as the associated computational power. In particular, we discuss the circuit model and cluster state implementations using quantum optics with various encodings such as dual rail encoding, Gottesman-Kitaev-Preskill encoding, and coherent state encoding. Then we discuss intermediate models of optical computing such as boson sampling and its variants. Finally, we review some recent work in optical implementations of adiabatic quantum computing and analog optical computing. We also provide a brief description of the relevant aspects from complexity theory needed to understand the results surveyed.

Validation of a phytoremediation computer model

Energy Technology Data Exchange (ETDEWEB)

Corapcioglu, M Y; Sung, K; Rhykerd, R L; Munster, C; Drew, M [Texas A and M Univ., College Station, TX (United States)

1999-01-01

The use of plants to stimulate remediation of contaminated soil is an effective, low-cost cleanup method which can be applied to many different sites. A phytoremediation computer model has been developed to simulate how recalcitrant hydrocarbons interact with plant roots in unsaturated soil. A study was conducted to provide data to validate and calibrate the model. During the study, lysimeters were constructed and filled with soil contaminated with 10 [mg kg[sub -1

Computational Models for Nonlinear Aeroelastic Systems, Phase I

Data.gov (United States)

National Aeronautics and Space Administration — Clear Science Corp. and Duke University propose to develop and demonstrate a new and efficient computational method of modeling nonlinear aeroelastic systems. The...

Enabling Grid Computing resources within the KM3NeT computing model

Directory of Open Access Journals (Sweden)

Filippidis Christos

2016-01-01

Full Text Available KM3NeT is a future European deep-sea research infrastructure hosting a new generation neutrino detectors that – located at the bottom of the Mediterranean Sea – will open a new window on the universe and answer fundamental questions both in particle physics and astrophysics. International collaborative scientific experiments, like KM3NeT, are generating datasets which are increasing exponentially in both complexity and volume, making their analysis, archival, and sharing one of the grand challenges of the 21st century. These experiments, in their majority, adopt computing models consisting of different Tiers with several computing centres and providing a specific set of services for the different steps of data processing such as detector calibration, simulation and data filtering, reconstruction and analysis. The computing requirements are extremely demanding and, usually, span from serial to multi-parallel or GPU-optimized jobs. The collaborative nature of these experiments demands very frequent WAN data transfers and data sharing among individuals and groups. In order to support the aforementioned demanding computing requirements we enabled Grid Computing resources, operated by EGI, within the KM3NeT computing model. In this study we describe our first advances in this field and the method for the KM3NeT users to utilize the EGI computing resources in a simulation-driven use-case.

Computer models for optimizing radiation therapy

International Nuclear Information System (INIS)

Duechting, W.

1998-01-01

The aim of this contribution is to outline how methods of system analysis, control therapy and modelling can be applied to simulate normal and malignant cell growth and to optimize cancer treatment as for instance radiation therapy. Based on biological observations and cell kinetic data, several types of models have been developed describing the growth of tumor spheroids and the cell renewal of normal tissue. The irradiation model is represented by the so-called linear-quadratic model describing the survival fraction as a function of the dose. Based thereon, numerous simulation runs for different treatment schemes can be performed. Thus, it is possible to study the radiation effect on tumor and normal tissue separately. Finally, this method enables a computer-assisted recommendation for an optimal patient-specific treatment schedule prior to clinical therapy. (orig.) [de

Systems, methods and computer-readable media for modeling cell performance fade of rechargeable electrochemical devices

Science.gov (United States)

Gering, Kevin L

2013-08-27

A system includes an electrochemical cell, monitoring hardware, and a computing system. The monitoring hardware periodically samples performance characteristics of the electrochemical cell. The computing system determines cell information from the performance characteristics of the electrochemical cell. The computing system also develops a mechanistic level model of the electrochemical cell to determine performance fade characteristics of the electrochemical cell and analyzing the mechanistic level model to estimate performance fade characteristics over aging of a similar electrochemical cell. The mechanistic level model uses first constant-current pulses applied to the electrochemical cell at a first aging period and at three or more current values bracketing a first exchange current density. The mechanistic level model also is based on second constant-current pulses applied to the electrochemical cell at a second aging period and at three or more current values bracketing the second exchange current density.

Finite difference computing with exponential decay models

CERN Document Server

Langtangen, Hans Petter

2016-01-01

This text provides a very simple, initial introduction to the complete scientific computing pipeline: models, discretization, algorithms, programming, verification, and visualization. The pedagogical strategy is to use one case study – an ordinary differential equation describing exponential decay processes – to illustrate fundamental concepts in mathematics and computer science. The book is easy to read and only requires a command of one-variable calculus and some very basic knowledge about computer programming. Contrary to similar texts on numerical methods and programming, this text has a much stronger focus on implementation and teaches testing and software engineering in particular. .

Computational Methods for Large Spatio-temporal Datasets and Functional Data Ranking

KAUST Repository

Huang, Huang

2017-07-16

This thesis focuses on two topics, computational methods for large spatial datasets and functional data ranking. Both are tackling the challenges of big and high-dimensional data. The first topic is motivated by the prohibitive computational burden in fitting Gaussian process models to large and irregularly spaced spatial datasets. Various approximation methods have been introduced to reduce the computational cost, but many rely on unrealistic assumptions about the process and retaining statistical efficiency remains an issue. We propose a new scheme to approximate the maximum likelihood estimator and the kriging predictor when the exact computation is infeasible. The proposed method provides different types of hierarchical low-rank approximations that are both computationally and statistically efficient. We explore the improvement of the approximation theoretically and investigate the performance by simulations. For real applications, we analyze a soil moisture dataset with 2 million measurements with the hierarchical low-rank approximation and apply the proposed fast kriging to fill gaps for satellite images. The second topic is motivated by rank-based outlier detection methods for functional data. Compared to magnitude outliers, it is more challenging to detect shape outliers as they are often masked among samples. We develop a new notion of functional data depth by taking the integration of a univariate depth function. Having a form of the integrated depth, it shares many desirable features. Furthermore, the novel formation leads to a useful decomposition for detecting both shape and magnitude outliers. Our simulation studies show the proposed outlier detection procedure outperforms competitors in various outlier models. We also illustrate our methodology using real datasets of curves, images, and video frames. Finally, we introduce the functional data ranking technique to spatio-temporal statistics for visualizing and assessing covariance properties, such as

Toward a computational model of hemostasis

Science.gov (United States)

Leiderman, Karin; Danes, Nicholas; Schoeman, Rogier; Neeves, Keith

2017-11-01

Hemostasis is the process by which a blood clot forms to prevent bleeding at a site of injury. The formation time, size and structure of a clot depends on the local hemodynamics and the nature of the injury. Our group has previously developed computational models to study intravascular clot formation, a process confined to the interior of a single vessel. Here we present the first stage of an experimentally-validated, computational model of extravascular clot formation (hemostasis) in which blood through a single vessel initially escapes through a hole in the vessel wall and out a separate injury channel. This stage of the model consists of a system of partial differential equations that describe platelet aggregation and hemodynamics, solved via the finite element method. We also present results from the analogous, in vitro, microfluidic model. In both models, formation of a blood clot occludes the injury channel and stops flow from escaping while blood in the main vessel retains its fluidity. We discuss the different biochemical and hemodynamic effects on clot formation using distinct geometries representing intra- and extravascular injuries.

Non-linear heat transfer computer code by finite element method

International Nuclear Information System (INIS)

Nagato, Kotaro; Takikawa, Noboru

1977-01-01

The computer code THETA-2D for the calculation of temperature distribution by the two-dimensional finite element method was made for the analysis of heat transfer in a high temperature structure. Numerical experiment was performed for the numerical integration of the differential equation of heat conduction. The Runge-Kutta method of the numerical experiment produced an unstable solution. A stable solution was obtained by the β method with the β value of 0.35. In high temperature structures, the radiative heat transfer can not be neglected. To introduce a term of the radiative heat transfer, a functional neglecting the radiative heat transfer was derived at first. Then, the radiative term was added after the discretion by variation method. Five model calculations were carried out by the computer code. Calculation of steady heat conduction was performed. When estimated initial temperature is 1,000 degree C, reasonable heat blance was obtained. In case of steady-unsteady temperature calculation, the time integral by THETA-2D turned out to be under-estimation for enthalpy change. With a one-dimensional model, the temperature distribution in a structure, in which heat conductivity is dependent on temperature, was calculated. Calculation with a model which has a void inside was performed. Finally, model calculation for a complex system was carried out. (Kato, T.)

Double folding model of nucleus-nucleus potential: formulae, iteration method and computer code

International Nuclear Information System (INIS)

Luk'yanov, K.V.

2008-01-01

Method of construction of the nucleus-nucleus double folding potential is described. Iteration procedure for the corresponding integral equation is presented. Computer code and numerical results are presented

Modeling with data tools and techniques for scientific computing

CERN Document Server

Klemens, Ben

2009-01-01

Modeling with Data fully explains how to execute computationally intensive analyses on very large data sets, showing readers how to determine the best methods for solving a variety of different problems, how to create and debug statistical models, and how to run an analysis and evaluate the results. Ben Klemens introduces a set of open and unlimited tools, and uses them to demonstrate data management, analysis, and simulation techniques essential for dealing with large data sets and computationally intensive procedures. He then demonstrates how to easily apply these tools to the many threads of statistical technique, including classical, Bayesian, maximum likelihood, and Monte Carlo methods

Overhead Crane Computer Model

Science.gov (United States)

Enin, S. S.; Omelchenko, E. Y.; Fomin, N. V.; Beliy, A. V.

2018-03-01

The paper has a description of a computer model of an overhead crane system. The designed overhead crane system consists of hoisting, trolley and crane mechanisms as well as a payload two-axis system. With the help of the differential equation of specified mechanisms movement derived through Lagrange equation of the II kind, it is possible to build an overhead crane computer model. The computer model was obtained using Matlab software. Transients of coordinate, linear speed and motor torque of trolley and crane mechanism systems were simulated. In addition, transients of payload swaying were obtained with respect to the vertical axis. A trajectory of the trolley mechanism with simultaneous operation with the crane mechanism is represented in the paper as well as a two-axis trajectory of payload. The designed computer model of an overhead crane is a great means for studying positioning control and anti-sway control systems.

Using AMDD method for Database Design in Mobile Cloud Computing Systems

OpenAIRE

Silviu Claudiu POPA; Mihai-Constantin AVORNICULUI; Vasile Paul BRESFELEAN

2013-01-01

The development of the technologies of wireless telecommunications gave birth of new kinds of e-commerce, the so called Mobile e-Commerce or m-Commerce. Mobile Cloud Computing (MCC) represents a new IT research area that combines mobile computing and cloud compu-ting techniques. Behind a cloud mobile commerce system there is a database containing all necessary information for transactions. By means of Agile Model Driven Development (AMDD) method, we are able to achieve many benefits that smoo...

Advanced computational electromagnetic methods and applications

CERN Document Server

Li, Wenxing; Elsherbeni, Atef; Rahmat-Samii, Yahya

2015-01-01

This new resource covers the latest developments in computational electromagnetic methods, with emphasis on cutting-edge applications. This book is designed to extend existing literature to the latest development in computational electromagnetic methods, which are of interest to readers in both academic and industrial areas. The topics include advanced techniques in MoM, FEM and FDTD, spectral domain method, GPU and Phi hardware acceleration, metamaterials, frequency and time domain integral equations, and statistics methods in bio-electromagnetics.

Materials and nanosystems : interdisciplinary computational modeling at multiple scales

International Nuclear Information System (INIS)

Huber, S.E.

2014-01-01

Over the last five decades, computer simulation and numerical modeling have become valuable tools complementing the traditional pillars of science, experiment and theory. In this thesis, several applications of computer-based simulation and modeling shall be explored in order to address problems and open issues in chemical and molecular physics. Attention shall be paid especially to the different degrees of interrelatedness and multiscale-flavor, which may - at least to some extent - be regarded as inherent properties of computational chemistry. In order to do so, a variety of computational methods are used to study features of molecular systems which are of relevance in various branches of science and which correspond to different spatial and/or temporal scales. Proceeding from small to large measures, first, an application in astrochemistry, the investigation of spectroscopic and energetic aspects of carbonic acid isomers shall be discussed. In this respect, very accurate and hence at the same time computationally very demanding electronic structure methods like the coupled-cluster approach are employed. These studies are followed by the discussion of an application in the scope of plasma-wall interaction which is related to nuclear fusion research. There, the interactions of atoms and molecules with graphite surfaces are explored using density functional theory methods. The latter are computationally cheaper than coupled-cluster methods and thus allow the treatment of larger molecular systems, but yield less accuracy and especially reduced error control at the same time. The subsequently presented exploration of surface defects at low-index polar zinc oxide surfaces, which are of interest in materials science and surface science, is another surface science application. The necessity to treat even larger systems of several hundreds of atoms requires the use of approximate density functional theory methods. Thin gold nanowires consisting of several thousands of

Computational Methods in Stochastic Dynamics Volume 2

CERN Document Server

Stefanou, George; Papadopoulos, Vissarion

2013-01-01

The considerable influence of inherent uncertainties on structural behavior has led the engineering community to recognize the importance of a stochastic approach to structural problems. Issues related to uncertainty quantification and its influence on the reliability of the computational models are continuously gaining in significance. In particular, the problems of dynamic response analysis and reliability assessment of structures with uncertain system and excitation parameters have been the subject of continuous research over the last two decades as a result of the increasing availability of powerful computing resources and technology.   This book is a follow up of a previous book with the same subject (ISBN 978-90-481-9986-0) and focuses on advanced computational methods and software tools which can highly assist in tackling complex problems in stochastic dynamic/seismic analysis and design of structures. The selected chapters are authored by some of the most active scholars in their respective areas and...

Computation of short-time diffusion using the particle simulation method

International Nuclear Information System (INIS)

Janicke, L.

1983-01-01

The method of particle simulation allows a correct description of turbulent diffusion even in areas near the source and the computation of overall average values (anticipated values). The model is suitable for dealing with complex situation. It is derived from the K-model which describes the dispersion of noxious matter using the diffusion formula. (DG) [de

Integrating interactive computational modeling in biology curricula.

Directory of Open Access Journals (Sweden)

Tomáš Helikar

2015-03-01

Full Text Available While the use of computer tools to simulate complex processes such as computer circuits is normal practice in fields like engineering, the majority of life sciences/biological sciences courses continue to rely on the traditional textbook and memorization approach. To address this issue, we explored the use of the Cell Collective platform as a novel, interactive, and evolving pedagogical tool to foster student engagement, creativity, and higher-level thinking. Cell Collective is a Web-based platform used to create and simulate dynamical models of various biological processes. Students can create models of cells, diseases, or pathways themselves or explore existing models. This technology was implemented in both undergraduate and graduate courses as a pilot study to determine the feasibility of such software at the university level. First, a new (In Silico Biology class was developed to enable students to learn biology by "building and breaking it" via computer models and their simulations. This class and technology also provide a non-intimidating way to incorporate mathematical and computational concepts into a class with students who have a limited mathematical background. Second, we used the technology to mediate the use of simulations and modeling modules as a learning tool for traditional biological concepts, such as T cell differentiation or cell cycle regulation, in existing biology courses. Results of this pilot application suggest that there is promise in the use of computational modeling and software tools such as Cell Collective to provide new teaching methods in biology and contribute to the implementation of the "Vision and Change" call to action in undergraduate biology education by providing a hands-on approach to biology.

Integrating interactive computational modeling in biology curricula.

Science.gov (United States)

Helikar, Tomáš; Cutucache, Christine E; Dahlquist, Lauren M; Herek, Tyler A; Larson, Joshua J; Rogers, Jim A

2015-03-01

While the use of computer tools to simulate complex processes such as computer circuits is normal practice in fields like engineering, the majority of life sciences/biological sciences courses continue to rely on the traditional textbook and memorization approach. To address this issue, we explored the use of the Cell Collective platform as a novel, interactive, and evolving pedagogical tool to foster student engagement, creativity, and higher-level thinking. Cell Collective is a Web-based platform used to create and simulate dynamical models of various biological processes. Students can create models of cells, diseases, or pathways themselves or explore existing models. This technology was implemented in both undergraduate and graduate courses as a pilot study to determine the feasibility of such software at the university level. First, a new (In Silico Biology) class was developed to enable students to learn biology by "building and breaking it" via computer models and their simulations. This class and technology also provide a non-intimidating way to incorporate mathematical and computational concepts into a class with students who have a limited mathematical background. Second, we used the technology to mediate the use of simulations and modeling modules as a learning tool for traditional biological concepts, such as T cell differentiation or cell cycle regulation, in existing biology courses. Results of this pilot application suggest that there is promise in the use of computational modeling and software tools such as Cell Collective to provide new teaching methods in biology and contribute to the implementation of the "Vision and Change" call to action in undergraduate biology education by providing a hands-on approach to biology.

Analysis of the applicability of geophysical methods and computer modelling in determining groundwater level

Science.gov (United States)

Czaja, Klaudia; Matula, Rafal

2014-05-01

The paper presents analysis of the possibilities of application geophysical methods to investigation groundwater conditions. In this paper groundwater is defined as liquid water flowing through shallow aquifers. Groundwater conditions are described through the distribution of permeable layers (like sand, gravel, fractured rock) and impermeable or low-permeable layers (like clay, till, solid rock) in the subsurface. GPR (Ground Penetrating Radar), ERT(Electrical Resistivity Tomography), VES (Vertical Electric Soundings) and seismic reflection, refraction and MASW (Multichannel Analysis of Surface Waves) belong to non - invasive, surface, geophysical methods. Due to differences in physical parameters like dielectric constant, resistivity, density and elastic properties for saturated and saturated zones it is possible to use geophysical techniques for groundwater investigations. Few programmes for GPR, ERT, VES and seismic modelling were applied in order to verify and compare results. Models differ in values of physical parameters such as dielectric constant, electrical conductivity, P and S-wave velocity and the density, layers thickness and the depth of occurrence of the groundwater level. Obtained results for computer modelling for GPR and seismic methods and interpretation of test field measurements are presented. In all of this methods vertical resolution is the most important issue in groundwater investigations. This require proper measurement methodology e.g. antennas with frequencies high enough, Wenner array in electrical surveys, proper geometry for seismic studies. Seismic velocities of unconsolidated rocks like sand and gravel are strongly influenced by porosity and water saturation. No influence of water saturation degree on seismic velocities is observed below a value of about 90% water saturation. A further saturation increase leads to a strong increase of P-wave velocity and a slight decrease of S-wave velocity. But in case of few models only the

Emerging Trends in Heart Valve Engineering: Part IV. Computational Modeling and Experimental Studies.

Science.gov (United States)

Kheradvar, Arash; Groves, Elliott M; Falahatpisheh, Ahmad; Mofrad, Mohammad K; Hamed Alavi, S; Tranquillo, Robert; Dasi, Lakshmi P; Simmons, Craig A; Jane Grande-Allen, K; Goergen, Craig J; Baaijens, Frank; Little, Stephen H; Canic, Suncica; Griffith, Boyce

2015-10-01

In this final portion of an extensive review of heart valve engineering, we focus on the computational methods and experimental studies related to heart valves. The discussion begins with a thorough review of computational modeling and the governing equations of fluid and structural interaction. We then move onto multiscale and disease specific modeling. Finally, advanced methods related to in vitro testing of the heart valves are reviewed. This section of the review series is intended to illustrate application of computational methods and experimental studies and their interrelation for studying heart valves.

Method and apparatus for modeling, visualization and analysis of materials

KAUST Repository

Aboulhassan, Amal

2016-08-25

A method, apparatus, and computer readable medium are provided for modeling of materials and visualization of properties of the materials. An example method includes receiving data describing a set of properties of a material, and computing, by a processor and based on the received data, geometric features of the material. The example method further includes extracting, by the processor, particle paths within the material based on the computed geometric features, and geometrically modeling, by the processor, the material using the geometric features and the extracted particle paths. The example method further includes generating, by the processor and based on the geometric modeling of the material, one or more visualizations regarding the material, and causing display, by a user interface, of the one or more visualizations.

Robust fault detection of linear systems using a computationally efficient set-membership method

DEFF Research Database (Denmark)

Tabatabaeipour, Mojtaba; Bak, Thomas

2014-01-01

In this paper, a computationally efficient set-membership method for robust fault detection of linear systems is proposed. The method computes an interval outer-approximation of the output of the system that is consistent with the model, the bounds on noise and disturbance, and the past measureme...... is trivially parallelizable. The method is demonstrated for fault detection of a hydraulic pitch actuator of a wind turbine. We show the effectiveness of the proposed method by comparing our results with two zonotope-based set-membership methods....

Accuracy of the microcanonical Lanczos method to compute real-frequency dynamical spectral functions of quantum models at finite temperatures.

Science.gov (United States)

Okamoto, Satoshi; Alvarez, Gonzalo; Dagotto, Elbio; Tohyama, Takami

2018-04-01

We examine the accuracy of the microcanonical Lanczos method (MCLM) developed by Long et al. [Phys. Rev. B 68, 235106 (2003)PRBMDO0163-182910.1103/PhysRevB.68.235106] to compute dynamical spectral functions of interacting quantum models at finite temperatures. The MCLM is based on the microcanonical ensemble, which becomes exact in the thermodynamic limit. To apply the microcanonical ensemble at a fixed temperature, one has to find energy eigenstates with the energy eigenvalue corresponding to the internal energy in the canonical ensemble. Here, we propose to use thermal pure quantum state methods by Sugiura and Shimizu [Phys. Rev. Lett. 111, 010401 (2013)PRLTAO0031-900710.1103/PhysRevLett.111.010401] to obtain the internal energy. After obtaining the energy eigenstates using the Lanczos diagonalization method, dynamical quantities are computed via a continued fraction expansion, a standard procedure for Lanczos-based numerical methods. Using one-dimensional antiferromagnetic Heisenberg chains with S=1/2, we demonstrate that the proposed procedure is reasonably accurate, even for relatively small systems.

Computer support for physiological cell modelling using an ontology on cell physiology.

Science.gov (United States)

Takao, Shimayoshi; Kazuhiro, Komurasaki; Akira, Amano; Takeshi, Iwashita; Masanori, Kanazawa; Tetsuya, Matsuda

2006-01-01

The development of electrophysiological whole cell models to support the understanding of biological mechanisms is increasing rapidly. Due to the complexity of biological systems, comprehensive cell models, which are composed of many imported sub-models of functional elements, can get quite complicated as well, making computer modification difficult. Here, we propose a computer support to enhance structural changes of cell models, employing the markup languages CellML and our original PMSML (physiological model structure markup language), in addition to a new ontology for cell physiological modelling. In particular, a method to make references from CellML files to the ontology and a method to assist manipulation of model structures using markup languages together with the ontology are reported. Using these methods three software utilities, including a graphical model editor, are implemented. Experimental results proved that these methods are effective for the modification of electrophysiological models.

Computational Modeling of Complex Protein Activity Networks

NARCIS (Netherlands)

Schivo, Stefano; Leijten, Jeroen; Karperien, Marcel; Post, Janine N.; Prignet, Claude

2017-01-01

Because of the numerous entities interacting, the complexity of the networks that regulate cell fate makes it impossible to analyze and understand them using the human brain alone. Computational modeling is a powerful method to unravel complex systems. We recently described the development of a

Computational Methods in Plasma Physics

CERN Document Server

Jardin, Stephen

2010-01-01

Assuming no prior knowledge of plasma physics or numerical methods, Computational Methods in Plasma Physics covers the computational mathematics and techniques needed to simulate magnetically confined plasmas in modern magnetic fusion experiments and future magnetic fusion reactors. Largely self-contained, the text presents the basic concepts necessary for the numerical solution of partial differential equations. Along with discussing numerical stability and accuracy, the author explores many of the algorithms used today in enough depth so that readers can analyze their stability, efficiency,

Recent advances in computational methods and clinical applications for spine imaging

CERN Document Server

Glocker, Ben; Klinder, Tobias; Li, Shuo

2015-01-01

This book contains the full papers presented at the MICCAI 2014 workshop on Computational Methods and Clinical Applications for Spine Imaging. The workshop brought together scientists and clinicians in the field of computational spine imaging. The chapters included in this book present and discuss the new advances and challenges in these fields, using several methods and techniques in order to address more efficiently different and timely applications involving signal and image acquisition, image processing and analysis, image segmentation, image registration and fusion, computer simulation, image based modeling, simulation and surgical planning, image guided robot assisted surgical and image based diagnosis. The book also includes papers and reports from the first challenge on vertebra segmentation held at the workshop.

Accuracy evaluation of dental models manufactured by CAD/CAM milling method and 3D printing method.

Science.gov (United States)

Jeong, Yoo-Geum; Lee, Wan-Sun; Lee, Kyu-Bok

2018-06-01

To evaluate the accuracy of a model made using the computer-aided design/computer-aided manufacture (CAD/CAM) milling method and 3D printing method and to confirm its applicability as a work model for dental prosthesis production. First, a natural tooth model (ANA-4, Frasaco, Germany) was scanned using an oral scanner. The obtained scan data were then used as a CAD reference model (CRM), to produce a total of 10 models each, either using the milling method or the 3D printing method. The 20 models were then scanned using a desktop scanner and the CAD test model was formed. The accuracy of the two groups was compared using dedicated software to calculate the root mean square (RMS) value after superimposing CRM and CAD test model (CTM). The RMS value (152±52 µm) of the model manufactured by the milling method was significantly higher than the RMS value (52±9 µm) of the model produced by the 3D printing method. The accuracy of the 3D printing method is superior to that of the milling method, but at present, both methods are limited in their application as a work model for prosthesis manufacture.

Advanced computational tools and methods for nuclear analyses of fusion technology systems

International Nuclear Information System (INIS)

Fischer, U.; Chen, Y.; Pereslavtsev, P.; Simakov, S.P.; Tsige-Tamirat, H.; Loughlin, M.; Perel, R.L.; Petrizzi, L.; Tautges, T.J.; Wilson, P.P.H.

2005-01-01

An overview is presented of advanced computational tools and methods developed recently for nuclear analyses of Fusion Technology systems such as the experimental device ITER ('International Thermonuclear Experimental Reactor') and the intense neutron source IFMIF ('International Fusion Material Irradiation Facility'). These include Monte Carlo based computational schemes for the calculation of three-dimensional shut-down dose rate distributions, methods, codes and interfaces for the use of CAD geometry models in Monte Carlo transport calculations, algorithms for Monte Carlo based sensitivity/uncertainty calculations, as well as computational techniques and data for IFMIF neutronics and activation calculations. (author)

Graph modeling systems and methods

Science.gov (United States)

Neergaard, Mike

2015-10-13

An apparatus and a method for vulnerability and reliability modeling are provided. The method generally includes constructing a graph model of a physical network using a computer, the graph model including a plurality of terminating vertices to represent nodes in the physical network, a plurality of edges to represent transmission paths in the physical network, and a non-terminating vertex to represent a non-nodal vulnerability along a transmission path in the physical network. The method additionally includes evaluating the vulnerability and reliability of the physical network using the constructed graph model, wherein the vulnerability and reliability evaluation includes a determination of whether each terminating and non-terminating vertex represents a critical point of failure. The method can be utilized to evaluate wide variety of networks, including power grid infrastructures, communication network topologies, and fluid distribution systems.

Converting differential-equation models of biological systems to membrane computing.

Science.gov (United States)

Muniyandi, Ravie Chandren; Zin, Abdullah Mohd; Sanders, J W

2013-12-01

This paper presents a method to convert the deterministic, continuous representation of a biological system by ordinary differential equations into a non-deterministic, discrete membrane computation. The dynamics of the membrane computation is governed by rewrite rules operating at certain rates. That has the advantage of applying accurately to small systems, and to expressing rates of change that are determined locally, by region, but not necessary globally. Such spatial information augments the standard differentiable approach to provide a more realistic model. A biological case study of the ligand-receptor network of protein TGF-β is used to validate the effectiveness of the conversion method. It demonstrates the sense in which the behaviours and properties of the system are better preserved in the membrane computing model, suggesting that the proposed conversion method may prove useful for biological systems in particular. Copyright © 2013 Elsevier Ireland Ltd. All rights reserved.

Computationally Modeling Interpersonal Trust

Directory of Open Access Journals (Sweden)

Jin Joo eLee

2013-12-01

Full Text Available We present a computational model capable of predicting—above human accuracy—the degree of trust a person has toward their novel partner by observing the trust-related nonverbal cues expressed in their social interaction. We summarize our prior work, in which we identify nonverbal cues that signal untrustworthy behavior and also demonstrate the human mind’s readiness to interpret those cues to assess the trustworthiness of a social robot. We demonstrate that domain knowledge gained from our prior work using human-subjects experiments, when incorporated into the feature engineering process, permits a computational model to outperform both human predictions and a baseline model built in naivete' of this domain knowledge. We then present the construction of hidden Markov models to incorporate temporal relationships among the trust-related nonverbal cues. By interpreting the resulting learned structure, we observe that models built to emulate different levels of trust exhibit different sequences of nonverbal cues. From this observation, we derived sequence-based temporal features that further improve the accuracy of our computational model. Our multi-step research process presented in this paper combines the strength of experimental manipulation and machine learning to not only design a computational trust model but also to further our understanding of the dynamics of interpersonal trust.

A Review of Computational Methods to Predict the Risk of Rupture of Abdominal Aortic Aneurysms

Directory of Open Access Journals (Sweden)

Tejas Canchi

2015-01-01

Full Text Available Computational methods have played an important role in health care in recent years, as determining parameters that affect a certain medical condition is not possible in experimental conditions in many cases. Computational fluid dynamics (CFD methods have been used to accurately determine the nature of blood flow in the cardiovascular and nervous systems and air flow in the respiratory system, thereby giving the surgeon a diagnostic tool to plan treatment accordingly. Machine learning or data mining (MLD methods are currently used to develop models that learn from retrospective data to make a prediction regarding factors affecting the progression of a disease. These models have also been successful in incorporating factors such as patient history and occupation. MLD models can be used as a predictive tool to determine rupture potential in patients with abdominal aortic aneurysms (AAA along with CFD-based prediction of parameters like wall shear stress and pressure distributions. A combination of these computer methods can be pivotal in bridging the gap between translational and outcomes research in medicine. This paper reviews the use of computational methods in the diagnosis and treatment of AAA.

Computational Modeling of Space Physiology

Science.gov (United States)

Lewandowski, Beth E.; Griffin, Devon W.

2016-01-01

The Digital Astronaut Project (DAP), within NASAs Human Research Program, develops and implements computational modeling for use in the mitigation of human health and performance risks associated with long duration spaceflight. Over the past decade, DAP developed models to provide insights into space flight related changes to the central nervous system, cardiovascular system and the musculoskeletal system. Examples of the models and their applications include biomechanical models applied to advanced exercise device development, bone fracture risk quantification for mission planning, accident investigation, bone health standards development, and occupant protection. The International Space Station (ISS), in its role as a testing ground for long duration spaceflight, has been an important platform for obtaining human spaceflight data. DAP has used preflight, in-flight and post-flight data from short and long duration astronauts for computational model development and validation. Examples include preflight and post-flight bone mineral density data, muscle cross-sectional area, and muscle strength measurements. Results from computational modeling supplement space physiology research by informing experimental design. Using these computational models, DAP personnel can easily identify both important factors associated with a phenomenon and areas where data are lacking. This presentation will provide examples of DAP computational models, the data used in model development and validation, and applications of the model.

Fluid history computation methods for reactor safeguards problems using MNODE computer program

International Nuclear Information System (INIS)

Huang, Y.S.; Savery, C.W.

1976-10-01

A method for predicting the pressure-temperature histories of air, water liquid, and vapor flowing in a zoned containment as a result of high energy pipe rupture is described. The computer code, MNODE, has been developed for 12 connected control volumes and 24 inertia flow paths. Predictions by the code are compared with the results of an analytical gas dynamic problem, semiscale blowdown experiments, full scale MARVIKEN test results, Battelle-Frankfurt model PWR containment test data. The MNODE solutions to NRC/AEC subcompartment benchmark problems are also compared with results predicted by other computer codes such as RELAP-3, FLASH-2, CONTEMPT-PS. The analytical consideration is consistent with Section 6.2.1.2 of the Standard Format (Rev. 2) issued by U.S. Nuclear Regulatory Commission in September 1975

Developing a computationally efficient dynamic multilevel hybrid optimization scheme using multifidelity model interactions.

Energy Technology Data Exchange (ETDEWEB)

Hough, Patricia Diane (Sandia National Laboratories, Livermore, CA); Gray, Genetha Anne (Sandia National Laboratories, Livermore, CA); Castro, Joseph Pete Jr. (; .); Giunta, Anthony Andrew

2006-01-01

Many engineering application problems use optimization algorithms in conjunction with numerical simulators to search for solutions. The formulation of relevant objective functions and constraints dictate possible optimization algorithms. Often, a gradient based approach is not possible since objective functions and constraints can be nonlinear, nonconvex, non-differentiable, or even discontinuous and the simulations involved can be computationally expensive. Moreover, computational efficiency and accuracy are desirable and also influence the choice of solution method. With the advent and increasing availability of massively parallel computers, computational speed has increased tremendously. Unfortunately, the numerical and model complexities of many problems still demand significant computational resources. Moreover, in optimization, these expenses can be a limiting factor since obtaining solutions often requires the completion of numerous computationally intensive simulations. Therefore, we propose a multifidelity optimization algorithm (MFO) designed to improve the computational efficiency of an optimization method for a wide range of applications. In developing the MFO algorithm, we take advantage of the interactions between multi fidelity models to develop a dynamic and computational time saving optimization algorithm. First, a direct search method is applied to the high fidelity model over a reduced design space. In conjunction with this search, a specialized oracle is employed to map the design space of this high fidelity model to that of a computationally cheaper low fidelity model using space mapping techniques. Then, in the low fidelity space, an optimum is obtained using gradient or non-gradient based optimization, and it is mapped back to the high fidelity space. In this paper, we describe the theory and implementation details of our MFO algorithm. We also demonstrate our MFO method on some example problems and on two applications: earth penetrators and

Computational modelling of thermo-mechanical and transport properties of carbon nanotubes

International Nuclear Information System (INIS)

Rafii-Tabar, H.

2004-01-01

Over the recent years, numerical modelling and computer-based simulation of the properties of carbon nanotubes have become the focal points of research in computational nano-science and its associated fields of computational condensed matter physics and materials modelling. Modelling of the mechanical, thermal and transport properties of nanotubes via numerical simulations forms the central part of this research, concerned with the nano-scale mechanics and nano-scale thermodynamics of nanotubes, and nano-scale adsorption, storage and flow properties in nanotubes. A review of these properties, obtained via computational modelling studies, is presented here. We first introduce the physics of carbon nanotubes, and then present the computational simulation tools that are appropriate for conducting a modelling study at the nano-scales. These include the molecular dynamics (MD), the Monte Carlo (MC), and the ab initio MD simulation methods. A complete range of inter-atomic potentials, of two-body and many-body varieties, that underlie all the modelling studies considered in this review is also given. Mechanical models from continuum-based elasticity theory that have been extensively employed in computing the energetics of nanotubes, or interpret the results from atomistic modelling, are presented and discussed. These include models based on the continuum theory of curved plates, shells, vibrating rods and bending beams. The validity of these continuum-based models has also been examined and the conditions under which they are applicable to nanotube modelling have been listed. Pertinent concepts from continuum theories of stress analysis are included, and the relevant methods for conducting the computation of the stress tensor, elastic constants and elastic modulii at the atomic level are also given. We then survey a comprehensive range of modelling studies concerned with the adsorption and storage of gases, and flow of fluids, in carbon nanotubes of various types. This

Computational modelling of thermo-mechanical and transport properties of carbon nanotubes

Energy Technology Data Exchange (ETDEWEB)

Rafii-Tabar, H

2004-02-01

Over the recent years, numerical modelling and computer-based simulation of the properties of carbon nanotubes have become the focal points of research in computational nano-science and its associated fields of computational condensed matter physics and materials modelling. Modelling of the mechanical, thermal and transport properties of nanotubes via numerical simulations forms the central part of this research, concerned with the nano-scale mechanics and nano-scale thermodynamics of nanotubes, and nano-scale adsorption, storage and flow properties in nanotubes. A review of these properties, obtained via computational modelling studies, is presented here. We first introduce the physics of carbon nanotubes, and then present the computational simulation tools that are appropriate for conducting a modelling study at the nano-scales. These include the molecular dynamics (MD), the Monte Carlo (MC), and the ab initio MD simulation methods. A complete range of inter-atomic potentials, of two-body and many-body varieties, that underlie all the modelling studies considered in this review is also given. Mechanical models from continuum-based elasticity theory that have been extensively employed in computing the energetics of nanotubes, or interpret the results from atomistic modelling, are presented and discussed. These include models based on the continuum theory of curved plates, shells, vibrating rods and bending beams. The validity of these continuum-based models has also been examined and the conditions under which they are applicable to nanotube modelling have been listed. Pertinent concepts from continuum theories of stress analysis are included, and the relevant methods for conducting the computation of the stress tensor, elastic constants and elastic modulii at the atomic level are also given. We then survey a comprehensive range of modelling studies concerned with the adsorption and storage of gases, and flow of fluids, in carbon nanotubes of various types. This

Computational efficiency for the surface renewal method

Science.gov (United States)

Kelley, Jason; Higgins, Chad

2018-04-01

Measuring surface fluxes using the surface renewal (SR) method requires programmatic algorithms for tabulation, algebraic calculation, and data quality control. A number of different methods have been published describing automated calibration of SR parameters. Because the SR method utilizes high-frequency (10 Hz+) measurements, some steps in the flux calculation are computationally expensive, especially when automating SR to perform many iterations of these calculations. Several new algorithms were written that perform the required calculations more efficiently and rapidly, and that tested for sensitivity to length of flux averaging period, ability to measure over a large range of lag timescales, and overall computational efficiency. These algorithms utilize signal processing techniques and algebraic simplifications that demonstrate simple modifications that dramatically improve computational efficiency. The results here complement efforts by other authors to standardize a robust and accurate computational SR method. Increased speed of computation time grants flexibility to implementing the SR method, opening new avenues for SR to be used in research, for applied monitoring, and in novel field deployments.

A Performance Prediction Method for Pumps as Turbines (PAT Using a Computational Fluid Dynamics (CFD Modeling Approach

Directory of Open Access Journals (Sweden)

Emma Frosina

2017-01-01

Full Text Available Small and micro hydropower systems represent an attractive solution for generating electricity at low cost and with low environmental impact. The pump-as-turbine (PAT approach has promise in this application due to its low purchase and maintenance costs. In this paper, a new method to predict the inverse characteristic of industrial centrifugal pumps is presented. This method is based on results of simulations performed with commercial three-dimensional Computational Fluid Dynamics (CFD software. Model results have been first validated in pumping mode using data supplied by pump manufacturers. Then, the results have been compared to experimental data for a pump running in reverse. Experimentation has been performed on a dedicated test bench installed in the Department of Civil Construction and Environmental Engineering of the University of Naples Federico II. Three different pumps, with different specific speeds, have been analyzed. Using the model results, the inverse characteristic and the best efficiency point have been evaluated. Finally, results have been compared to prediction methods available in the literature.

The effectiveness of a training method using self-modeling webcam photos for reducing musculoskeletal risk among office workers using computers.

Science.gov (United States)

Taieb-Maimon, Meirav; Cwikel, Julie; Shapira, Bracha; Orenstein, Ido

2012-03-01

An intervention study was conducted to examine the effectiveness of an innovative self-modeling photo-training method for reducing musculoskeletal risk among office workers using computers. Sixty workers were randomly assigned to either: 1) a control group; 2) an office training group that received personal, ergonomic training and workstation adjustments or 3) a photo-training group that received both office training and an automatic frequent-feedback system that displayed on the computer screen a photo of the worker's current sitting posture together with the correct posture photo taken earlier during office training. Musculoskeletal risk was evaluated using the Rapid Upper Limb Assessment (RULA) method before, during and after the six weeks intervention. Both training methods provided effective short-term posture improvement; however, sustained improvement was only attained with the photo-training method. Both interventions had a greater effect on older workers and on workers suffering more musculoskeletal pain. The photo-training method had a greater positive effect on women than on men. Copyright © 2011 Elsevier Ltd and The Ergonomics Society. All rights reserved.

Model based methods and tools for process systems engineering

DEFF Research Database (Denmark)

Gani, Rafiqul

need to be integrated with work-flows and data-flows for specific product-process synthesis-design problems within a computer-aided framework. The framework therefore should be able to manage knowledge-data, models and the associated methods and tools needed by specific synthesis-design work...... of model based methods and tools within a computer aided framework for product-process synthesis-design will be highlighted.......Process systems engineering (PSE) provides means to solve a wide range of problems in a systematic and efficient manner. This presentation will give a perspective on model based methods and tools needed to solve a wide range of problems in product-process synthesis-design. These methods and tools...

Computational techniques of the simplex method

CERN Document Server

Maros, István

2003-01-01

Computational Techniques of the Simplex Method is a systematic treatment focused on the computational issues of the simplex method. It provides a comprehensive coverage of the most important and successful algorithmic and implementation techniques of the simplex method. It is a unique source of essential, never discussed details of algorithmic elements and their implementation. On the basis of the book the reader will be able to create a highly advanced implementation of the simplex method which, in turn, can be used directly or as a building block in other solution algorithms.

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

DEFF Research Database (Denmark)

Heitzig, Martina; Sin, Gürkan; Glarborg, Peter

2011-01-01

Model-based computer aided product-process engineering has attained increased importance in a number of industries, including pharmaceuticals, petrochemicals, fine chemicals, polymers, biotechnology, food, energy and water. This trend is set to continue due to the substantial benefits computer-aided...... methods provide. The key prerequisite of computer-aided product-process engineering is however the availability of models of different types, forms and application modes. The development of the models required for the systems under investigation tends to be a challenging and time-consuming task involving...... numerous steps, expert skills and different modelling tools. This motivates the development of a computer-aided modelling framework that supports the user during model development, documentation, analysis, identification, application and re-use with the goal to increase the efficiency of the modelling...

Computational methods for reversed-field equilibrium

International Nuclear Information System (INIS)

Boyd, J.K.; Auerbach, S.P.; Willmann, P.A.; Berk, H.L.; McNamara, B.

1980-01-01

Investigating the temporal evolution of reversed-field equilibrium caused by transport processes requires the solution of the Grad-Shafranov equation and computation of field-line-averaged quantities. The technique for field-line averaging and the computation of the Grad-Shafranov equation are presented. Application of Green's function to specify the Grad-Shafranov equation boundary condition is discussed. Hill's vortex formulas used to verify certain computations are detailed. Use of computer software to implement computational methods is described

Advanced scientific computational methods and their applications to nuclear technologies. (4) Overview of scientific computational methods, introduction of continuum simulation methods and their applications (4)

International Nuclear Information System (INIS)

Sekimura, Naoto; Okita, Taira

2006-01-01

Scientific computational methods have advanced remarkably with the progress of nuclear development. They have played the role of weft connecting each realm of nuclear engineering and then an introductory course of advanced scientific computational methods and their applications to nuclear technologies were prepared in serial form. This is the fourth issue showing the overview of scientific computational methods with the introduction of continuum simulation methods and their applications. Simulation methods on physical radiation effects on materials are reviewed based on the process such as binary collision approximation, molecular dynamics, kinematic Monte Carlo method, reaction rate method and dislocation dynamics. (T. Tanaka)

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)

runjags: An R Package Providing Interface Utilities, Model Templates, Parallel Computing Methods and Additional Distributions for MCMC Models in JAGS

Directory of Open Access Journals (Sweden)

Matthew J. Denwood

2016-07-01

Full Text Available The runjags package provides a set of interface functions to facilitate running Markov chain Monte Carlo models in JAGS from within R. Automated calculation of appropriate convergence and sample length diagnostics, user-friendly access to commonly used graphical outputs and summary statistics, and parallelized methods of running JAGS are provided. Template model specifications can be generated using a standard lme4-style formula interface to assist users less familiar with the BUGS syntax. Automated simulation study functions are implemented to facilitate model performance assessment, as well as drop-k type cross-validation studies, using high performance computing clusters such as those provided by parallel. A module extension for JAGS is also included within runjags, providing the Pareto family of distributions and a series of minimally-informative priors including the DuMouchel and half-Cauchy priors. This paper outlines the primary functions of this package, and gives an illustration of a simulation study to assess the sensitivity of two equivalent model formulations to different prior distributions.

Life system modeling and intelligent computing. Pt. II. Proceedings

Energy Technology Data Exchange (ETDEWEB)

Li, Kang; Irwin, George W. (eds.) [Belfast Queen' s Univ. (United Kingdom). School of Electronics, Electrical Engineering and Computer Science; Fei, Minrui; Jia, Li [Shanghai Univ. (China). School of Mechatronical Engineering and Automation

2010-07-01

This book is part II of a two-volume work that contains the refereed proceedings of the International Conference on Life System Modeling and Simulation, LSMS 2010 and the International Conference on Intelligent Computing for Sustainable Energy and Environment, ICSEE 2010, held in Wuxi, China, in September 2010. The 194 revised full papers presented were carefully reviewed and selected from over 880 submissions and recommended for publication by Springer in two volumes of Lecture Notes in Computer Science (LNCS) and one volume of Lecture Notes in Bioinformatics (LNBI). This particular volume of Lecture Notes in Computer Science (LNCS) includes 55 papers covering 7 relevant topics. The 56 papers in this volume are organized in topical sections on advanced evolutionary computing theory and algorithms; advanced neural network and fuzzy system theory and algorithms; modeling and simulation of societies and collective behavior; biomedical signal processing, imaging, and visualization; intelligent computing and control in distributed power generation systems; intelligent methods in power and energy infrastructure development; intelligent modeling, monitoring, and control of complex nonlinear systems. (orig.)

A new numerical modelling method for deformation behaviour of metallic porous materials using X-ray computed microtomography

Energy Technology Data Exchange (ETDEWEB)

Doroszko, M., E-mail: m.doroszko@pb.edu.pl; Seweryn, A., E-mail: a.seweryn@pb.edu.pl

2017-03-24

Microtomographic devices have limited imaging accuracy and are often insufficient for proper mapping of small details of real objects (e.g. elements of material mesostructures). This paper describes a new method developed to compensate the effect of X-ray computed microtomography (micro-CT) inaccuracy in numerical modelling of the deformation process of porous sintered 316 L steel. The method involves modification of microtomographic images where the pore shapes are separated. The modification consists of the reconstruction of fissures and small pores omitted by micro-CT scanning due to the limited accuracy of the measuring device. It enables proper modelling of the tensile deformation process of porous materials. In addition, the proposed approach is compared to methods described in the available literature. As a result of numerical calculations, stress and strain distributions were obtained in deformed sintered 316 L steel. Based on the results, macroscopic stress-strain curves were received. Maximum principal stress distributions obtained by the proposed calculation model, indicated specific locations, where the stress reached a critical value, and fracture initiation occurred. These are bridges with small cross sections and notches in the shape of pores. Based on calculation results, the influence of the deformation mechanism of the material porous mesostructures on their properties at the macroscale is described.

A new numerical modelling method for deformation behaviour of metallic porous materials using X-ray computed microtomography

International Nuclear Information System (INIS)

Doroszko, M.; Seweryn, A.

2017-01-01

Microtomographic devices have limited imaging accuracy and are often insufficient for proper mapping of small details of real objects (e.g. elements of material mesostructures). This paper describes a new method developed to compensate the effect of X-ray computed microtomography (micro-CT) inaccuracy in numerical modelling of the deformation process of porous sintered 316 L steel. The method involves modification of microtomographic images where the pore shapes are separated. The modification consists of the reconstruction of fissures and small pores omitted by micro-CT scanning due to the limited accuracy of the measuring device. It enables proper modelling of the tensile deformation process of porous materials. In addition, the proposed approach is compared to methods described in the available literature. As a result of numerical calculations, stress and strain distributions were obtained in deformed sintered 316 L steel. Based on the results, macroscopic stress-strain curves were received. Maximum principal stress distributions obtained by the proposed calculation model, indicated specific locations, where the stress reached a critical value, and fracture initiation occurred. These are bridges with small cross sections and notches in the shape of pores. Based on calculation results, the influence of the deformation mechanism of the material porous mesostructures on their properties at the macroscale is described.

A strategy for improved computational efficiency of the method of anchored distributions

Science.gov (United States)

Over, Matthew William; Yang, Yarong; Chen, Xingyuan; Rubin, Yoram

2013-06-01

This paper proposes a strategy for improving the computational efficiency of model inversion using the method of anchored distributions (MAD) by "bundling" similar model parametrizations in the likelihood function. Inferring the likelihood function typically requires a large number of forward model (FM) simulations for each possible model parametrization; as a result, the process is quite expensive. To ease this prohibitive cost, we present an approximation for the likelihood function called bundling that relaxes the requirement for high quantities of FM simulations. This approximation redefines the conditional statement of the likelihood function as the probability of a set of similar model parametrizations "bundle" replicating field measurements, which we show is neither a model reduction nor a sampling approach to improving the computational efficiency of model inversion. To evaluate the effectiveness of these modifications, we compare the quality of predictions and computational cost of bundling relative to a baseline MAD inversion of 3-D flow and transport model parameters. Additionally, to aid understanding of the implementation we provide a tutorial for bundling in the form of a sample data set and script for the R statistical computing language. For our synthetic experiment, bundling achieved a 35% reduction in overall computational cost and had a limited negative impact on predicted probability distributions of the model parameters. Strategies for minimizing error in the bundling approximation, for enforcing similarity among the sets of model parametrizations, and for identifying convergence of the likelihood function are also presented.

Shadow Replication: An Energy-Aware, Fault-Tolerant Computational Model for Green Cloud Computing

Directory of Open Access Journals (Sweden)

Xiaolong Cui

2014-08-01

Full Text Available As the demand for cloud computing continues to increase, cloud service providers face the daunting challenge to meet the negotiated SLA agreement, in terms of reliability and timely performance, while achieving cost-effectiveness. This challenge is increasingly compounded by the increasing likelihood of failure in large-scale clouds and the rising impact of energy consumption and CO2 emission on the environment. This paper proposes Shadow Replication, a novel fault-tolerance model for cloud computing, which seamlessly addresses failure at scale, while minimizing energy consumption and reducing its impact on the environment. The basic tenet of the model is to associate a suite of shadow processes to execute concurrently with the main process, but initially at a much reduced execution speed, to overcome failures as they occur. Two computationally-feasible schemes are proposed to achieve Shadow Replication. A performance evaluation framework is developed to analyze these schemes and compare their performance to traditional replication-based fault tolerance methods, focusing on the inherent tradeoff between fault tolerance, the specified SLA and profit maximization. The results show that Shadow Replication leads to significant energy reduction, and is better suited for compute-intensive execution models, where up to 30% more profit increase can be achieved due to reduced energy consumption.

Mathematical modeling and computational prediction of cancer drug resistance.

Science.gov (United States)

Sun, Xiaoqiang; Hu, Bin

2017-06-23

Diverse forms of resistance to anticancer drugs can lead to the failure of chemotherapy. Drug resistance is one of the most intractable issues for successfully treating cancer in current clinical practice. Effective clinical approaches that could counter drug resistance by restoring the sensitivity of tumors to the targeted agents are urgently needed. As numerous experimental results on resistance mechanisms have been obtained and a mass of high-throughput data has been accumulated, mathematical modeling and computational predictions using systematic and quantitative approaches have become increasingly important, as they can potentially provide deeper insights into resistance mechanisms, generate novel hypotheses or suggest promising treatment strategies for future testing. In this review, we first briefly summarize the current progress of experimentally revealed resistance mechanisms of targeted therapy, including genetic mechanisms, epigenetic mechanisms, posttranslational mechanisms, cellular mechanisms, microenvironmental mechanisms and pharmacokinetic mechanisms. Subsequently, we list several currently available databases and Web-based tools related to drug sensitivity and resistance. Then, we focus primarily on introducing some state-of-the-art computational methods used in drug resistance studies, including mechanism-based mathematical modeling approaches (e.g. molecular dynamics simulation, kinetic model of molecular networks, ordinary differential equation model of cellular dynamics, stochastic model, partial differential equation model, agent-based model, pharmacokinetic-pharmacodynamic model, etc.) and data-driven prediction methods (e.g. omics data-based conventional screening approach for node biomarkers, static network approach for edge biomarkers and module biomarkers, dynamic network approach for dynamic network biomarkers and dynamic module network biomarkers, etc.). Finally, we discuss several further questions and future directions for the use of

Computational methods in power system analysis

CERN Document Server

Idema, Reijer

2014-01-01

This book treats state-of-the-art computational methods for power flow studies and contingency analysis. In the first part the authors present the relevant computational methods and mathematical concepts. In the second part, power flow and contingency analysis are treated. Furthermore, traditional methods to solve such problems are compared to modern solvers, developed using the knowledge of the first part of the book. Finally, these solvers are analyzed both theoretically and experimentally, clearly showing the benefits of the modern approach.

Empirical evaluation methods in computer vision

CERN Document Server

Christensen, Henrik I

2002-01-01

This book provides comprehensive coverage of methods for the empirical evaluation of computer vision techniques. The practical use of computer vision requires empirical evaluation to ensure that the overall system has a guaranteed performance. The book contains articles that cover the design of experiments for evaluation, range image segmentation, the evaluation of face recognition and diffusion methods, image matching using correlation methods, and the performance of medical image processing algorithms. Sample Chapter(s). Foreword (228 KB). Chapter 1: Introduction (505 KB). Contents: Automate

Systems, methods and computer-readable media to model kinetic performance of rechargeable electrochemical devices

Science.gov (United States)

Gering, Kevin L.

2013-01-01

A system includes an electrochemical cell, monitoring hardware, and a computing system. The monitoring hardware samples performance characteristics of the electrochemical cell. The computing system determines cell information from the performance characteristics. The computing system also analyzes the cell information of the electrochemical cell with a Butler-Volmer (BV) expression modified to determine exchange current density of the electrochemical cell by including kinetic performance information related to pulse-time dependence, electrode surface availability, or a combination thereof. A set of sigmoid-based expressions may be included with the modified-BV expression to determine kinetic performance as a function of pulse time. The determined exchange current density may be used with the modified-BV expression, with or without the sigmoid expressions, to analyze other characteristics of the electrochemical cell. Model parameters can be defined in terms of cell aging, making the overall kinetics model amenable to predictive estimates of cell kinetic performance along the aging timeline.

Global sensitivity analysis of computer models with functional inputs

International Nuclear Information System (INIS)

Iooss, Bertrand; Ribatet, Mathieu

2009-01-01

Global sensitivity analysis is used to quantify the influence of uncertain model inputs on the response variability of a numerical model. The common quantitative methods are appropriate with computer codes having scalar model inputs. This paper aims at illustrating different variance-based sensitivity analysis techniques, based on the so-called Sobol's indices, when some model inputs are functional, such as stochastic processes or random spatial fields. In this work, we focus on large cpu time computer codes which need a preliminary metamodeling step before performing the sensitivity analysis. We propose the use of the joint modeling approach, i.e., modeling simultaneously the mean and the dispersion of the code outputs using two interlinked generalized linear models (GLMs) or generalized additive models (GAMs). The 'mean model' allows to estimate the sensitivity indices of each scalar model inputs, while the 'dispersion model' allows to derive the total sensitivity index of the functional model inputs. The proposed approach is compared to some classical sensitivity analysis methodologies on an analytical function. Lastly, the new methodology is applied to an industrial computer code that simulates the nuclear fuel irradiation.

Phenomenological optical potentials and optical model computer codes

International Nuclear Information System (INIS)

Prince, A.

1980-01-01

An introduction to the Optical Model is presented. Starting with the purpose and nature of the physical problems to be analyzed, a general formulation and the various phenomenological methods of solution are discussed. This includes the calculation of observables based on assumed potentials such as local and non-local and their forms, e.g. Woods-Saxon, folded model etc. Also discussed are the various calculational methods and model codes employed to describe nuclear reactions in the spherical and deformed regions (e.g. coupled-channel analysis). An examination of the numerical solutions and minimization techniques associated with the various codes, is briefly touched upon. Several computer programs are described for carrying out the calculations. The preparation of input, (formats and options), determination of model parameters and analysis of output are described. The class is given a series of problems to carry out using the available computer. Interpretation and evaluation of the samples includes the effect of varying parameters, and comparison of calculations with the experimental data. Also included is an intercomparison of the results from the various model codes, along with their advantages and limitations. (author)

Human Inspired Self-developmental Model of Neural Network (HIM): Introducing Content/Form Computing

Science.gov (United States)

Krajíček, Jiří

This paper presents cross-disciplinary research between medical/psychological evidence on human abilities and informatics needs to update current models in computer science to support alternative methods for computation and communication. In [10] we have already proposed hypothesis introducing concept of human information model (HIM) as cooperative system. Here we continue on HIM design in detail. In our design, first we introduce Content/Form computing system which is new principle of present methods in evolutionary computing (genetic algorithms, genetic programming). Then we apply this system on HIM (type of artificial neural network) model as basic network self-developmental paradigm. Main inspiration of our natural/human design comes from well known concept of artificial neural networks, medical/psychological evidence and Sheldrake theory of "Nature as Alive" [22].

Water System Adaptation To Hydrological Changes: Module 11, Methods and Tools: Computational Models

Science.gov (United States)

This course will introduce students to the fundamental principles of water system adaptation to hydrological changes, with emphasis on data analysis and interpretation, technical planning, and computational modeling. Starting with real-world scenarios and adaptation needs, the co...

A Model of Computation for Bit-Level Concurrent Computing and Programming: APEC

Science.gov (United States)

Ajiro, Takashi; Tsuchida, Kensei

A concurrent model of computation and a language based on the model for bit-level operation are useful for developing asynchronous and concurrent programs compositionally, which frequently use bit-level operations. Some examples are programs for video games, hardware emulation (including virtual machines), and signal processing. However, few models and languages are optimized and oriented to bit-level concurrent computation. We previously developed a visual programming language called A-BITS for bit-level concurrent programming. The language is based on a dataflow-like model that computes using processes that provide serial bit-level operations and FIFO buffers connected to them. It can express bit-level computation naturally and develop compositionally. We then devised a concurrent computation model called APEC (Asynchronous Program Elements Connection) for bit-level concurrent computation. This model enables precise and formal expression of the process of computation, and a notion of primitive program elements for controlling and operating can be expressed synthetically. Specifically, the model is based on a notion of uniform primitive processes, called primitives, that have three terminals and four ordered rules at most, as well as on bidirectional communication using vehicles called carriers. A new notion is that a carrier moving between two terminals can briefly express some kinds of computation such as synchronization and bidirectional communication. The model's properties make it most applicable to bit-level computation compositionally, since the uniform computation elements are enough to develop components that have practical functionality. Through future application of the model, our research may enable further research on a base model of fine-grain parallel computer architecture, since the model is suitable for expressing massive concurrency by a network of primitives.

Computer modeling of oil spill trajectories with a high accuracy method

International Nuclear Information System (INIS)

Garcia-Martinez, Reinaldo; Flores-Tovar, Henry

1999-01-01

This paper proposes a high accuracy numerical method to model oil spill trajectories using a particle-tracking algorithm. The Euler method, used to calculate oil trajectories, can give adequate solutions in most open ocean applications. However, this method may not predict accurate particle trajectories in certain highly non-uniform velocity fields near coastal zones or in river problems. Simple numerical experiments show that the Euler method may also introduce artificial numerical dispersion that could lead to overestimation of spill areas. This article proposes a fourth-order Runge-Kutta method with fourth-order velocity interpolation to calculate oil trajectories that minimise these problems. The algorithm is implemented in the OilTrack model to predict oil trajectories following the 'Nissos Amorgos' oil spill accident that occurred in the Gulf of Venezuela in 1997. Despite lack of adequate field information, model results compare well with observations in the impacted area. (Author)

Multi-resolution voxel phantom modeling: a high-resolution eye model for computational dosimetry.

Science.gov (United States)

Caracappa, Peter F; Rhodes, Ashley; Fiedler, Derek

2014-09-21

Voxel models of the human body are commonly used for simulating radiation dose with a Monte Carlo radiation transport code. Due to memory limitations, the voxel resolution of these computational phantoms is typically too large to accurately represent the dimensions of small features such as the eye. Recently reduced recommended dose limits to the lens of the eye, which is a radiosensitive tissue with a significant concern for cataract formation, has lent increased importance to understanding the dose to this tissue. A high-resolution eye model is constructed using physiological data for the dimensions of radiosensitive tissues, and combined with an existing set of whole-body models to form a multi-resolution 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. The accuracy and performance of each method is compared against existing computational phantoms.

Methods and computer programs for PWR's fuel management: Programs Sothis and Ciclon

International Nuclear Information System (INIS)

Aragones, J.M.; Corella, M.R.; Martinez-Val, J.M.

1976-01-01

Methos and computer programs developed at JEN for fuel management in PWR are discussed, including scope of model, procedures for sistematic selection of alternatives to be evaluated, basis of model for neutronic calculation, methods for fuel costs calculation, procedures for equilibrium and trans[tion cycles calculation with Soth[s and Ciclon codes and validation of methods by comparison of results with others of reference (author) ' [es

Computer modeling of flow induced in-reactor vibrations

International Nuclear Information System (INIS)

Turula, P.; Mulcahy, T.M.

1977-01-01

An assessment of the reliability of finite element method computer models, as applied to the computation of flow induced vibration response of components used in nuclear reactors, is presented. The prototype under consideration was the Fast Flux Test Facility reactor being constructed for US-ERDA. Data were available from an extensive test program which used a scale model simulating the hydraulic and structural characteristics of the prototype components, subjected to scaled prototypic flow conditions as well as to laboratory shaker excitations. Corresponding analytical solutions of the component vibration problems were obtained using the NASTRAN computer code. Modal analyses and response analyses were performed. The effect of the surrounding fluid was accounted for. Several possible forcing function definitions were considered. Results indicate that modal computations agree well with experimental data. Response amplitude comparisons are good only under conditions favorable to a clear definition of the structural and hydraulic properties affecting the component motion. 20 refs

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

Simulation model of load balancing in distributed computing systems

Science.gov (United States)

Botygin, I. A.; Popov, V. N.; Frolov, S. G.

2017-02-01

The availability of high-performance computing, high speed data transfer over the network and widespread of software for the design and pre-production in mechanical engineering have led to the fact that at the present time the large industrial enterprises and small engineering companies implement complex computer systems for efficient solutions of production and management tasks. Such computer systems are generally built on the basis of distributed heterogeneous computer systems. The analytical problems solved by such systems are the key models of research, but the system-wide problems of efficient distribution (balancing) of the computational load and accommodation input, intermediate and output databases are no less important. The main tasks of this balancing system are load and condition monitoring of compute nodes, and the selection of a node for transition of the user’s request in accordance with a predetermined algorithm. The load balancing is one of the most used methods of increasing productivity of distributed computing systems through the optimal allocation of tasks between the computer system nodes. Therefore, the development of methods and algorithms for computing optimal scheduling in a distributed system, dynamically changing its infrastructure, is an important task.

A sediment graph model based on SCS-CN method

Science.gov (United States)

Singh, P. K.; Bhunya, P. K.; Mishra, S. K.; Chaube, U. C.

2008-01-01

SummaryThis paper proposes new conceptual sediment graph models based on coupling of popular and extensively used methods, viz., Nash model based instantaneous unit sediment graph (IUSG), soil conservation service curve number (SCS-CN) method, and Power law. These models vary in their complexity and this paper tests their performance using data of the Nagwan watershed (area = 92.46 km 2) (India). The sensitivity of total sediment yield and peak sediment flow rate computations to model parameterisation is analysed. The exponent of the Power law, β, is more sensitive than other model parameters. The models are found to have substantial potential for computing sediment graphs (temporal sediment flow rate distribution) as well as total sediment yield.

International Conference on Computational Intelligence, Cyber Security, and Computational Models

CERN Document Server

Ramasamy, Vijayalakshmi; Sheen, Shina; Veeramani, C; Bonato, Anthony; Batten, Lynn

2016-01-01

This book aims at promoting high-quality research by researchers and practitioners from academia and industry at the International Conference on Computational Intelligence, Cyber Security, and Computational Models ICC3 2015 organized by PSG College of Technology, Coimbatore, India during December 17 – 19, 2015. This book enriches with innovations in broad areas of research like computational modeling, computational intelligence and cyber security. These emerging inter disciplinary research areas have helped to solve multifaceted problems and gained lot of attention in recent years. This encompasses theory and applications, to provide design, analysis and modeling of the aforementioned key areas.

Computational Models of Rock Failure

Science.gov (United States)

May, Dave A.; Spiegelman, Marc

2017-04-01

Practitioners in computational geodynamics, as per many other branches of applied science, typically do not analyse the underlying PDE's being solved in order to establish the existence or uniqueness of solutions. Rather, such proofs are left to the mathematicians, and all too frequently these results lag far behind (in time) the applied research being conducted, are often unintelligible to the non-specialist, are buried in journals applied scientists simply do not read, or simply have not been proven. As practitioners, we are by definition pragmatic. Thus, rather than first analysing our PDE's, we first attempt to find approximate solutions by throwing all our computational methods and machinery at the given problem and hoping for the best. Typically this approach leads to a satisfactory outcome. Usually it is only if the numerical solutions "look odd" that we start delving deeper into the math. In this presentation I summarise our findings in relation to using pressure dependent (Drucker-Prager type) flow laws in a simplified model of continental extension in which the material is assumed to be an incompressible, highly viscous fluid. Such assumptions represent the current mainstream adopted in computational studies of mantle and lithosphere deformation within our community. In short, we conclude that for the parameter range of cohesion and friction angle relevant to studying rocks, the incompressibility constraint combined with a Drucker-Prager flow law can result in problems which have no solution. This is proven by a 1D analytic model and convincingly demonstrated by 2D numerical simulations. To date, we do not have a robust "fix" for this fundamental problem. The intent of this submission is to highlight the importance of simple analytic models, highlight some of the dangers / risks of interpreting numerical solutions without understanding the properties of the PDE we solved, and lastly to stimulate discussions to develop an improved computational model of

Computer Modeling and Simulation

Energy Technology Data Exchange (ETDEWEB)

Pronskikh, V. S. [Fermilab

2014-05-09

Verification and validation of computer codes and models used in simulation are two aspects of the scientific practice of high importance and have recently been discussed by philosophers of science. While verification is predominantly associated with the correctness of the way a model is represented by a computer code or algorithm, validation more often refers to model’s relation to the real world and its intended use. It has been argued that because complex simulations are generally not transparent to a practitioner, the Duhem problem can arise for verification and validation due to their entanglement; such an entanglement makes it impossible to distinguish whether a coding error or model’s general inadequacy to its target should be blamed in the case of the model failure. I argue that in order to disentangle verification and validation, a clear distinction between computer modeling (construction of mathematical computer models of elementary processes) and simulation (construction of models of composite objects and processes by means of numerical experimenting with them) needs to be made. Holding on to that distinction, I propose to relate verification (based on theoretical strategies such as inferences) to modeling and validation, which shares the common epistemology with experimentation, to simulation. To explain reasons of their intermittent entanglement I propose a weberian ideal-typical model of modeling and simulation as roles in practice. I suggest an approach to alleviate the Duhem problem for verification and validation generally applicable in practice and based on differences in epistemic strategies and scopes

Multi-objective reverse logistics model for integrated computer waste management.

Science.gov (United States)

Ahluwalia, Poonam Khanijo; Nema, Arvind K

2006-12-01

This study aimed to address the issues involved in the planning and design of a computer waste management system in an integrated manner. A decision-support tool is presented for selecting an optimum configuration of computer waste management facilities (segregation, storage, treatment/processing, reuse/recycle and disposal) and allocation of waste to these facilities. The model is based on an integer linear programming method with the objectives of minimizing environmental risk as well as cost. The issue of uncertainty in the estimated waste quantities from multiple sources is addressed using the Monte Carlo simulation technique. An illustrated example of computer waste management in Delhi, India is presented to demonstrate the usefulness of the proposed model and to study tradeoffs between cost and risk. The results of the example problem show that it is possible to reduce the environmental risk significantly by a marginal increase in the available cost. The proposed model can serve as a powerful tool to address the environmental problems associated with exponentially growing quantities of computer waste which are presently being managed using rudimentary methods of reuse, recovery and disposal by various small-scale vendors.

Computational model for turbulent flow around a grid spacer with mixing vane

International Nuclear Information System (INIS)

Tsutomu Ikeno; Takeo Kajishima

2005-01-01

Turbulent mixing coefficient and pressure drop are important factors in subchannel analysis to predict onset of DNB. However, universal correlations are difficult since these factors are significantly affected by the geometry of subchannel and a grid spacer with mixing vane. Therefore, we propose a computational model to estimate these factors. Computational model: To represent the effect of geometry of grid spacer in computational model, we applied a large eddy simulation (LES) technique in couple with an improved immersed-boundary method. In our previous work (Ikeno, et al., NURETH-10), detailed properties of turbulence in subchannel were successfully investigated by developing the immersed boundary method in LES. In this study, additional improvements are given: new one-equation dynamic sub-grid scale (SGS) model is introduced to account for the complex geometry without any artificial modification; the higher order accuracy is maintained by consistent treatment for boundary conditions for velocity and pressure. NUMERICAL TEST AND DISCUSSION: Turbulent mixing coefficient and pressure drop are affected strongly by the arrangement and inclination of mixing vane. Therefore, computations are carried out for each of convolute and periodic arrangements, and for each of 30 degree and 20 degree inclinations. The difference in turbulent mixing coefficient due to these factors is reasonably predicted by our method. (An example of this numerical test is shown in Fig. 1.) Turbulent flow of the problem includes unsteady separation behind the mixing vane and vortex shedding in downstream. Anisotropic distribution of turbulent stress is also appeared in rod gap. Therefore, our computational model has advantage for assessing the influence of arrangement and inclination of mixing vane. By coarser computational mesh, one can screen several candidates for spacer design. Then, by finer mesh, more quantitative analysis is possible. By such a scheme, we believe this method is useful

Modeling and simulation of ocean wave propagation using lattice Boltzmann method

Science.gov (United States)

Nuraiman, Dian

2017-10-01

In this paper, we present on modeling and simulation of ocean wave propagation from the deep sea to the shoreline. This requires high computational cost for simulation with large domain. We propose to couple a 1D shallow water equations (SWE) model with a 2D incompressible Navier-Stokes equations (NSE) model in order to reduce the computational cost. The coupled model is solved using the lattice Boltzmann method (LBM) with the lattice Bhatnagar-Gross-Krook (BGK) scheme. Additionally, a special method is implemented to treat the complex behavior of free surface close to the shoreline. The result shows the coupled model can reduce computational cost significantly compared to the full NSE model.

A Model for the Acceptance of Cloud Computing Technology Using DEMATEL Technique and System Dynamics Approach

Directory of Open Access Journals (Sweden)

seyyed mohammad zargar

2018-03-01

Full Text Available Cloud computing is a new method to provide computing resources and increase computing power in organizations. Despite the many benefits this method shares, it has not been universally used because of some obstacles including security issues and has become a concern for IT managers in organization. In this paper, the general definition of cloud computing is presented. In addition, having reviewed previous studies, the researchers identified effective variables on technology acceptance and, especially, cloud computing technology. Then, using DEMATEL technique, the effectiveness and permeability of the variable were determined. The researchers also designed a model to show the existing dynamics in cloud computing technology using system dynamics approach. The validity of the model was confirmed through evaluation methods in dynamics model by using VENSIM software. Finally, based on different conditions of the proposed model, a variety of scenarios were designed. Then, the implementation of these scenarios was simulated within the proposed model. The results showed that any increase in data security, government support and user training can lead to the increase in the adoption and use of cloud computing technology.

Talbot's method for the numerical inversion of Laplace transforms: an implementation for personal computers

International Nuclear Information System (INIS)

Garratt, T.J.

1989-05-01

Safety assessments of radioactive waste disposal require efficient computer models for the important processes. The present paper is based on an efficient computational technique which can be used to solve a wide variety of safety assessment models. It involves the numerical inversion of analytical solutions to the Laplace-transformed differential equations using a method proposed by Talbot. This method has been implemented on a personal computer in a user-friendly manner. The steps required to implement a particular transform and run the program are outlined. Four examples are described which illustrate the flexibility, accuracy and efficiency of the program. The improvements in computational efficiency described in this paper have application to the probabilistic safety assessment codes ESCORT and MASCOT which are currently under development. Also, it is hoped that the present work will form the basis of software for personal computers which could be used to demonstrate safety assessment procedures to a wide audience. (author)

Computational hemodynamics theory, modelling and applications

CERN Document Server

Tu, Jiyuan; Wong, Kelvin Kian Loong

2015-01-01

This book discusses geometric and mathematical models that can be used to study fluid and structural mechanics in the cardiovascular system.  Where traditional research methodologies in the human cardiovascular system are challenging due to its invasive nature, several recent advances in medical imaging and computational fluid and solid mechanics modelling now provide new and exciting research opportunities. This emerging field of study is multi-disciplinary, involving numerical methods, computational science, fluid and structural mechanics, and biomedical engineering. Certainly any new student or researcher in this field may feel overwhelmed by the wide range of disciplines that need to be understood. This unique book is one of the first to bring together knowledge from multiple disciplines, providing a starting point to each of the individual disciplines involved, attempting to ease the steep learning curve. This book presents elementary knowledge on the physiology of the cardiovascular system; basic knowl...

Lattice Boltzmann model capable of mesoscopic vorticity computation

Science.gov (United States)

Peng, Cheng; Guo, Zhaoli; Wang, Lian-Ping

2017-11-01

It is well known that standard lattice Boltzmann (LB) models allow the strain-rate components to be computed mesoscopically (i.e., through the local particle distributions) and as such possess a second-order accuracy in strain rate. This is one of the appealing features of the lattice Boltzmann method (LBM) which is of only second-order accuracy in hydrodynamic velocity itself. However, no known LB model can provide the same quality for vorticity and pressure gradients. In this paper, we design a multiple-relaxation time LB model on a three-dimensional 27-discrete-velocity (D3Q27) lattice. A detailed Chapman-Enskog analysis is presented to illustrate all the necessary constraints in reproducing the isothermal Navier-Stokes equations. The remaining degrees of freedom are carefully analyzed to derive a model that accommodates mesoscopic computation of all the velocity and pressure gradients from the nonequilibrium moments. This way of vorticity calculation naturally ensures a second-order accuracy, which is also proven through an asymptotic analysis. We thus show, with enough degrees of freedom and appropriate modifications, the mesoscopic vorticity computation can be achieved in LBM. The resulting model is then validated in simulations of a three-dimensional decaying Taylor-Green flow, a lid-driven cavity flow, and a uniform flow passing a fixed sphere. Furthermore, it is shown that the mesoscopic vorticity computation can be realized even with single relaxation parameter.

Automatic procedure for realistic 3D finite element modelling of human brain for bioelectromagnetic computations

International Nuclear Information System (INIS)

Aristovich, K Y; Khan, S H

2010-01-01

Realistic computer modelling of biological objects requires building of very accurate and realistic computer models based on geometric and material data, type, and accuracy of numerical analyses. This paper presents some of the automatic tools and algorithms that were used to build accurate and realistic 3D finite element (FE) model of whole-brain. These models were used to solve the forward problem in magnetic field tomography (MFT) based on Magnetoencephalography (MEG). The forward problem involves modelling and computation of magnetic fields produced by human brain during cognitive processing. The geometric parameters of the model were obtained from accurate Magnetic Resonance Imaging (MRI) data and the material properties - from those obtained from Diffusion Tensor MRI (DTMRI). The 3D FE models of the brain built using this approach has been shown to be very accurate in terms of both geometric and material properties. The model is stored on the computer in Computer-Aided Parametrical Design (CAD) format. This allows the model to be used in a wide a range of methods of analysis, such as finite element method (FEM), Boundary Element Method (BEM), Monte-Carlo Simulations, etc. The generic model building approach presented here could be used for accurate and realistic modelling of human brain and many other biological objects.

PORFLO - a continuum model for fluid flow, heat transfer, and mass transport in porous media. Model theory, numerical methods, and computational tests

International Nuclear Information System (INIS)

Runchal, A.K.; Sagar, B.; Baca, R.G.; Kline, N.W.

1985-09-01

Postclosure performance assessment of the proposed high-level nuclear waste repository in flood basalts at Hanford requires that the processes of fluid flow, heat transfer, and mass transport be numerically modeled at appropriate space and time scales. A suite of computer models has been developed to meet this objective. The theory of one of these models, named PORFLO, is described in this report. Also presented are a discussion of the numerical techniques in the PORFLO computer code and a few computational test cases. Three two-dimensional equations, one each for fluid flow, heat transfer, and mass transport, are numerically solved in PORFLO. The governing equations are derived from the principle of conservation of mass, momentum, and energy in a stationary control volume that is assumed to contain a heterogeneous, anisotropic porous medium. Broad discrete features can be accommodated by specifying zones with distinct properties, or these can be included by defining an equivalent porous medium. The governing equations are parabolic differential equations that are coupled through time-varying parameters. Computational tests of the model are done by comparisons of simulation results with analytic solutions, with results from other independently developed numerical models, and with available laboratory and/or field data. In this report, in addition to the theory of the model, results from three test cases are discussed. A users' manual for the computer code resulting from this model has been prepared and is available as a separate document. 37 refs., 20 figs., 15 tabs

History and future perspectives of the Monte Carlo shell model -from Alphleet to K computer-

International Nuclear Information System (INIS)

Shimizu, Noritaka; Otsuka, Takaharu; Utsuno, Yutaka; Mizusaki, Takahiro; Honma, Michio; Abe, Takashi

2013-01-01

We report a history of the developments of the Monte Carlo shell model (MCSM). The MCSM was proposed in order to perform large-scale shell-model calculations which direct diagonalization method cannot reach. Since 1999 PC clusters were introduced for parallel computation of the MCSM. Since 2011 we participated the High Performance Computing Infrastructure Strategic Program and developed a new MCSM code for current massively parallel computers such as K computer. We discuss future perspectives concerning a new framework and parallel computation of the MCSM by incorporating conjugate gradient method and energy-variance extrapolation

Computational methods in earthquake engineering

CERN Document Server

Plevris, Vagelis; Lagaros, Nikos

2017-01-01

This is the third book in a series on Computational Methods in Earthquake Engineering. The purpose of this volume is to bring together the scientific communities of Computational Mechanics and Structural Dynamics, offering a wide coverage of timely issues on contemporary Earthquake Engineering. This volume will facilitate the exchange of ideas in topics of mutual interest and can serve as a platform for establishing links between research groups with complementary activities. The computational aspects are emphasized in order to address difficult engineering problems of great social and economic importance. .

Learning-based computing techniques in geoid modeling for precise height transformation

Science.gov (United States)

Erol, B.; Erol, S.

2013-03-01

Precise determination of local geoid is of particular importance for establishing height control in geodetic GNSS applications, since the classical leveling technique is too laborious. A geoid model can be accurately obtained employing properly distributed benchmarks having GNSS and leveling observations using an appropriate computing algorithm. Besides the classical multivariable polynomial regression equations (MPRE), this study attempts an evaluation of learning based computing algorithms: artificial neural networks (ANNs), adaptive network-based fuzzy inference system (ANFIS) and especially the wavelet neural networks (WNNs) approach in geoid surface approximation. These algorithms were developed parallel to advances in computer technologies and recently have been used for solving complex nonlinear problems of many applications. However, they are rather new in dealing with precise modeling problem of the Earth gravity field. In the scope of the study, these methods were applied to Istanbul GPS Triangulation Network data. The performances of the methods were assessed considering the validation results of the geoid models at the observation points. In conclusion the ANFIS and WNN revealed higher prediction accuracies compared to ANN and MPRE methods. Beside the prediction capabilities, these methods were also compared and discussed from the practical point of view in conclusions.

Computer-aided methods of determining thyristor thermal transients

International Nuclear Information System (INIS)

Lu, E.; Bronner, G.

1988-08-01

An accurate tracing of the thyristor thermal response is investigated. This paper offers several alternatives for thermal modeling and analysis by using an electrical circuit analog: topological method, convolution integral method, etc. These methods are adaptable to numerical solutions and well suited to the use of the digital computer. The thermal analysis of thyristors was performed for the 1000 MVA converter system at the Princeton Plasma Physics Laboratory. Transient thermal impedance curves for individual thyristors in a given cooling arrangement were known from measurements and from manufacturer's data. The analysis pertains to almost any loading case, and the results are obtained in a numerical or a graphical format. 6 refs., 9 figs

A systematic investigation of computation models for predicting Adverse Drug Reactions (ADRs).

Science.gov (United States)

Kuang, Qifan; Wang, MinQi; Li, Rong; Dong, YongCheng; Li, Yizhou; Li, Menglong

2014-01-01

Early and accurate identification of adverse drug reactions (ADRs) is critically important for drug development and clinical safety. Computer-aided prediction of ADRs has attracted increasing attention in recent years, and many computational models have been proposed. However, because of the lack of systematic analysis and comparison of the different computational models, there remain limitations in designing more effective algorithms and selecting more useful features. There is therefore an urgent need to review and analyze previous computation models to obtain general conclusions that can provide useful guidance to construct more effective computational models to predict ADRs. In the current study, the main work is to compare and analyze the performance of existing computational methods to predict ADRs, by implementing and evaluating additional algorithms that have been earlier used for predicting drug targets. Our results indicated that topological and intrinsic features were complementary to an extent and the Jaccard coefficient had an important and general effect on the prediction of drug-ADR associations. By comparing the structure of each algorithm, final formulas of these algorithms were all converted to linear model in form, based on this finding we propose a new algorithm called the general weighted profile method and it yielded the best overall performance among the algorithms investigated in this paper. Several meaningful conclusions and useful findings regarding the prediction of ADRs are provided for selecting optimal features and algorithms.

ADAM: analysis of discrete models of biological systems using computer algebra.

Science.gov (United States)

Hinkelmann, Franziska; Brandon, Madison; Guang, Bonny; McNeill, Rustin; Blekherman, Grigoriy; Veliz-Cuba, Alan; Laubenbacher, Reinhard

2011-07-20

Many biological systems are modeled qualitatively with discrete models, such as probabilistic Boolean networks, logical models, Petri nets, and agent-based models, to gain a better understanding of them. The computational complexity to analyze the complete dynamics of these models grows exponentially in the number of variables, which impedes working with complex models. There exist software tools to analyze discrete models, but they either lack the algorithmic functionality to analyze complex models deterministically or they are inaccessible to many users as they require understanding the underlying algorithm and implementation, do not have a graphical user interface, or are hard to install. Efficient analysis methods that are accessible to modelers and easy to use are needed. We propose a method for efficiently identifying attractors and introduce the web-based tool Analysis of Dynamic Algebraic Models (ADAM), which provides this and other analysis methods for discrete models. ADAM converts several discrete model types automatically into polynomial dynamical systems and analyzes their dynamics using tools from computer algebra. Specifically, we propose a method to identify attractors of a discrete model that is equivalent to solving a system of polynomial equations, a long-studied problem in computer algebra. Based on extensive experimentation with both discrete models arising in systems biology and randomly generated networks, we found that the algebraic algorithms presented in this manuscript are fast for systems with the structure maintained by most biological systems, namely sparseness and robustness. For a large set of published complex discrete models, ADAM identified the attractors in less than one second. Discrete modeling techniques are a useful tool for analyzing complex biological systems and there is a need in the biological community for accessible efficient analysis tools. ADAM provides analysis methods based on mathematical algorithms as a web

Modeling Computer Virus and Its Dynamics

Directory of Open Access Journals (Sweden)

Mei Peng

2013-01-01

Full Text Available Based on that the computer will be infected by infected computer and exposed computer, and some of the computers which are in suscepitible status and exposed status can get immunity by antivirus ability, a novel coumputer virus model is established. The dynamic behaviors of this model are investigated. First, the basic reproduction number R0, which is a threshold of the computer virus spreading in internet, is determined. Second, this model has a virus-free equilibrium P0, which means that the infected part of the computer disappears, and the virus dies out, and P0 is a globally asymptotically stable equilibrium if R01 then this model has only one viral equilibrium P*, which means that the computer persists at a constant endemic level, and P* is also globally asymptotically stable. Finally, some numerical examples are given to demonstrate the analytical results.

Correlation Educational Model in Primary Education Curriculum of Mathematics and Computer Science

Science.gov (United States)

Macinko Kovac, Maja; Eret, Lidija

2012-01-01

This article gives insight into methodical correlation model of teaching mathematics and computer science. The model shows the way in which the related areas of computer science and mathematics can be supplemented, if it transforms the way of teaching and creates a "joint" lessons. Various didactic materials are designed, in which all…

Novel methods in computational finance

CERN Document Server

Günther, Michael; Maten, E

2017-01-01

This book discusses the state-of-the-art and open problems in computational finance. It presents a collection of research outcomes and reviews of the work from the STRIKE project, an FP7 Marie Curie Initial Training Network (ITN) project in which academic partners trained early-stage researchers in close cooperation with a broader range of associated partners, including from the private sector. The aim of the project was to arrive at a deeper understanding of complex (mostly nonlinear) financial models and to develop effective and robust numerical schemes for solving linear and nonlinear problems arising from the mathematical theory of pricing financial derivatives and related financial products. This was accomplished by means of financial modelling, mathematical analysis and numerical simulations, optimal control techniques and validation of models. In recent years the computational complexity of mathematical models employed in financial mathematics has witnessed tremendous growth. Advanced numerical techni...

Computing discharge using the index velocity method

Science.gov (United States)

Levesque, Victor A.; Oberg, Kevin A.

2012-01-01

Application of the index velocity method for computing continuous records of discharge has become increasingly common, especially since the introduction of low-cost acoustic Doppler velocity meters (ADVMs) in 1997. Presently (2011), the index velocity method is being used to compute discharge records for approximately 470 gaging stations operated and maintained by the U.S. Geological Survey. The purpose of this report is to document and describe techniques for computing discharge records using the index velocity method. Computing discharge using the index velocity method differs from the traditional stage-discharge method by separating velocity and area into two ratings—the index velocity rating and the stage-area rating. The outputs from each of these ratings, mean channel velocity (V) and cross-sectional area (A), are then multiplied together to compute a discharge. For the index velocity method, V is a function of such parameters as streamwise velocity, stage, cross-stream velocity, and velocity head, and A is a function of stage and cross-section shape. The index velocity method can be used at locations where stage-discharge methods are used, but it is especially appropriate when more than one specific discharge can be measured for a specific stage. After the ADVM is selected, installed, and configured, the stage-area rating and the index velocity rating must be developed. A standard cross section is identified and surveyed in order to develop the stage-area rating. The standard cross section should be surveyed every year for the first 3 years of operation and thereafter at a lesser frequency, depending on the susceptibility of the cross section to change. Periodic measurements of discharge are used to calibrate and validate the index rating for the range of conditions experienced at the gaging station. Data from discharge measurements, ADVMs, and stage sensors are compiled for index-rating analysis. Index ratings are developed by means of regression

COMPUTATIONAL MODELS FOR SUSTAINABLE DEVELOPMENT

OpenAIRE

Monendra Grover; Rajesh Kumar; Tapan Kumar Mondal; S. Rajkumar

2011-01-01

Genetic erosion is a serious problem and computational models have been developed to prevent it. The computational modeling in this field not only includes (terrestrial) reserve design, but also decision modeling for related problems such as habitat restoration, marine reserve design, and nonreserve approaches to conservation management. Models have been formulated for evaluating tradeoffs between socioeconomic, biophysical, and spatial criteria in establishing marine reserves. The percolatio...

Creation of the computer model of the 'Ukrytie'

International Nuclear Information System (INIS)

Rud'ko, V.M.; Sidorenko, M.V.; Glukhen'kij, V.N.; Ankyanets, K.I.; Kozoriz, V.I.; Kuzin, V.M.

1998-01-01

This work covers analysis of initial documentation and other materials which are basic for developing of the computer spatial (3-dimensional) model of the 'Ukrytie', the grounds are given in a short from to practical application of the spatial model of the 'Ukrytie' in developing methods of stabilization of building structures of the 'Ukrytie' and safe removing of blockages, fuel containing materials (FCM) and other radio active waste, safe technological methods of transforming the 'Ukrytie' into an ecologically safe system. Also description of the required hardware and software is given

A comparative approach to computer aided design model of a dog femur.

Science.gov (United States)

Turamanlar, O; Verim, O; Karabulut, A

2016-01-01

Computer assisted technologies offer new opportunities in medical imaging and rapid prototyping in biomechanical engineering. Three dimensional (3D) modelling of soft tissues and bones are becoming more important. The accuracy of the analysis in modelling processes depends on the outline of the tissues derived from medical images. The aim of this study is the evaluation of the accuracy of 3D models of a dog femur derived from computed tomography data by using point cloud method and boundary line method on several modelling software. Solidworks, Rapidform and 3DSMax software were used to create 3D models and outcomes were evaluated statistically. The most accurate 3D prototype of the dog femur was created with stereolithography method using rapid prototype device. Furthermore, the linearity of the volumes of models was investigated between software and the constructed models. The difference between the software and real models manifests the sensitivity of the software and the devices used in this manner.

Fibonacci’s Computation Methods vs Modern Algorithms

Directory of Open Access Journals (Sweden)

Ernesto Burattini

2013-12-01

Full Text Available In this paper we discuss some computational procedures given by Leonardo Pisano Fibonacci in his famous Liber Abaci book, and we propose their translation into a modern language for computers (C ++. Among the other we describe the method of “cross” multiplication, we evaluate its computational complexity in algorithmic terms and we show the output of a C ++ code that describes the development of the method applied to the product of two integers. In a similar way we show the operations performed on fractions introduced by Fibonacci. Thanks to the possibility to reproduce on a computer, the Fibonacci’s different computational procedures, it was possible to identify some calculation errors present in the different versions of the original text.

Visual Attention Modeling for Stereoscopic Video: A Benchmark and Computational Model.

Science.gov (United States)

Fang, Yuming; Zhang, Chi; Li, Jing; Lei, Jianjun; Perreira Da Silva, Matthieu; Le Callet, Patrick

2017-10-01

In this paper, we investigate the visual attention modeling for stereoscopic video from the following two aspects. First, we build one large-scale eye tracking database as the benchmark of visual attention modeling for stereoscopic video. The database includes 47 video sequences and their corresponding eye fixation data. Second, we propose a novel computational model of visual attention for stereoscopic video based on Gestalt theory. In the proposed model, we extract the low-level features, including luminance, color, texture, and depth, from discrete cosine transform coefficients, which are used to calculate feature contrast for the spatial saliency computation. The temporal saliency is calculated by the motion contrast from the planar and depth motion features in the stereoscopic video sequences. The final saliency is estimated by fusing the spatial and temporal saliency with uncertainty weighting, which is estimated by the laws of proximity, continuity, and common fate in Gestalt theory. Experimental results show that the proposed method outperforms the state-of-the-art stereoscopic video saliency detection models on our built large-scale eye tracking database and one other database (DML-ITRACK-3D).

Computer modeling of lung cancer diagnosis-to-treatment process.

Science.gov (United States)

Ju, Feng; Lee, Hyo Kyung; Osarogiagbon, Raymond U; Yu, Xinhua; Faris, Nick; Li, Jingshan

2015-08-01

We introduce an example of a rigorous, quantitative method for quality improvement in lung cancer care-delivery. Computer process modeling methods are introduced for lung cancer diagnosis, staging and treatment selection process. Two types of process modeling techniques, discrete event simulation (DES) and analytical models, are briefly reviewed. Recent developments in DES are outlined and the necessary data and procedures to develop a DES model for lung cancer diagnosis, leading up to surgical treatment process are summarized. The analytical models include both Markov chain model and closed formulas. The Markov chain models with its application in healthcare are introduced and the approach to derive a lung cancer diagnosis process model is presented. Similarly, the procedure to derive closed formulas evaluating the diagnosis process performance is outlined. Finally, the pros and cons of these methods are discussed.

Computational multiscale modeling of fluids and solids theory and applications

CERN Document Server

Steinhauser, Martin Oliver

2017-01-01

The idea of the book is to provide a comprehensive overview of computational physics methods and techniques, that are used for materials modeling on different length and time scales. Each chapter first provides an overview of the basic physical principles which are the basis for the numerical and mathematical modeling on the respective length-scale. The book includes the micro-scale, the meso-scale and the macro-scale, and the chapters follow this classification. The book explains in detail many tricks of the trade of some of the most important methods and techniques that are used to simulate materials on the perspective levels of spatial and temporal resolution. Case studies are included to further illustrate some methods or theoretical considerations. Example applications for all techniques are provided, some of which are from the author’s own contributions to some of the research areas. The second edition has been expanded by new sections in computational models on meso/macroscopic scales for ocean and a...

New or improved computational methods and advanced reactor design

International Nuclear Information System (INIS)

Nakagawa, Masayuki; Takeda, Toshikazu; Ushio, Tadashi

1997-01-01

Nuclear computational method has been studied continuously up to date, as a fundamental technology supporting the nuclear development. At present, research on computational method according to new theory and the calculating method thought to be difficult to practise are also continued actively to find new development due to splendid improvement of features of computer. In Japan, many light water type reactors are now in operations, new computational methods are induced for nuclear design, and a lot of efforts are concentrated for intending to more improvement of economics and safety. In this paper, some new research results on the nuclear computational methods and their application to nuclear design of the reactor were described for introducing recent trend of the nuclear design of the reactor. 1) Advancement of the computational method, 2) Reactor core design and management of the light water reactor, and 3) Nuclear design of the fast reactor. (G.K.)

The relationship between venture capital investment and macro economic variables via statistical computation method

Science.gov (United States)

Aygunes, Gunes

2017-07-01

The objective of this paper is to survey and determine the macroeconomic factors affecting the level of venture capital (VC) investments in a country. The literary depends on venture capitalists' quality and countries' venture capital investments. The aim of this paper is to give relationship between venture capital investment and macro economic variables via statistical computation method. We investigate the countries and macro economic variables. By using statistical computation method, we derive correlation between venture capital investments and macro economic variables. According to method of logistic regression model (logit regression or logit model), macro economic variables are correlated with each other in three group. Venture capitalists regard correlations as a indicator. Finally, we give correlation matrix of our results.

Seismic wavefield modeling based on time-domain symplectic and Fourier finite-difference method

Science.gov (United States)

Fang, Gang; Ba, Jing; Liu, Xin-xin; Zhu, Kun; Liu, Guo-Chang

2017-06-01

Seismic wavefield modeling is important for improving seismic data processing and interpretation. Calculations of wavefield propagation are sometimes not stable when forward modeling of seismic wave uses large time steps for long times. Based on the Hamiltonian expression of the acoustic wave equation, we propose a structure-preserving method for seismic wavefield modeling by applying the symplectic finite-difference method on time grids and the Fourier finite-difference method on space grids to solve the acoustic wave equation. The proposed method is called the symplectic Fourier finite-difference (symplectic FFD) method, and offers high computational accuracy and improves the computational stability. Using acoustic approximation, we extend the method to anisotropic media. We discuss the calculations in the symplectic FFD method for seismic wavefield modeling of isotropic and anisotropic media, and use the BP salt model and BP TTI model to test the proposed method. The numerical examples suggest that the proposed method can be used in seismic modeling of strongly variable velocities, offering high computational accuracy and low numerical dispersion. The symplectic FFD method overcomes the residual qSV wave of seismic modeling in anisotropic media and maintains the stability of the wavefield propagation for large time steps.

A computational method for sharp interface advection

Science.gov (United States)

Bredmose, Henrik; Jasak, Hrvoje

2016-01-01

We devise a numerical method for passive advection of a surface, such as the interface between two incompressible fluids, across a computational mesh. The method is called isoAdvector, and is developed for general meshes consisting of arbitrary polyhedral cells. The algorithm is based on the volume of fluid (VOF) idea of calculating the volume of one of the fluids transported across the mesh faces during a time step. The novelty of the isoAdvector concept consists of two parts. First, we exploit an isosurface concept for modelling the interface inside cells in a geometric surface reconstruction step. Second, from the reconstructed surface, we model the motion of the face–interface intersection line for a general polygonal face to obtain the time evolution within a time step of the submerged face area. Integrating this submerged area over the time step leads to an accurate estimate for the total volume of fluid transported across the face. The method was tested on simple two-dimensional and three-dimensional interface advection problems on both structured and unstructured meshes. The results are very satisfactory in terms of volume conservation, boundedness, surface sharpness and efficiency. The isoAdvector method was implemented as an OpenFOAM® extension and is published as open source. PMID:28018619

A computational method for sharp interface advection.

Science.gov (United States)

Roenby, Johan; Bredmose, Henrik; Jasak, Hrvoje

2016-11-01

We devise a numerical method for passive advection of a surface, such as the interface between two incompressible fluids, across a computational mesh. The method is called isoAdvector, and is developed for general meshes consisting of arbitrary polyhedral cells. The algorithm is based on the volume of fluid (VOF) idea of calculating the volume of one of the fluids transported across the mesh faces during a time step. The novelty of the isoAdvector concept consists of two parts. First, we exploit an isosurface concept for modelling the interface inside cells in a geometric surface reconstruction step. Second, from the reconstructed surface, we model the motion of the face-interface intersection line for a general polygonal face to obtain the time evolution within a time step of the submerged face area. Integrating this submerged area over the time step leads to an accurate estimate for the total volume of fluid transported across the face. The method was tested on simple two-dimensional and three-dimensional interface advection problems on both structured and unstructured meshes. The results are very satisfactory in terms of volume conservation, boundedness, surface sharpness and efficiency. The isoAdvector method was implemented as an OpenFOAM ® extension and is published as open source.

Models and methods for design and implementation of computer based control and monitoring systems for production cells

DEFF Research Database (Denmark)

Lynggaard, Hans Jørgen Birk

This dissertation is concerned with the engineering, i.e. the designing and making, of industrial cell control systems. The focus is on automated robot welding cells in the shipbuilding industry. The industrial research project defines models and methods for design and implementation of computer...... through the implementation of two cell control systems for robot welding cells in production at Odense Steel Shipyard.It is concluded that cell control technology provides for increased performance in production systems, and that the Cell Control Engineering concept reduces the effort for providing high...... quality and high functionality cell control solutions for the industry....

CMS computing model evolution

International Nuclear Information System (INIS)

Grandi, C; Bonacorsi, D; Colling, D; Fisk, I; Girone, M

2014-01-01

The CMS Computing Model was developed and documented in 2004. Since then the model has evolved to be more flexible and to take advantage of new techniques, but many of the original concepts remain and are in active use. In this presentation we will discuss the changes planned for the restart of the LHC program in 2015. We will discuss the changes planning in the use and definition of the computing tiers that were defined with the MONARC project. We will present how we intend to use new services and infrastructure to provide more efficient and transparent access to the data. We will discuss the computing plans to make better use of the computing capacity by scheduling more of the processor nodes, making better use of the disk storage, and more intelligent use of the networking.

Computational biomechanics for medicine imaging, modeling and computing

CERN Document Server

Doyle, Barry; Wittek, Adam; Nielsen, Poul; Miller, Karol

2016-01-01

The Computational Biomechanics for Medicine titles provide an opportunity for specialists in computational biomechanics to present their latest methodologies and advancements. This volume comprises eighteen of the newest approaches and applications of computational biomechanics, from researchers in Australia, New Zealand, USA, UK, Switzerland, Scotland, France and Russia. Some of the interesting topics discussed are: tailored computational models; traumatic brain injury; soft-tissue mechanics; medical image analysis; and clinically-relevant simulations. One of the greatest challenges facing the computational engineering community is to extend the success of computational mechanics to fields outside traditional engineering, in particular to biology, the biomedical sciences, and medicine. We hope the research presented within this book series will contribute to overcoming this grand challenge.

Simulation models for computational plasma physics: Concluding report

International Nuclear Information System (INIS)

Hewett, D.W.

1994-01-01

In this project, the authors enhanced their ability to numerically simulate bounded plasmas that are dominated by low-frequency electric and magnetic fields. They moved towards this goal in several ways; they are now in a position to play significant roles in the modeling of low-frequency electromagnetic plasmas in several new industrial applications. They have significantly increased their facility with the computational methods invented to solve the low frequency limit of Maxwell's equations (DiPeso, Hewett, accepted, J. Comp. Phys., 1993). This low frequency model is called the Streamlined Darwin Field model (SDF, Hewett, Larson, and Doss, J. Comp. Phys., 1992) has now been implemented in a fully non-neutral SDF code BEAGLE (Larson, Ph.D. dissertation, 1993) and has further extended to the quasi-neutral limit (DiPeso, Hewett, Comp. Phys. Comm., 1993). In addition, they have resurrected the quasi-neutral, zero-electron-inertia model (ZMR) and began the task of incorporating internal boundary conditions into this model that have the flexibility of those in GYMNOS, a magnetostatic code now used in ion source work (Hewett, Chen, ICF Quarterly Report, July--September, 1993). Finally, near the end of this project, they invented a new type of banded matrix solver that can be implemented on a massively parallel computer -- thus opening the door for the use of all their ADI schemes on these new computer architecture's (Mattor, Williams, Hewett, submitted to Parallel Computing, 1993)

Applying computer modeling to eddy current signal analysis for steam generator and heat exchanger tube inspections

International Nuclear Information System (INIS)

Sullivan, S.P.; Cecco, V.S.; Carter, J.R.; Spanner, M.; McElvanney, M.; Krause, T.W.; Tkaczyk, R.

2000-01-01

Licensing requirements for eddy current inspections for nuclear steam generators and heat exchangers are becoming increasingly stringent. The traditional industry-standard method of comparing inspection signals with flaw signals from simple in-line calibration standards is proving to be inadequate. A more complete understanding of eddy current and magnetic field interactions with flaws and other anomalies is required for the industry to generate consistently reliable inspections. Computer modeling is a valuable tool in improving the reliability of eddy current signal analysis. Results from computer modeling are helping inspectors to properly discriminate between real flaw signals and false calls, and improving reliability in flaw sizing. This presentation will discuss complementary eddy current computer modeling techniques such as the Finite Element Method (FEM), Volume Integral Method (VIM), Layer Approximation and other analytic methods. Each of these methods have advantages and limitations. An extension of the Layer Approximation to model eddy current probe responses to ferromagnetic materials will also be presented. Finally examples will be discussed demonstrating how some significant eddy current signal analysis problems have been resolved using appropriate electromagnetic computer modeling tools

Pair Programming as a Modern Method of Teaching Computer Science

Directory of Open Access Journals (Sweden)

Irena Nančovska Šerbec

2008-10-01

Full Text Available At the Faculty of Education, University of Ljubljana we educate future computer science teachers. Beside didactical, pedagogical, mathematical and other interdisciplinary knowledge, students gain knowledge and skills of programming that are crucial for computer science teachers. For all courses, the main emphasis is the absorption of professional competences, related to the teaching profession and the programming profile. The latter are selected according to the well-known document, the ACM Computing Curricula. The professional knowledge is therefore associated and combined with the teaching knowledge and skills. In the paper we present how to achieve competences related to programming by using different didactical models (semiotic ladder, cognitive objectives taxonomy, problem solving and modern teaching method “pair programming”. Pair programming differs from standard methods (individual work, seminars, projects etc.. It belongs to the extreme programming as a discipline of software development and is known to have positive effects on teaching first programming language. We have experimentally observed pair programming in the introductory programming course. The paper presents and analyzes the results of using this method: the aspects of satisfaction during programming and the level of gained knowledge. The results are in general positive and demonstrate the promising usage of this teaching method.

A systematic investigation of computation models for predicting Adverse Drug Reactions (ADRs.

Directory of Open Access Journals (Sweden)

Qifan Kuang

Full Text Available Early and accurate identification of adverse drug reactions (ADRs is critically important for drug development and clinical safety. Computer-aided prediction of ADRs has attracted increasing attention in recent years, and many computational models have been proposed. However, because of the lack of systematic analysis and comparison of the different computational models, there remain limitations in designing more effective algorithms and selecting more useful features. There is therefore an urgent need to review and analyze previous computation models to obtain general conclusions that can provide useful guidance to construct more effective computational models to predict ADRs.In the current study, the main work is to compare and analyze the performance of existing computational methods to predict ADRs, by implementing and evaluating additional algorithms that have been earlier used for predicting drug targets. Our results indicated that topological and intrinsic features were complementary to an extent and the Jaccard coefficient had an important and general effect on the prediction of drug-ADR associations. By comparing the structure of each algorithm, final formulas of these algorithms were all converted to linear model in form, based on this finding we propose a new algorithm called the general weighted profile method and it yielded the best overall performance among the algorithms investigated in this paper.Several meaningful conclusions and useful findings regarding the prediction of ADRs are provided for selecting optimal features and algorithms.

The IceCube Computing Infrastructure Model

CERN Multimedia

CERN. Geneva

2012-01-01

Besides the big LHC experiments a number of mid-size experiments is coming online which need to define new computing models to meet the demands on processing and storage requirements of those experiments. We present the hybrid computing model of IceCube which leverages GRID models with a more flexible direct user model as an example of a possible solution. In IceCube a central datacenter at UW-Madison servers as Tier-0 with a single Tier-1 datacenter at DESY Zeuthen. We describe the setup of the IceCube computing infrastructure and report on our experience in successfully provisioning the IceCube computing needs.

Computational fluid dynamics analysis of an innovative start-up method of high temperature fuel cells using dynamic 3d model

Directory of Open Access Journals (Sweden)

Kupecki Jakub

2017-03-01

Full Text Available The article presents a numerical analysis of an innovative method for starting systems based on high temperature fuel cells. The possibility of preheating the fuel cell stacks from the cold state to the nominal working conditions encounters several limitations related to heat transfer and stability of materials. The lack of rapid and safe start-up methods limits the proliferation of MCFCs and SOFCs. For that reason, an innovative method was developed and verified using the numerical analysis presented in the paper. A dynamic 3D model was developed that enables thermo-fluidic investigations and determination of measures for shortening the preheating time of the high temperature fuel cell stacks. The model was implemented in ANSYS Fluent computational fluid dynamic (CFD software and was used for verification of the proposed start-up method. The SOFC was chosen as a reference fuel cell technology for the study. Results obtained from the study are presented and discussed.

A Fuzzy Computing Model for Identifying Polarity of Chinese Sentiment Words.

Science.gov (United States)

Wang, Bingkun; Huang, Yongfeng; Wu, Xian; Li, Xing

2015-01-01

With the spurt of online user-generated contents on web, sentiment analysis has become a very active research issue in data mining and natural language processing. As the most important indicator of sentiment, sentiment words which convey positive and negative polarity are quite instrumental for sentiment analysis. However, most of the existing methods for identifying polarity of sentiment words only consider the positive and negative polarity by the Cantor set, and no attention is paid to the fuzziness of the polarity intensity of sentiment words. In order to improve the performance, we propose a fuzzy computing model to identify the polarity of Chinese sentiment words in this paper. There are three major contributions in this paper. Firstly, we propose a method to compute polarity intensity of sentiment morphemes and sentiment words. Secondly, we construct a fuzzy sentiment classifier and propose two different methods to compute the parameter of the fuzzy classifier. Thirdly, we conduct extensive experiments on four sentiment words datasets and three review datasets, and the experimental results indicate that our model performs better than the state-of-the-art methods.

Multiscale models and stochastic simulation methods for computing rare but key binding events in cell biology

Energy Technology Data Exchange (ETDEWEB)

Guerrier, C. [Applied Mathematics and Computational Biology, IBENS, Ecole Normale Supérieure, 46 rue d' Ulm, 75005 Paris (France); Holcman, D., E-mail: david.holcman@ens.fr [Applied Mathematics and Computational Biology, IBENS, Ecole Normale Supérieure, 46 rue d' Ulm, 75005 Paris (France); Mathematical Institute, Oxford OX2 6GG, Newton Institute (United Kingdom)

2017-07-01

The main difficulty in simulating diffusion processes at a molecular level in cell microdomains is due to the multiple scales involving nano- to micrometers. Few to many particles have to be simulated and simultaneously tracked while there are exploring a large portion of the space for binding small targets, such as buffers or active sites. Bridging the small and large spatial scales is achieved by rare events representing Brownian particles finding small targets and characterized by long-time distribution. These rare events are the bottleneck of numerical simulations. A naive stochastic simulation requires running many Brownian particles together, which is computationally greedy and inefficient. Solving the associated partial differential equations is also difficult due to the time dependent boundary conditions, narrow passages and mixed boundary conditions at small windows. We present here two reduced modeling approaches for a fast computation of diffusing fluxes in microdomains. The first approach is based on a Markov mass-action law equations coupled to a Markov chain. The second is a Gillespie's method based on the narrow escape theory for coarse-graining the geometry of the domain into Poissonian rates. The main application concerns diffusion in cellular biology, where we compute as an example the distribution of arrival times of calcium ions to small hidden targets to trigger vesicular release.

Multiscale models and stochastic simulation methods for computing rare but key binding events in cell biology

International Nuclear Information System (INIS)

Guerrier, C.; Holcman, D.

2017-01-01

The main difficulty in simulating diffusion processes at a molecular level in cell microdomains is due to the multiple scales involving nano- to micrometers. Few to many particles have to be simulated and simultaneously tracked while there are exploring a large portion of the space for binding small targets, such as buffers or active sites. Bridging the small and large spatial scales is achieved by rare events representing Brownian particles finding small targets and characterized by long-time distribution. These rare events are the bottleneck of numerical simulations. A naive stochastic simulation requires running many Brownian particles together, which is computationally greedy and inefficient. Solving the associated partial differential equations is also difficult due to the time dependent boundary conditions, narrow passages and mixed boundary conditions at small windows. We present here two reduced modeling approaches for a fast computation of diffusing fluxes in microdomains. The first approach is based on a Markov mass-action law equations coupled to a Markov chain. The second is a Gillespie's method based on the narrow escape theory for coarse-graining the geometry of the domain into Poissonian rates. The main application concerns diffusion in cellular biology, where we compute as an example the distribution of arrival times of calcium ions to small hidden targets to trigger vesicular release.

Integrated computation model of lithium-ion battery subject to nail penetration

International Nuclear Information System (INIS)

Liu, Binghe; Yin, Sha; Xu, Jun

2016-01-01

Highlights: • A coupling model to predict battery penetration process is established. • Penetration test is designed and validates the computational model. • Governing factors of the penetration induced short-circuit is discussed. • Critical safety battery design guidance is suggested. - Abstract: The nail penetration of lithium-ion batteries (LIBs) has become a standard battery safety evaluation method to mimic the potential penetration of a foreign object into LIB, which can lead to internal short circuit with catastrophic consequences, such as thermal runaway, fire, and explosion. To provide a safe, time-efficient, and cost-effective method for studying the nail penetration problem, an integrated computational method that considers the mechanical, electrochemical, and thermal behaviors of the jellyroll was developed using a coupled 3D mechanical model, a 1D battery model, and a short circuit model. The integrated model, along with the sub-models, was validated to agree reasonably well with experimental test data. In addition, a comprehensive quantitative analysis of governing factors, e.g., shapes, sizes, and displacements of nails, states of charge, and penetration speeds, was conducted. The proposed computational framework for LIB nail penetration was first introduced. This framework can provide an accurate prediction of the time history profile of battery voltage, temperature, and mechanical behavior. The factors that affected the behavior of the jellyroll under nail penetration were discussed systematically. Results provide a solid foundation for future in-depth studies on LIB nail penetration mechanisms and safety design.

Computational Modeling of Photonic Crystal Microcavity Single-Photon Emitters

Science.gov (United States)

Saulnier, Nicole A.

Conventional cryptography is based on algorithms that are mathematically complex and difficult to solve, such as factoring large numbers. The advent of a quantum computer would render these schemes useless. As scientists work to develop a quantum computer, cryptographers are developing new schemes for unconditionally secure cryptography. Quantum key distribution has emerged as one of the potential replacements of classical cryptography. It relics on the fact that measurement of a quantum bit changes the state of the bit and undetected eavesdropping is impossible. Single polarized photons can be used as the quantum bits, such that a quantum system would in some ways mirror the classical communication scheme. The quantum key distribution system would include components that create, transmit and detect single polarized photons. The focus of this work is on the development of an efficient single-photon source. This source is comprised of a single quantum dot inside of a photonic crystal microcavity. To better understand the physics behind the device, a computational model is developed. The model uses Finite-Difference Time-Domain methods to analyze the electromagnetic field distribution in photonic crystal microcavities. It uses an 8-band k · p perturbation theory to compute the energy band structure of the epitaxially grown quantum dots. We discuss a method that combines the results of these two calculations for determining the spontaneous emission lifetime of a quantum dot in bulk material or in a microcavity. The computational models developed in this thesis are used to identify and characterize microcavities for potential use in a single-photon source. The computational tools developed are also used to investigate novel photonic crystal microcavities that incorporate 1D distributed Bragg reflectors for vertical confinement. It is found that the spontaneous emission enhancement in the quasi-3D cavities can be significantly greater than in traditional suspended slab

Computational electromagnetic methods for transcranial magnetic stimulation

Science.gov (United States)

Gomez, Luis J.

Transcranial magnetic stimulation (TMS) is a noninvasive technique used both as a research tool for cognitive neuroscience and as a FDA approved treatment for depression. During TMS, coils positioned near the scalp generate electric fields and activate targeted brain regions. In this thesis, several computational electromagnetics methods that improve the analysis, design, and uncertainty quantification of TMS systems were developed. Analysis: A new fast direct technique for solving the large and sparse linear system of equations (LSEs) arising from the finite difference (FD) discretization of Maxwell's quasi-static equations was developed. Following a factorization step, the solver permits computation of TMS fields inside realistic brain models in seconds, allowing for patient-specific real-time usage during TMS. The solver is an alternative to iterative methods for solving FD LSEs, often requiring run-times of minutes. A new integral equation (IE) method for analyzing TMS fields was developed. The human head is highly-heterogeneous and characterized by high-relative permittivities (107). IE techniques for analyzing electromagnetic interactions with such media suffer from high-contrast and low-frequency breakdowns. The novel high-permittivity and low-frequency stable internally combined volume-surface IE method developed. The method not only applies to the analysis of high-permittivity objects, but it is also the first IE tool that is stable when analyzing highly-inhomogeneous negative permittivity plasmas. Design: TMS applications call for electric fields to be sharply focused on regions that lie deep inside the brain. Unfortunately, fields generated by present-day Figure-8 coils stimulate relatively large regions near the brain surface. An optimization method for designing single feed TMS coil-arrays capable of producing more localized and deeper stimulation was developed. Results show that the coil-arrays stimulate 2.4 cm into the head while stimulating 3

Discrete gradient methods for solving variational image regularisation models

International Nuclear Information System (INIS)

Grimm, V; McLachlan, Robert I; McLaren, David I; Quispel, G R W; Schönlieb, C-B

2017-01-01

Discrete gradient methods are well-known methods of geometric numerical integration, which preserve the dissipation of gradient systems. In this paper we show that this property of discrete gradient methods can be interesting in the context of variational models for image processing, that is where the processed image is computed as a minimiser of an energy functional. Numerical schemes for computing minimisers of such energies are desired to inherit the dissipative property of the gradient system associated to the energy and consequently guarantee a monotonic decrease of the energy along iterations, avoiding situations in which more computational work might lead to less optimal solutions. Under appropriate smoothness assumptions on the energy functional we prove that discrete gradient methods guarantee a monotonic decrease of the energy towards stationary states, and we promote their use in image processing by exhibiting experiments with convex and non-convex variational models for image deblurring, denoising, and inpainting. (paper)

Experiences using DAKOTA stochastic expansion methods in computational simulations.

Energy Technology Data Exchange (ETDEWEB)

Templeton, Jeremy Alan; Ruthruff, Joseph R.

2012-01-01

Uncertainty quantification (UQ) methods bring rigorous statistical connections to the analysis of computational and experiment data, and provide a basis for probabilistically assessing margins associated with safety and reliability. The DAKOTA toolkit developed at Sandia National Laboratories implements a number of UQ methods, which are being increasingly adopted by modeling and simulation teams to facilitate these analyses. This report disseminates results as to the performance of DAKOTA's stochastic expansion methods for UQ on a representative application. Our results provide a number of insights that may be of interest to future users of these methods, including the behavior of the methods in estimating responses at varying probability levels, and the expansion levels for the methodologies that may be needed to achieve convergence.

Universal quantum computation by scattering in the Fermi–Hubbard model

International Nuclear Information System (INIS)

Bao, Ning; Hayden, Patrick; Salton, Grant; Thomas, Nathaniel

2015-01-01

The Hubbard model may be the simplest model of particles interacting on a lattice, but simulation of its dynamics remains beyond the reach of current numerical methods. In this article, we show that general quantum computations can be encoded into the physics of wave packets propagating through a planar graph, with scattering interactions governed by the fermionic Hubbard model. Therefore, simulating the model on planar graphs is as hard as simulating quantum computation. We give two different arguments, demonstrating that the simulation is difficult both for wave packets prepared as excitations of the fermionic vacuum, and for hole wave packets at filling fraction one-half in the limit of strong coupling. In the latter case, which is described by the t-J model, there is only reflection and no transmission in the scattering events, as would be the case for classical hard spheres. In that sense, the construction provides a quantum mechanical analog of the Fredkin–Toffoli billiard ball computer. (paper)

Fluid-Induced Vibration Analysis for Reactor Internals Using Computational FSI Method

Energy Technology Data Exchange (ETDEWEB)

Moon, Jong Sung; Yi, Kun Woo; Sung, Ki Kwang; Im, In Young; Choi, Taek Sang [KEPCO E and C, Daejeon (Korea, Republic of)

2013-10-15

This paper introduces a fluid-induced vibration analysis method which calculates the response of the RVI to both deterministic and random loads at once and utilizes more realistic pressure distribution using the computational Fluid Structure Interaction (FSI) method. As addressed above, the FIV analysis for the RVI was carried out using the computational FSI method. This method calculates the response to deterministic and random turbulence loads at once. This method is also a simple and integrative method to get structural dynamic responses of reactor internals to various flow-induced loads. Because the analysis of this paper omitted the bypass flow region and Inner Barrel Assembly (IBA) due to the limitation of computer resources, it is necessary to find an effective way to consider all regions in the RV for the FIV analysis in the future. Reactor coolant flow makes Reactor Vessel Internals (RVI) vibrate and may affect the structural integrity of them. U. S. NRC Regulatory Guide 1.20 requires the Comprehensive Vibration Assessment Program (CVAP) to verify the structural integrity of the RVI for Fluid-Induced Vibration (FIV). The hydraulic forces on the RVI of OPR1000 and APR1400 were computed from the hydraulic formulas and the CVAP measurements in Palo Verde Unit 1 and Yonggwang Unit 4 for the structural vibration analyses. In this method, the hydraulic forces were divided into deterministic and random turbulence loads and were used for the excitation forces of the separate structural analyses. These forces are applied to the finite element model and the responses to them were combined into the resultant stresses.

Computer tomography of flows external to test models

Science.gov (United States)

Prikryl, I.; Vest, C. M.

1982-01-01

Computer tomographic techniques for reconstruction of three-dimensional aerodynamic density fields, from interferograms recorded from several different viewing directions were studied. Emphasis is on the case in which an opaque object such as a test model in a wind tunnel obscures significant regions of the interferograms (projection data). A method called the Iterative Convolution Method (ICM), existing methods in which the field is represented by a series expansions, and analysis of real experimental data in the form of aerodynamic interferograms are discussed.

A new computational method for reactive power market clearing

International Nuclear Information System (INIS)

Zhang, T.; Elkasrawy, A.; Venkatesh, B.

2009-01-01

After deregulation of electricity markets, ancillary services such as reactive power supply are priced separately. However, unlike real power supply, procedures for costing and pricing reactive power supply are still evolving and spot markets for reactive power do not exist as of now. Further, traditional formulations proposed for clearing reactive power markets use a non-linear mixed integer programming formulation that are difficult to solve. This paper proposes a new reactive power supply market clearing scheme. Novelty of this formulation lies in the pricing scheme that rewards transformers for tap shifting while participating in this market. The proposed model is a non-linear mixed integer challenge. A significant portion of the manuscript is devoted towards the development of a new successive mixed integer linear programming (MILP) technique to solve this formulation. The successive MILP method is computationally robust and fast. The IEEE 6-bus and 300-bus systems are used to test the proposed method. These tests serve to demonstrate computational speed and rigor of the proposed method. (author)

Laboratory Sequence in Computational Methods for Introductory Chemistry

Science.gov (United States)

Cody, Jason A.; Wiser, Dawn C.

2003-07-01

A four-exercise laboratory sequence for introductory chemistry integrating hands-on, student-centered experience with computer modeling has been designed and implemented. The progression builds from exploration of molecular shapes to intermolecular forces and the impact of those forces on chemical separations made with gas chromatography and distillation. The sequence ends with an exploration of molecular orbitals. The students use the computers as a tool; they build the molecules, submit the calculations, and interpret the results. Because of the construction of the sequence and its placement spanning the semester break, good laboratory notebook practices are reinforced and the continuity of course content and methods between semesters is emphasized. The inclusion of these techniques in the first year of chemistry has had a positive impact on student perceptions and student learning.

The impact of different cone beam computed tomography and multi-slice computed tomography scan parameters on virtual three-dimensional model accuracy using a highly precise ex vivo evaluation method.

Science.gov (United States)

Matta, Ragai-Edward; von Wilmowsky, Cornelius; Neuhuber, Winfried; Lell, Michael; Neukam, Friedrich W; Adler, Werner; Wichmann, Manfred; Bergauer, Bastian

2016-05-01

Multi-slice computed tomography (MSCT) and cone beam computed tomography (CBCT) are indispensable imaging techniques in advanced medicine. The possibility of creating virtual and corporal three-dimensional (3D) models enables detailed planning in craniofacial and oral surgery. The objective of this study was to evaluate the impact of different scan protocols for CBCT and MSCT on virtual 3D model accuracy using a software-based evaluation method that excludes human measurement errors. MSCT and CBCT scans with different manufacturers' predefined scan protocols were obtained from a human lower jaw and were superimposed with a master model generated by an optical scan of an industrial noncontact scanner. To determine the accuracy, the mean and standard deviations were calculated, and t-tests were used for comparisons between the different settings. Averaged over 10 repeated X-ray scans per method and 19 measurement points per scan (n = 190), it was found that the MSCT scan protocol 140 kV delivered the most accurate virtual 3D model, with a mean deviation of 0.106 mm compared to the master model. Only the CBCT scans with 0.2-voxel resolution delivered a similar accurate 3D model (mean deviation 0.119 mm). Within the limitations of this study, it was demonstrated that the accuracy of a 3D model of the lower jaw depends on the protocol used for MSCT and CBCT scans. Copyright © 2016 European Association for Cranio-Maxillo-Facial Surgery. Published by Elsevier Ltd. All rights reserved.

Computational Quantum Mechanics for Materials Engineers The EMTO Method and Applications

CERN Document Server

Vitos, L

2007-01-01

Traditionally, new materials have been developed by empirically correlating their chemical composition, and the manufacturing processes used to form them, with their properties. Until recently, metallurgists have not used quantum theory for practical purposes. However, the development of modern density functional methods means that today, computational quantum mechanics can help engineers to identify and develop novel materials. Computational Quantum Mechanics for Materials Engineers describes new approaches to the modelling of disordered alloys that combine the most efficient quantum-level th

Computational Modelling of Piston Ring Dynamics in 3D

Directory of Open Access Journals (Sweden)

Dlugoš Jozef

2014-12-01

Full Text Available Advanced computational models of a piston assembly based on the level of virtual prototypes require a detailed description of piston ring behaviour. Considering these requirements, the piston rings operate in regimes that cannot, in general, be simplified into an axisymmetric model. The piston and the cylinder liner do not have a perfect round shape, mainly due to machining tolerances and external thermo-mechanical loads. If the ring cannot follow the liner deformations, a local loss of contact occurs resulting in blow-by and increased consumption of lubricant oil in the engine. Current computational models are unable to implement such effects. The paper focuses on the development of a flexible 3D piston ring model based on the Timoshenko beam theory using the multibody system (MBS. The MBS model is compared to the finite element method (FEM solution.

Numerical models for computation of pollutant-dispersion in the atmosphere

International Nuclear Information System (INIS)

Leder, S.M.; Biesemann-Krueger, A.

1985-04-01

The report describes some models which are used to compute the concentration of emitted pollutants in the lower atmosphere. A dispersion model, developed at the University of Hamburg, is considered in more detail and treated with two different numerical methods. The convergence of the methods is investigated and a comparison of numerical results and dispersion experiments carried out at the Nuclear Research Center Karlsruhe is given. (orig.) [de

Advanced scientific computational methods and their applications of nuclear technologies. (1) Overview of scientific computational methods, introduction of continuum simulation methods and their applications (1)

International Nuclear Information System (INIS)

Oka, Yoshiaki; Okuda, Hiroshi

2006-01-01

Scientific computational methods have advanced remarkably with the progress of nuclear development. They have played the role of weft connecting each realm of nuclear engineering and then an introductory course of advanced scientific computational methods and their applications to nuclear technologies were prepared in serial form. This is the first issue showing their overview and introduction of continuum simulation methods. Finite element method as their applications is also reviewed. (T. Tanaka)

Sierra toolkit computational mesh conceptual model

International Nuclear Information System (INIS)

Baur, David G.; Edwards, Harold Carter; Cochran, William K.; Williams, Alan B.; Sjaardema, Gregory D.

2010-01-01

The Sierra Toolkit computational mesh is a software library intended to support massively parallel multi-physics computations on dynamically changing unstructured meshes. This domain of intended use is inherently complex due to distributed memory parallelism, parallel scalability, heterogeneity of physics, heterogeneous discretization of an unstructured mesh, and runtime adaptation of the mesh. Management of this inherent complexity begins with a conceptual analysis and modeling of this domain of intended use; i.e., development of a domain model. The Sierra Toolkit computational mesh software library is designed and implemented based upon this domain model. Software developers using, maintaining, or extending the Sierra Toolkit computational mesh library must be familiar with the concepts/domain model presented in this report.

English Writing Teaching Model Dependent on Computer Network Corpus Drive Model

Directory of Open Access Journals (Sweden)

Shi Lei

2018-03-01

Full Text Available At present, the mainstream lexicalized English writing methods take only the corpus dependence between words into consideration, without introducing the corpus collocation and other issues. “Drive” is a relatively essential feature of words. And once the drive structure of a word is determined, it will be relatively clear what kinds of words to collocate with, hence the structure of the sentence can be derived relatively directly. In this paper, the English writing model that relies on the computer network corpus drive model is put forward. In this model, rich English corpus is introduced in the decomposition of the rules and the calculation of the probability, which includes not only the corpus dependence information, but also the drive structure and other corpus collocation information. Improved computer network corpus drive model is used to carry out the English writing teaching experiment. The experimental results show that the precision and the recall rate are 88.76% and 87.43%, respectively. The F value of the comprehensive index is improved by 6.65% compared with the Collins headword driven English modes of writing.

Investigations of incorporating source directivity into room acoustics computer models to improve auralizations

Science.gov (United States)

Vigeant, Michelle C.

Room acoustics computer modeling and auralizations are useful tools when designing or modifying acoustically sensitive spaces. In this dissertation, the input parameter of source directivity has been studied in great detail to determine first its effect in room acoustics computer models and secondly how to better incorporate the directional source characteristics into these models to improve auralizations. To increase the accuracy of room acoustics computer models, the source directivity of real sources, such as musical instruments, must be included in the models. The traditional method for incorporating source directivity into room acoustics computer models involves inputting the measured static directivity data taken every 10° in a sphere-shaped pattern around the source. This data can be entered into the room acoustics software to create a directivity balloon, which is used in the ray tracing algorithm to simulate the room impulse response. The first study in this dissertation shows that using directional sources over an omni-directional source in room acoustics computer models produces significant differences both in terms of calculated room acoustics parameters and auralizations. The room acoustics computer model was also validated in terms of accurately incorporating the input source directivity. A recently proposed technique for creating auralizations using a multi-channel source representation has been investigated with numerous subjective studies, applied to both solo instruments and an orchestra. The method of multi-channel auralizations involves obtaining multi-channel anechoic recordings of short melodies from various instruments and creating individual channel auralizations. These auralizations are then combined to create a total multi-channel auralization. Through many subjective studies, this process was shown to be effective in terms of improving the realism and source width of the auralizations in a number of cases, and also modeling different

Coupling of EIT with computational lung modeling for predicting patient-specific ventilatory responses.

Science.gov (United States)

Roth, Christian J; Becher, Tobias; Frerichs, Inéz; Weiler, Norbert; Wall, Wolfgang A

2017-04-01

Providing optimal personalized mechanical ventilation for patients with acute or chronic respiratory failure is still a challenge within a clinical setting for each case anew. In this article, we integrate electrical impedance tomography (EIT) monitoring into a powerful patient-specific computational lung model to create an approach for personalizing protective ventilatory treatment. The underlying computational lung model is based on a single computed tomography scan and able to predict global airflow quantities, as well as local tissue aeration and strains for any ventilation maneuver. For validation, a novel "virtual EIT" module is added to our computational lung model, allowing to simulate EIT images based on the patient's thorax geometry and the results of our numerically predicted tissue aeration. Clinically measured EIT images are not used to calibrate the computational model. Thus they provide an independent method to validate the computational predictions at high temporal resolution. The performance of this coupling approach has been tested in an example patient with acute respiratory distress syndrome. The method shows good agreement between computationally predicted and clinically measured airflow data and EIT images. These results imply that the proposed framework can be used for numerical prediction of patient-specific responses to certain therapeutic measures before applying them to an actual patient. In the long run, definition of patient-specific optimal ventilation protocols might be assisted by computational modeling. NEW & NOTEWORTHY In this work, we present a patient-specific computational lung model that is able to predict global and local ventilatory quantities for a given patient and any selected ventilation protocol. For the first time, such a predictive lung model is equipped with a virtual electrical impedance tomography module allowing real-time validation of the computed results with the patient measurements. First promising results

Computer-Aided Model Based Analysis for Design and Operation of a Copolymerization Process

DEFF Research Database (Denmark)

Lopez-Arenas, Maria Teresa; Sales-Cruz, Alfonso Mauricio; Gani, Rafiqul

2006-01-01

. This will allow analysis of the process behaviour, contribute to a better understanding of the polymerization process, help to avoid unsafe conditions of operation, and to develop operational and optimizing control strategies. In this work, through a computer-aided modeling system ICAS-MoT, two first......The advances in computer science and computational algorithms for process modelling, process simulation, numerical methods and design/synthesis algorithms, makes it advantageous and helpful to employ computer-aided modelling systems and tools for integrated process analysis. This is illustrated......-principles models have been investigated with respect to design and operational issues for solution copolymerization reactors in general, and for the methyl methacrylate/vinyl acetate system in particular. The Model 1 is taken from literature and is commonly used for low conversion region, while the Model 2 has...

Validation of a phytoremediation computer model

International Nuclear Information System (INIS)

Corapcioglu, M.Y.; Sung, K.; Rhykerd, R.L.; Munster, C.; Drew, M.

1999-01-01

The use of plants to stimulate remediation of contaminated soil is an effective, low-cost cleanup method which can be applied to many different sites. A phytoremediation computer model has been developed to simulate how recalcitrant hydrocarbons interact with plant roots in unsaturated soil. A study was conducted to provide data to validate and calibrate the model. During the study, lysimeters were constructed and filled with soil contaminated with 10 [mg kg -1 ] TNT, PBB and chrysene. Vegetated and unvegetated treatments were conducted in triplicate to obtain data regarding contaminant concentrations in the soil, plant roots, root distribution, microbial activity, plant water use and soil moisture. When given the parameters of time and depth, the model successfully predicted contaminant concentrations under actual field conditions. Other model parameters are currently being evaluated. 15 refs., 2 figs

ADOxx Modelling Method Conceptualization Environment

Directory of Open Access Journals (Sweden)

Nesat Efendioglu

2017-04-01

Full Text Available The importance of Modelling Methods Engineering is equally rising with the importance of domain specific languages (DSL and individual modelling approaches. In order to capture the relevant semantic primitives for a particular domain, it is necessary to involve both, (a domain experts, who identify relevant concepts as well as (b method engineers who compose a valid and applicable modelling approach. This process consists of a conceptual design of formal or semi-formal of modelling method as well as a reliable, migratable, maintainable and user friendly software development of the resulting modelling tool. Modelling Method Engineering cycle is often under-estimated as both the conceptual architecture requires formal verification and the tool implementation requires practical usability, hence we propose a guideline and corresponding tools to support actors with different background along this complex engineering process. Based on practical experience in business, more than twenty research projects within the EU frame programmes and a number of bilateral research initiatives, this paper introduces the phases, corresponding a toolbox and lessons learned with the aim to support the engineering of a modelling method. ”The proposed approach is illustrated and validated within use cases from three different EU-funded research projects in the fields of (1 Industry 4.0, (2 e-learning and (3 cloud computing. The paper discusses the approach, the evaluation results and derived outlooks.

Modelling computer networks

International Nuclear Information System (INIS)

Max, G

2011-01-01

Traffic models in computer networks can be described as a complicated system. These systems show non-linear features and to simulate behaviours of these systems are also difficult. Before implementing network equipments users wants to know capability of their computer network. They do not want the servers to be overloaded during temporary traffic peaks when more requests arrive than the server is designed for. As a starting point for our study a non-linear system model of network traffic is established to exam behaviour of the network planned. The paper presents setting up a non-linear simulation model that helps us to observe dataflow problems of the networks. This simple model captures the relationship between the competing traffic and the input and output dataflow. In this paper, we also focus on measuring the bottleneck of the network, which was defined as the difference between the link capacity and the competing traffic volume on the link that limits end-to-end throughput. We validate the model using measurements on a working network. The results show that the initial model estimates well main behaviours and critical parameters of the network. Based on this study, we propose to develop a new algorithm, which experimentally determines and predict the available parameters of the network modelled.

Mathematical Modeling and Computational Thinking

Science.gov (United States)

Sanford, John F.; Naidu, Jaideep T.

2017-01-01

The paper argues that mathematical modeling is the essence of computational thinking. Learning a computer language is a valuable assistance in learning logical thinking but of less assistance when learning problem-solving skills. The paper is third in a series and presents some examples of mathematical modeling using spreadsheets at an advanced…

Mathematical and computational modeling with applications in natural and social sciences, engineering, and the arts

CERN Document Server

Melnik, Roderick

2015-01-01

Illustrates the application of mathematical and computational modeling in a variety of disciplines With an emphasis on the interdisciplinary nature of mathematical and computational modeling, Mathematical and Computational Modeling: With Applications in the Natural and Social Sciences, Engineering, and the Arts features chapters written by well-known, international experts in these fields and presents readers with a host of state-of-the-art achievements in the development of mathematical modeling and computational experiment methodology. The book is a valuable guide to the methods, ideas,

Automated differentiation of computer models for sensitivity analysis

International Nuclear Information System (INIS)

Worley, B.A.

1990-01-01

Sensitivity analysis of reactor physics computer models is an established discipline after more than twenty years of active development of generalized perturbations theory based on direct and adjoint methods. Many reactor physics models have been enhanced to solve for sensitivities of model results to model data. The calculated sensitivities are usually normalized first derivatives although some codes are capable of solving for higher-order sensitivities. The purpose of this paper is to report on the development and application of the GRESS system for automating the implementation of the direct and adjoint techniques into existing FORTRAN computer codes. The GRESS system was developed at ORNL to eliminate the costly man-power intensive effort required to implement the direct and adjoint techniques into already-existing FORTRAN codes. GRESS has been successfully tested for a number of codes over a wide range of applications and presently operates on VAX machines under both VMS and UNIX operating systems

Automated differentiation of computer models for sensitivity analysis

International Nuclear Information System (INIS)

Worley, B.A.

1991-01-01

Sensitivity analysis of reactor physics computer models is an established discipline after more than twenty years of active development of generalized perturbations theory based on direct and adjoint methods. Many reactor physics models have been enhanced to solve for sensitivities of model results to model data. The calculated sensitivities are usually normalized first derivatives, although some codes are capable of solving for higher-order sensitivities. The purpose of this paper is to report on the development and application of the GRESS system for automating the implementation of the direct and adjoint techniques into existing FORTRAN computer codes. The GRESS system was developed at ORNL to eliminate the costly man-power intensive effort required to implement the direct and adjoint techniques into already-existing FORTRAN codes. GRESS has been successfully tested for a number of codes over a wide range of applications and presently operates on VAX machines under both VMS and UNIX operating systems. (author). 9 refs, 1 tab

Evaluation of kriging based surrogate models constructed from mesoscale computations of shock interaction with particles

Energy Technology Data Exchange (ETDEWEB)

Sen, Oishik, E-mail: oishik-sen@uiowa.edu [Mechanical and Industrial Engineering, The University of Iowa, Iowa City, IA 52242 (United States); Gaul, Nicholas J., E-mail: nicholas-gaul@ramdosolutions.com [RAMDO Solutions, LLC, Iowa City, IA 52240 (United States); Choi, K.K., E-mail: kyung-choi@uiowa.edu [Mechanical and Industrial Engineering, The University of Iowa, Iowa City, IA 52242 (United States); Jacobs, Gustaaf, E-mail: gjacobs@sdsu.edu [Aerospace Engineering, San Diego State University, San Diego, CA 92115 (United States); Udaykumar, H.S., E-mail: hs-kumar@uiowa.edu [Mechanical and Industrial Engineering, The University of Iowa, Iowa City, IA 52242 (United States)

2017-05-01

Macro-scale computations of shocked particulate flows require closure laws that model the exchange of momentum/energy between the fluid and particle phases. Closure laws are constructed in this work in the form of surrogate models derived from highly resolved mesoscale computations of shock-particle interactions. The mesoscale computations are performed to calculate the drag force on a cluster of particles for different values of Mach Number and particle volume fraction. Two Kriging-based methods, viz. the Dynamic Kriging Method (DKG) and the Modified Bayesian Kriging Method (MBKG) are evaluated for their ability to construct surrogate models with sparse data; i.e. using the least number of mesoscale simulations. It is shown that if the input data is noise-free, the DKG method converges monotonically; convergence is less robust in the presence of noise. The MBKG method converges monotonically even with noisy input data and is therefore more suitable for surrogate model construction from numerical experiments. This work is the first step towards a full multiscale modeling of interaction of shocked particle laden flows.

Model Selection in Historical Research Using Approximate Bayesian Computation

Science.gov (United States)

Rubio-Campillo, Xavier

2016-01-01

Formal Models and History Computational models are increasingly being used to study historical dynamics. This new trend, which could be named Model-Based History, makes use of recently published datasets and innovative quantitative methods to improve our understanding of past societies based on their written sources. The extensive use of formal models allows historians to re-evaluate hypotheses formulated decades ago and still subject to debate due to the lack of an adequate quantitative framework. The initiative has the potential to transform the discipline if it solves the challenges posed by the study of historical dynamics. These difficulties are based on the complexities of modelling social interaction, and the methodological issues raised by the evaluation of formal models against data with low sample size, high variance and strong fragmentation. Case Study This work examines an alternate approach to this evaluation based on a Bayesian-inspired model selection method. The validity of the classical Lanchester’s laws of combat is examined against a dataset comprising over a thousand battles spanning 300 years. Four variations of the basic equations are discussed, including the three most common formulations (linear, squared, and logarithmic) and a new variant introducing fatigue. Approximate Bayesian Computation is then used to infer both parameter values and model selection via Bayes Factors. Impact Results indicate decisive evidence favouring the new fatigue model. The interpretation of both parameter estimations and model selection provides new insights into the factors guiding the evolution of warfare. At a methodological level, the case study shows how model selection methods can be used to guide historical research through the comparison between existing hypotheses and empirical evidence. PMID:26730953

Computational methods for data evaluation and assimilation

CERN Document Server

Cacuci, Dan Gabriel

2013-01-01

Data evaluation and data combination require the use of a wide range of probability theory concepts and tools, from deductive statistics mainly concerning frequencies and sample tallies to inductive inference for assimilating non-frequency data and a priori knowledge. Computational Methods for Data Evaluation and Assimilation presents interdisciplinary methods for integrating experimental and computational information. This self-contained book shows how the methods can be applied in many scientific and engineering areas. After presenting the fundamentals underlying the evaluation of experiment

Parallel computation of multigroup reactivity coefficient using iterative method

Science.gov (United States)

Susmikanti, Mike; Dewayatna, Winter

2013-09-01

One of the research activities to support the commercial radioisotope production program is a safety research target irradiation FPM (Fission Product Molybdenum). FPM targets form a tube made of stainless steel in which the nuclear degrees of superimposed high-enriched uranium. FPM irradiation tube is intended to obtain fission. The fission material widely used in the form of kits in the world of nuclear medicine. Irradiation FPM tube reactor core would interfere with performance. One of the disorders comes from changes in flux or reactivity. It is necessary to study a method for calculating safety terrace ongoing configuration changes during the life of the reactor, making the code faster became an absolute necessity. Neutron safety margin for the research reactor can be reused without modification to the calculation of the reactivity of the reactor, so that is an advantage of using perturbation method. The criticality and flux in multigroup diffusion model was calculate at various irradiation positions in some uranium content. This model has a complex computation. Several parallel algorithms with iterative method have been developed for the sparse and big matrix solution. The Black-Red Gauss Seidel Iteration and the power iteration parallel method can be used to solve multigroup diffusion equation system and calculated the criticality and reactivity coeficient. This research was developed code for reactivity calculation which used one of safety analysis with parallel processing. It can be done more quickly and efficiently by utilizing the parallel processing in the multicore computer. This code was applied for the safety limits calculation of irradiated targets FPM with increment Uranium.

Constructing a Computer Model of the Human Eye Based on Tissue Slice Images

OpenAIRE

Dai, Peishan; Wang, Boliang; Bao, Chunbo; Ju, Ying

2010-01-01

Computer simulation of the biomechanical and biological heat transfer in ophthalmology greatly relies on having a reliable computer model of the human eye. This paper proposes a novel method on the construction of a geometric model of the human eye based on tissue slice images. Slice images were obtained from an in vitro Chinese human eye through an embryo specimen processing methods. A level set algorithm was used to extract contour points of eye tissues while a principle component analysi...

Taking dietary habits into account: A computational method for modeling food choices that goes beyond price.

Science.gov (United States)

Beheshti, Rahmatollah; Jones-Smith, Jessica C; Igusa, Takeru

2017-01-01

Computational models have gained popularity as a predictive tool for assessing proposed policy changes affecting dietary choice. Specifically, they have been used for modeling dietary changes in response to economic interventions, such as price and income changes. Herein, we present a novel addition to this type of model by incorporating habitual behaviors that drive individuals to maintain or conform to prior eating patterns. We examine our method in a simulated case study of food choice behaviors of low-income adults in the US. We use data from several national datasets, including the National Health and Nutrition Examination Survey (NHANES), the US Bureau of Labor Statistics and the USDA, to parameterize our model and develop predictive capabilities in 1) quantifying the influence of prior diet preferences when food budgets are increased and 2) simulating the income elasticities of demand for four food categories. Food budgets can increase because of greater affordability (due to food aid and other nutritional assistance programs), or because of higher income. Our model predictions indicate that low-income adults consume unhealthy diets when they have highly constrained budgets, but that even after budget constraints are relaxed, these unhealthy eating behaviors are maintained. Specifically, diets in this population, before and after changes in food budgets, are characterized by relatively low consumption of fruits and vegetables and high consumption of fat. The model results for income elasticities also show almost no change in consumption of fruit and fat in response to changes in income, which is in agreement with data from the World Bank's International Comparison Program (ICP). Hence, the proposed method can be used in assessing the influences of habitual dietary patterns on the effectiveness of food policies.

Taking dietary habits into account: A computational method for modeling food choices that goes beyond price.

Directory of Open Access Journals (Sweden)

Rahmatollah Beheshti

Full Text Available Computational models have gained popularity as a predictive tool for assessing proposed policy changes affecting dietary choice. Specifically, they have been used for modeling dietary changes in response to economic interventions, such as price and income changes. Herein, we present a novel addition to this type of model by incorporating habitual behaviors that drive individuals to maintain or conform to prior eating patterns. We examine our method in a simulated case study of food choice behaviors of low-income adults in the US. We use data from several national datasets, including the National Health and Nutrition Examination Survey (NHANES, the US Bureau of Labor Statistics and the USDA, to parameterize our model and develop predictive capabilities in 1 quantifying the influence of prior diet preferences when food budgets are increased and 2 simulating the income elasticities of demand for four food categories. Food budgets can increase because of greater affordability (due to food aid and other nutritional assistance programs, or because of higher income. Our model predictions indicate that low-income adults consume unhealthy diets when they have highly constrained budgets, but that even after budget constraints are relaxed, these unhealthy eating behaviors are maintained. Specifically, diets in this population, before and after changes in food budgets, are characterized by relatively low consumption of fruits and vegetables and high consumption of fat. The model results for income elasticities also show almost no change in consumption of fruit and fat in response to changes in income, which is in agreement with data from the World Bank's International Comparison Program (ICP. Hence, the proposed method can be used in assessing the influences of habitual dietary patterns on the effectiveness of food policies.

Computer-implemented security evaluation methods, security evaluation systems, and articles of manufacture

Science.gov (United States)

Muller, George; Perkins, Casey J.; Lancaster, Mary J.; MacDonald, Douglas G.; Clements, Samuel L.; Hutton, William J.; Patrick, Scott W.; Key, Bradley Robert

2015-07-28

Computer-implemented security evaluation methods, security evaluation systems, and articles of manufacture are described. According to one aspect, a computer-implemented security evaluation method includes accessing information regarding a physical architecture and a cyber architecture of a facility, building a model of the facility comprising a plurality of physical areas of the physical architecture, a plurality of cyber areas of the cyber architecture, and a plurality of pathways between the physical areas and the cyber areas, identifying a target within the facility, executing the model a plurality of times to simulate a plurality of attacks against the target by an adversary traversing at least one of the areas in the physical domain and at least one of the areas in the cyber domain, and using results of the executing, providing information regarding a security risk of the facility with respect to the target.

Advanced data analysis in neuroscience integrating statistical and computational models

CERN Document Server

Durstewitz, Daniel

2017-01-01

This book is intended for use in advanced graduate courses in statistics / machine learning, as well as for all experimental neuroscientists seeking to understand statistical methods at a deeper level, and theoretical neuroscientists with a limited background in statistics. It reviews almost all areas of applied statistics, from basic statistical estimation and test theory, linear and nonlinear approaches for regression and classification, to model selection and methods for dimensionality reduction, density estimation and unsupervised clustering.  Its focus, however, is linear and nonlinear time series analysis from a dynamical systems perspective, based on which it aims to convey an understanding also of the dynamical mechanisms that could have generated observed time series. Further, it integrates computational modeling of behavioral and neural dynamics with statistical estimation and hypothesis testing. This way computational models in neuroscience are not only explanat ory frameworks, but become powerfu...

LHCb computing model

CERN Document Server

Frank, M; Pacheco, Andreu

1998-01-01

This document is a first attempt to describe the LHCb computing model. The CPU power needed to process data for the event filter and reconstruction is estimated to be 2.2 \\Theta 106 MIPS. This will be installed at the experiment and will be reused during non data-taking periods for reprocessing. The maximal I/O of these activities is estimated to be around 40 MB/s.We have studied three basic models concerning the placement of the CPU resources for the other computing activities, Monte Carlo-simulation (1:4 \\Theta 106 MIPS) and physics analysis (0:5 \\Theta 106 MIPS): CPU resources may either be located at the physicist's homelab, national computer centres (Regional Centres) or at CERN.The CPU resources foreseen for analysis are sufficient to allow 100 concurrent analyses. It is assumed that physicists will work in physics groups that produce analysis data at an average rate of 4.2 MB/s or 11 TB per month. However, producing these group analysis data requires reading capabilities of 660 MB/s. It is further assu...

Mathematical model of accelerator output characteristics and their calculation on a computer

International Nuclear Information System (INIS)

Mishulina, O.A.; Ul'yanina, M.N.; Kornilova, T.V.

1975-01-01

A mathematical model is described of output characteristics of a linear accelerator. The model is a system of differential equations. Presence of phase limitations is a specific feature of setting the problem which makes it possible to ensure higher simulation accuracy and determine a capture coefficient. An algorithm is elaborated of computing output characteristics based upon the mathematical model suggested. A capture coefficient, coordinate expectation characterizing an average phase value of the beam particles, coordinate expectation characterizing an average value of the reverse relative velocity of the beam particles as well as dispersion of these coordinates are output characteristics of the accelerator. Calculation methods of the accelerator output characteristics are described in detail. The computations have been performed on the BESM-6 computer, the characteristics computing time being 2 min 20 sec. Relative error of parameter computation averages 10 -2

Approach to Computer Implementation of Mathematical Model of 3-Phase Induction Motor

Science.gov (United States)

Pustovetov, M. Yu

2018-03-01

This article discusses the development of the computer model of an induction motor based on the mathematical model in a three-phase stator reference frame. It uses an approach that allows combining during preparation of the computer model dual methods: means of visual programming circuitry (in the form of electrical schematics) and logical one (in the form of block diagrams). The approach enables easy integration of the model of an induction motor as part of more complex models of electrical complexes and systems. The developed computer model gives the user access to the beginning and the end of a winding of each of the three phases of the stator and rotor. This property is particularly important when considering the asymmetric modes of operation or when powered by the special circuitry of semiconductor converters.

Computer modeling of commercial refrigerated warehouse facilities

International Nuclear Information System (INIS)

Nicoulin, C.V.; Jacobs, P.C.; Tory, S.

1997-01-01

The use of computer models to simulate the energy performance of large commercial refrigeration systems typically found in food processing facilities is an area of engineering practice that has seen little development to date. Current techniques employed in predicting energy consumption by such systems have focused on temperature bin methods of analysis. Existing simulation tools such as DOE2 are designed to model commercial buildings and grocery store refrigeration systems. The HVAC and Refrigeration system performance models in these simulations tools model equipment common to commercial buildings and groceries, and respond to energy-efficiency measures likely to be applied to these building types. The applicability of traditional building energy simulation tools to model refrigerated warehouse performance and analyze energy-saving options is limited. The paper will present the results of modeling work undertaken to evaluate energy savings resulting from incentives offered by a California utility to its Refrigerated Warehouse Program participants. The TRNSYS general-purpose transient simulation model was used to predict facility performance and estimate program savings. Custom TRNSYS components were developed to address modeling issues specific to refrigerated warehouse systems, including warehouse loading door infiltration calculations, an evaporator model, single-state and multi-stage compressor models, evaporative condenser models, and defrost energy requirements. The main focus of the paper will be on the modeling approach. The results from the computer simulations, along with overall program impact evaluation results, will also be presented

40 CFR 194.23 - Models and computer codes.

Science.gov (United States)

2010-07-01

... 40 Protection of Environment 24 2010-07-01 2010-07-01 false Models and computer codes. 194.23... General Requirements § 194.23 Models and computer codes. (a) Any compliance application shall include: (1... obtain stable solutions; (iv) Computer models accurately implement the numerical models; i.e., computer...

A control method for agricultural greenhouses heating based on computational fluid dynamics and energy prediction model

International Nuclear Information System (INIS)

Chen, Jiaoliao; Xu, Fang; Tan, Dapeng; Shen, Zheng; Zhang, Libin; Ai, Qinglin

2015-01-01

Highlights: • A novel control method for the heating greenhouse with SWSHPS is proposed. • CFD is employed to predict the priorities of FCU loops for thermal performance. • EPM is act as an on-line tool to predict the total energy demand of greenhouse. • The CFD–EPM-based method can save energy and improve control accuracy. • The energy savings potential is between 8.7% and 15.1%. - Abstract: As energy heating is one of the main production costs, many efforts have been made to reduce the energy consumption of agricultural greenhouses. Herein, a novel control method of greenhouse heating using computational fluid dynamics (CFD) and energy prediction model (EPM) is proposed for energy savings and system performance. Based on the low-Reynolds number k–ε turbulence principle, a CFD model of heating greenhouse is developed, applying the discrete ordinates model for the radiative heat transfers and porous medium approach for plants considering plants sensible and latent heat exchanges. The CFD simulations have been validated, and used to analyze the greenhouse thermal performance and the priority of fan coil units (FCU) loops under the various heating conditions. According to the heating efficiency and temperature uniformity, the priorities of each FCU loop can be predicted to generate a database with priorities for control system. EPM is built up based on the thermal balance, and used to predict and optimize the energy demand of the greenhouse online. Combined with the priorities of FCU loops from CFD simulations offline, we have developed the CFD–EPM-based heating control system of greenhouse with surface water source heat pumps system (SWSHPS). Compared with conventional multi-zone independent control (CMIC) method, the energy savings potential is between 8.7% and 15.1%, and the control temperature deviation is decreased to between 0.1 °C and 0.6 °C in the investigated greenhouse. These results show the CFD–EPM-based method can improve system

Homogenized parameters of light water fuel elements computed by a perturbative (perturbation) method

International Nuclear Information System (INIS)

Koide, Maria da Conceicao Michiyo

2000-01-01

A new analytic formulation for material parameters homogenization of the two dimensional and two energy-groups diffusion model has been successfully used as a fast computational tool for recovering the detailed group fluxes in full reactor cores. The homogenization method which has been proposed does not require the solution of the diffusion problem by a numerical method. As it is generally recognized that currents at assembly boundaries must be computed accurately, a simple numerical procedure designed to improve the values of currents obtained by nodal calculations is also presented. (author)

Computer Anti-forensics Methods and their Impact on Computer Forensic Investigation

OpenAIRE

Pajek, Przemyslaw; Pimenidis, Elias

2009-01-01

Electronic crime is very difficult to investigate and prosecute, mainly\\ud due to the fact that investigators have to build their cases based on artefacts left\\ud on computer systems. Nowadays, computer criminals are aware of computer forensics\\ud methods and techniques and try to use countermeasure techniques to efficiently\\ud impede the investigation processes. In many cases investigation with\\ud such countermeasure techniques in place appears to be too expensive, or too\\ud time consuming t...

Numerical methods and modelling for engineering

CERN Document Server

Khoury, Richard

2016-01-01

This textbook provides a step-by-step approach to numerical methods in engineering modelling. The authors provide a consistent treatment of the topic, from the ground up, to reinforce for students that numerical methods are a set of mathematical modelling tools which allow engineers to represent real-world systems and compute features of these systems with a predictable error rate. Each method presented addresses a specific type of problem, namely root-finding, optimization, integral, derivative, initial value problem, or boundary value problem, and each one encompasses a set of algorithms to solve the problem given some information and to a known error bound. The authors demonstrate that after developing a proper model and understanding of the engineering situation they are working on, engineers can break down a model into a set of specific mathematical problems, and then implement the appropriate numerical methods to solve these problems. Uses a “building-block” approach, starting with simpler mathemati...

A New Energy-Based Method for 3-D Finite-Element Nonlinear Flux Linkage computation of Electrical Machines

DEFF Research Database (Denmark)

Lu, Kaiyuan; Rasmussen, Peter Omand; Ritchie, Ewen

2011-01-01

This paper presents a new method for computation of the nonlinear flux linkage in 3-D finite-element models (FEMs) of electrical machines. Accurate computation of the nonlinear flux linkage in 3-D FEM is not an easy task. Compared to the existing energy-perturbation method, the new technique......-perturbation method. The new method proposed is validated using experimental results on two different permanent magnet machines....

Modeling of tube current modulation methods in computed tomography dose calculations for adult and pregnant patients

International Nuclear Information System (INIS)

Caracappa, Peter F.; Xu, X. George; Gu, Jianwei

2011-01-01

The comparatively high dose and increasing frequency of computed tomography (CT) examinations have spurred the development of techniques for reducing radiation dose to imaging patients. Among these is the application of tube current modulation (TCM), which can be applied either longitudinally along the body or rotationally along the body, or both. Existing computational models for calculating dose from CT examinations do not include TCM techniques. Dose calculations using Monte Carlo methods have been previously prepared for constant-current rotational exposures at various positions along the body and for the principle exposure projections for several sets of computational phantoms, including adult male and female and pregnant patients. Dose calculations from CT scans with TCM are prepared by appropriately weighting the existing dose data. Longitudinal TCM doses can be obtained by weighting the dose at the z-axis scan position by the relative tube current at that position. Rotational TCM doses are weighted using the relative organ doses from the principle projections as a function of the current at the rotational angle. Significant dose reductions of 15% to 25% to fetal tissues are found from simulations of longitudinal TCM schemes to pregnant patients of different gestational ages. Weighting factors for each organ in rotational TCM schemes applied to adult male and female patients have also been found. As the application of TCM techniques becomes more prevalent, the need for including TCM in CT dose estimates will necessarily increase. (author)

Colour computer-generated holography for point clouds utilizing the Phong illumination model.

Science.gov (United States)

Symeonidou, Athanasia; Blinder, David; Schelkens, Peter

2018-04-16

A technique integrating the bidirectional reflectance distribution function (BRDF) is proposed to generate realistic high-quality colour computer-generated holograms (CGHs). We build on prior work, namely a fast computer-generated holography method for point clouds that handles occlusions. We extend the method by integrating the Phong illumination model so that the properties of the objects' surfaces are taken into account to achieve natural light phenomena such as reflections and shadows. Our experiments show that rendering holograms with the proposed algorithm provides realistic looking objects without any noteworthy increase to the computational cost.

Trust Models in Ubiquitous Computing

DEFF Research Database (Denmark)

Nielsen, Mogens; Krukow, Karl; Sassone, Vladimiro

2008-01-01

We recapture some of the arguments for trust-based technologies in ubiquitous computing, followed by a brief survey of some of the models of trust that have been introduced in this respect. Based on this, we argue for the need of more formal and foundational trust models.......We recapture some of the arguments for trust-based technologies in ubiquitous computing, followed by a brief survey of some of the models of trust that have been introduced in this respect. Based on this, we argue for the need of more formal and foundational trust models....

Using Computational and Mechanical Models to Study Animal Locomotion

Science.gov (United States)

Miller, Laura A.; Goldman, Daniel I.; Hedrick, Tyson L.; Tytell, Eric D.; Wang, Z. Jane; Yen, Jeannette; Alben, Silas

2012-01-01

Recent advances in computational methods have made realistic large-scale simulations of animal locomotion possible. This has resulted in numerous mathematical and computational studies of animal movement through fluids and over substrates with the purpose of better understanding organisms’ performance and improving the design of vehicles moving through air and water and on land. This work has also motivated the development of improved numerical methods and modeling techniques for animal locomotion that is characterized by the interactions of fluids, substrates, and structures. Despite the large body of recent work in this area, the application of mathematical and numerical methods to improve our understanding of organisms in the context of their environment and physiology has remained relatively unexplored. Nature has evolved a wide variety of fascinating mechanisms of locomotion that exploit the properties of complex materials and fluids, but only recently are the mathematical, computational, and robotic tools available to rigorously compare the relative advantages and disadvantages of different methods of locomotion in variable environments. Similarly, advances in computational physiology have only recently allowed investigators to explore how changes at the molecular, cellular, and tissue levels might lead to changes in performance at the organismal level. In this article, we highlight recent examples of how computational, mathematical, and experimental tools can be combined to ultimately answer the questions posed in one of the grand challenges in organismal biology: “Integrating living and physical systems.” PMID:22988026

Computer codes and methods for simulating accelerator driven systems

International Nuclear Information System (INIS)

Sartori, E.; Byung Chan Na

2003-01-01

A large set of computer codes and associated data libraries have been developed by nuclear research and industry over the past half century. A large number of them are in the public domain and can be obtained under agreed conditions from different Information Centres. The areas covered comprise: basic nuclear data and models, reactor spectra and cell calculations, static and dynamic reactor analysis, criticality, radiation shielding, dosimetry and material damage, fuel behaviour, safety and hazard analysis, heat conduction and fluid flow in reactor systems, spent fuel and waste management (handling, transportation, and storage), economics of fuel cycles, impact on the environment of nuclear activities etc. These codes and models have been developed mostly for critical systems used for research or power generation and other technological applications. Many of them have not been designed for accelerator driven systems (ADS), but with competent use, they can be used for studying such systems or can form the basis for adapting existing methods to the specific needs of ADS's. The present paper describes the types of methods, codes and associated data available and their role in the applications. It provides Web addresses for facilitating searches for such tools. Some indications are given on the effect of non appropriate or 'blind' use of existing tools to ADS. Reference is made to available experimental data that can be used for validating the methods use. Finally, some international activities linked to the different computational aspects are described briefly. (author)

Computation of transitional flow past a circular cylinder using multiblock lattice Boltzmann method with a dynamic subgrid scale model

International Nuclear Information System (INIS)

Premnath, Kannan N; Pattison, Martin J; Banerjee, Sanjoy

2013-01-01

Lattice Boltzmann method (LBM) is a kinetic based numerical scheme for the simulation of fluid flow. While the approach has attracted considerable attention during the last two decades, there is a need for systematic investigation of its applicability for complex canonical turbulent flow problems of engineering interest, where the nature of the numerical properties of the underlying scheme plays an important role for their accurate solution. In this paper, we discuss and evaluate a LBM based on a multiblock approach for efficient large eddy simulation of three-dimensional external flow past a circular cylinder in the transitional regime characterized by the presence of multiple scales. For enhanced numerical stability at higher Reynolds numbers, a multiple relaxation time formulation is considered. The effect of subgrid scales is represented by means of a Smagorinsky eddy-viscosity model, where the model coefficient is computed locally by means of a dynamic procedure, providing better representation of flow physics with reduced empiricism. Simulations are performed for a Reynolds number of 3900 based on the free stream velocity and cylinder diameter for which prior data is available for comparison. The presence of laminar boundary layer which separates into a pair of shear layers that evolve into turbulent wakes impose particular challenge for numerical methods for this condition. The relatively low numerical dissipation introduced by the inherently parallel and second-order accurate LBM is an important computational asset in this regard. Computations using five different grid levels, where the various blocks are suitably aligned to resolve multiscale flow features show that the structure of the recirculation region is well reproduced and the statistics of the mean flow and turbulent fluctuations are in satisfactory agreement with prior data. (paper)

Computation of transitional flow past a circular cylinder using multiblock lattice Boltzmann method with a dynamic subgrid scale model

Energy Technology Data Exchange (ETDEWEB)

Premnath, Kannan N [Department of Mechanical Engineering, University of Colorado Denver, 1200 Larimer Street, Denver, CO 80217 (United States); Pattison, Martin J [HyPerComp Inc., 2629 Townsgate Road, Suite 105, Westlake Village, CA 91361 (United States); Banerjee, Sanjoy, E-mail: kannan.premnath@ucdenver.edu, E-mail: kannan.np@gmail.com [Department of Chemical Engineering, City College of New York, City University of New York, New York, NY 10031 (United States)

2013-10-15

Lattice Boltzmann method (LBM) is a kinetic based numerical scheme for the simulation of fluid flow. While the approach has attracted considerable attention during the last two decades, there is a need for systematic investigation of its applicability for complex canonical turbulent flow problems of engineering interest, where the nature of the numerical properties of the underlying scheme plays an important role for their accurate solution. In this paper, we discuss and evaluate a LBM based on a multiblock approach for efficient large eddy simulation of three-dimensional external flow past a circular cylinder in the transitional regime characterized by the presence of multiple scales. For enhanced numerical stability at higher Reynolds numbers, a multiple relaxation time formulation is considered. The effect of subgrid scales is represented by means of a Smagorinsky eddy-viscosity model, where the model coefficient is computed locally by means of a dynamic procedure, providing better representation of flow physics with reduced empiricism. Simulations are performed for a Reynolds number of 3900 based on the free stream velocity and cylinder diameter for which prior data is available for comparison. The presence of laminar boundary layer which separates into a pair of shear layers that evolve into turbulent wakes impose particular challenge for numerical methods for this condition. The relatively low numerical dissipation introduced by the inherently parallel and second-order accurate LBM is an important computational asset in this regard. Computations using five different grid levels, where the various blocks are suitably aligned to resolve multiscale flow features show that the structure of the recirculation region is well reproduced and the statistics of the mean flow and turbulent fluctuations are in satisfactory agreement with prior data. (paper)

A Fuzzy Computing Model for Identifying Polarity of Chinese Sentiment Words

Directory of Open Access Journals (Sweden)

Bingkun Wang

2015-01-01

Full Text Available With the spurt of online user-generated contents on web, sentiment analysis has become a very active research issue in data mining and natural language processing. As the most important indicator of sentiment, sentiment words which convey positive and negative polarity are quite instrumental for sentiment analysis. However, most of the existing methods for identifying polarity of sentiment words only consider the positive and negative polarity by the Cantor set, and no attention is paid to the fuzziness of the polarity intensity of sentiment words. In order to improve the performance, we propose a fuzzy computing model to identify the polarity of Chinese sentiment words in this paper. There are three major contributions in this paper. Firstly, we propose a method to compute polarity intensity of sentiment morphemes and sentiment words. Secondly, we construct a fuzzy sentiment classifier and propose two different methods to compute the parameter of the fuzzy classifier. Thirdly, we conduct extensive experiments on four sentiment words datasets and three review datasets, and the experimental results indicate that our model performs better than the state-of-the-art methods.

A Fuzzy Computing Model for Identifying Polarity of Chinese Sentiment Words

Science.gov (United States)

Huang, Yongfeng; Wu, Xian; Li, Xing

2015-01-01

With the spurt of online user-generated contents on web, sentiment analysis has become a very active research issue in data mining and natural language processing. As the most important indicator of sentiment, sentiment words which convey positive and negative polarity are quite instrumental for sentiment analysis. However, most of the existing methods for identifying polarity of sentiment words only consider the positive and negative polarity by the Cantor set, and no attention is paid to the fuzziness of the polarity intensity of sentiment words. In order to improve the performance, we propose a fuzzy computing model to identify the polarity of Chinese sentiment words in this paper. There are three major contributions in this paper. Firstly, we propose a method to compute polarity intensity of sentiment morphemes and sentiment words. Secondly, we construct a fuzzy sentiment classifier and propose two different methods to compute the parameter of the fuzzy classifier. Thirdly, we conduct extensive experiments on four sentiment words datasets and three review datasets, and the experimental results indicate that our model performs better than the state-of-the-art methods. PMID:26106409

Computational and instrumental methods in EPR