Computer-Aided Modelling Methods and Tools
DEFF Research Database (Denmark)
Cameron, Ian; Gani, Rafiqul
2011-01-01
The development of models for a range of applications requires methods and tools. In many cases a reference model is required that allows the generation of application specific models that are fit for purpose. There are a range of computer aided modelling tools available that help to define the m...
Method of generating a computer readable model
DEFF Research Database (Denmark)
2008-01-01
A method of generating a computer readable model of a geometrical object constructed from a plurality of interconnectable construction elements, wherein each construction element has a number of connection elements for connecting the construction element with another construction element. The met......A method of generating a computer readable model of a geometrical object constructed from a plurality of interconnectable construction elements, wherein each construction element has a number of connection elements for connecting the construction element with another construction element....... The method comprises encoding a first and a second one of the construction elements as corresponding data structures, each representing the connection elements of the corresponding construction element, and each of the connection elements having associated with it a predetermined connection type. The method...... further comprises determining a first connection element of the first construction element and a second connection element of the second construction element located in a predetermined proximity of each other; and retrieving connectivity information of the corresponding connection types of the first...
Methods for teaching geometric modelling and computer graphics
Energy Technology Data Exchange (ETDEWEB)
Rotkov, S.I.; Faitel`son, Yu. Ts.
1992-05-01
This paper considers methods for teaching the methods and algorithms of geometric modelling and computer graphics to programmers, designers and users of CAD and computer-aided research systems. There is a bibliography that can be used to prepare lectures and practical classes. 37 refs., 1 tab.
SmartShadow models and methods for pervasive computing
Wu, Zhaohui
2013-01-01
SmartShadow: Models and Methods for Pervasive Computing offers a new perspective on pervasive computing with SmartShadow, which is designed to model a user as a personality ""shadow"" and to model pervasive computing environments as user-centric dynamic virtual personal spaces. Just like human beings' shadows in the physical world, it follows people wherever they go, providing them with pervasive services. The model, methods, and software infrastructure for SmartShadow are presented and an application for smart cars is also introduced. The book can serve as a valuable reference work for resea
Reduced order methods for modeling and computational reduction
Rozza, Gianluigi
2014-01-01
This monograph addresses the state of the art of reduced order methods for modeling and computational reduction of complex parametrized systems, governed by ordinary and/or partial differential equations, with a special emphasis on real time computing techniques and applications in computational mechanics, bioengineering and computer graphics. Several topics are covered, including: design, optimization, and control theory in real-time with applications in engineering; data assimilation, geometry registration, and parameter estimation with special attention to real-time computing in biomedical engineering and computational physics; real-time visualization of physics-based simulations in computer science; the treatment of high-dimensional problems in state space, physical space, or parameter space; the interactions between different model reduction and dimensionality reduction approaches; the development of general error estimation frameworks which take into account both model and discretization effects. This...
Computational mathematics models, methods, and analysis with Matlab and MPI
White, Robert E
2004-01-01
Computational Mathematics: Models, Methods, and Analysis with MATLAB and MPI explores and illustrates this process. Each section of the first six chapters is motivated by a specific application. The author applies a model, selects a numerical method, implements computer simulations, and assesses the ensuing results. These chapters include an abundance of MATLAB code. By studying the code instead of using it as a "black box, " you take the first step toward more sophisticated numerical modeling. The last four chapters focus on multiprocessing algorithms implemented using message passing interface (MPI). These chapters include Fortran 9x codes that illustrate the basic MPI subroutines and revisit the applications of the previous chapters from a parallel implementation perspective. All of the codes are available for download from www4.ncsu.edu./~white.This book is not just about math, not just about computing, and not just about applications, but about all three--in other words, computational science. Whether us...
Computational Methods for Modeling Aptamers and Designing Riboswitches
Directory of Open Access Journals (Sweden)
Sha Gong
2017-11-01
Full Text Available Riboswitches, which are located within certain noncoding RNA region perform functions as genetic “switches”, regulating when and where genes are expressed in response to certain ligands. Understanding the numerous functions of riboswitches requires computation models to predict structures and structural changes of the aptamer domains. Although aptamers often form a complex structure, computational approaches, such as RNAComposer and Rosetta, have already been applied to model the tertiary (three-dimensional (3D structure for several aptamers. As structural changes in aptamers must be achieved within the certain time window for effective regulation, kinetics is another key point for understanding aptamer function in riboswitch-mediated gene regulation. The coarse-grained self-organized polymer (SOP model using Langevin dynamics simulation has been successfully developed to investigate folding kinetics of aptamers, while their co-transcriptional folding kinetics can be modeled by the helix-based computational method and BarMap approach. Based on the known aptamers, the web server Riboswitch Calculator and other theoretical methods provide a new tool to design synthetic riboswitches. This review will represent an overview of these computational methods for modeling structure and kinetics of riboswitch aptamers and for designing riboswitches.
Regression modeling methods, theory, and computation with SAS
Panik, Michael
2009-01-01
Regression Modeling: Methods, Theory, and Computation with SAS provides an introduction to a diverse assortment of regression techniques using SAS to solve a wide variety of regression problems. The author fully documents the SAS programs and thoroughly explains the output produced by the programs.The text presents the popular ordinary least squares (OLS) approach before introducing many alternative regression methods. It covers nonparametric regression, logistic regression (including Poisson regression), Bayesian regression, robust regression, fuzzy regression, random coefficients regression,
Complex Data Modeling and Computationally Intensive Statistical Methods
Mantovan, Pietro
2010-01-01
The last years have seen the advent and development of many devices able to record and store an always increasing amount of complex and high dimensional data; 3D images generated by medical scanners or satellite remote sensing, DNA microarrays, real time financial data, system control datasets. The analysis of this data poses new challenging problems and requires the development of novel statistical models and computational methods, fueling many fascinating and fast growing research areas of modern statistics. The book offers a wide variety of statistical methods and is addressed to statistici
Mathematical modellings and computational methods for structural analysis of LMFBR's
International Nuclear Information System (INIS)
Liu, W.K.; Lam, D.
1983-01-01
In this paper, two aspects of nuclear reactor problems are discussed, modelling techniques and computational methods for large scale linear and nonlinear analyses of LMFBRs. For nonlinear fluid-structure interaction problem with large deformation, arbitrary Lagrangian-Eulerian description is applicable. For certain linear fluid-structure interaction problem, the structural response spectrum can be found via 'added mass' approach. In a sense, the fluid inertia is accounted by a mass matrix added to the structural mass. The fluid/structural modes of certain fluid-structure problem can be uncoupled to get the reduced added mass. The advantage of this approach is that it can account for the many repeated structures of nuclear reactor. In regard to nonlinear dynamic problem, the coupled nonlinear fluid-structure equations usually have to be solved by direct time integration. The computation can be very expensive and time consuming for nonlinear problems. Thus, it is desirable to optimize the accuracy and computation effort by using implicit-explicit mixed time integration method. (orig.)
Overview of Computer Simulation Modeling Approaches and Methods
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...
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)
Computational methods for structural load and resistance modeling
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.
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....
A Parameter Estimation Method for Dynamic Computational Cognitive Models
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
Methodical Approaches to Teaching of Computer Modeling in Computer Science Course
Rakhimzhanova, B. Lyazzat; Issabayeva, N. Darazha; Khakimova, Tiyshtik; Bolyskhanova, J. Madina
2015-01-01
The purpose of this study was to justify of the formation technique of representation of modeling methodology at computer science lessons. The necessity of studying computer modeling is that the current trends of strengthening of general education and worldview functions of computer science define the necessity of additional research of the…
Modelling of elementary computer operations using the intellect method
Energy Technology Data Exchange (ETDEWEB)
Shabanov-kushnarenko, Yu P
1982-01-01
The formal and apparatus intellect theory is used to describe functions of machine intelligence. A mathematical description is proposed as well as a machine realisation as switched networks of some simple computer operations. 5 references.
Directory of Open Access Journals (Sweden)
Ling Kang
2017-03-01
Full Text Available Compared to the hydrostatic hydrodynamic model, the non-hydrostatic hydrodynamic model can accurately simulate flows that feature vertical accelerations. The model’s low computational efficiency severely restricts its wider application. This paper proposes a non-hydrostatic hydrodynamic model based on a multithreading parallel computing method. The horizontal momentum equation is obtained by integrating the Navier–Stokes equations from the bottom to the free surface. The vertical momentum equation is approximated by the Keller-box scheme. A two-step method is used to solve the model equations. A parallel strategy based on block decomposition computation is utilized. The original computational domain is subdivided into two subdomains that are physically connected via a virtual boundary technique. Two sub-threads are created and tasked with the computation of the two subdomains. The producer–consumer model and the thread lock technique are used to achieve synchronous communication between sub-threads. The validity of the model was verified by solitary wave propagation experiments over a flat bottom and slope, followed by two sinusoidal wave propagation experiments over submerged breakwater. The parallel computing method proposed here was found to effectively enhance computational efficiency and save 20%–40% computation time compared to serial computing. The parallel acceleration rate and acceleration efficiency are approximately 1.45% and 72%, respectively. The parallel computing method makes a contribution to the popularization of non-hydrostatic models.
An affective music player: Methods and models for physiological computing
Janssen, J.H.; Westerink, J.H.D.M.; van den Broek, Egon
2009-01-01
Affective computing is embraced by many to create more intelligent systems and smart environments. In this thesis, a specific affective application is envisioned: an affective physiological music player (APMP), which should be able to direct its user's mood. In a first study, the relationship
Computational methods for constructing protein structure models from 3D electron microscopy maps.
Esquivel-Rodríguez, Juan; Kihara, Daisuke
2013-10-01
Protein structure determination by cryo-electron microscopy (EM) has made significant progress in the past decades. Resolutions of EM maps have been improving as evidenced by recently reported structures that are solved at high resolutions close to 3Å. Computational methods play a key role in interpreting EM data. Among many computational procedures applied to an EM map to obtain protein structure information, in this article we focus on reviewing computational methods that model protein three-dimensional (3D) structures from a 3D EM density map that is constructed from two-dimensional (2D) maps. The computational methods we discuss range from de novo methods, which identify structural elements in an EM map, to structure fitting methods, where known high resolution structures are fit into a low-resolution EM map. A list of available computational tools is also provided. Copyright © 2013 Elsevier Inc. All rights reserved.
Parallel computing of a climate model on the dawn 1000 by domain decomposition method
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.
On a computational method for modelling complex ecosystems by superposition procedure
International Nuclear Information System (INIS)
He Shanyu.
1986-12-01
In this paper, the Superposition Procedure is concisely described, and a computational method for modelling a complex ecosystem is proposed. With this method, the information contained in acceptable submodels and observed data can be utilized to maximal degree. (author). 1 ref
International Nuclear Information System (INIS)
Wu, Qiong-Li; Cournède, Paul-Henry; Mathieu, Amélie
2012-01-01
Global sensitivity analysis has a key role to play in the design and parameterisation of functional–structural plant growth models which combine the description of plant structural development (organogenesis and geometry) and functional growth (biomass accumulation and allocation). We are particularly interested in this study in Sobol's method which decomposes the variance of the output of interest into terms due to individual parameters but also to interactions between parameters. Such information is crucial for systems with potentially high levels of non-linearity and interactions between processes, like plant growth. However, the computation of Sobol's indices relies on Monte Carlo sampling and re-sampling, whose costs can be very high, especially when model evaluation is also expensive, as for tree models. In this paper, we thus propose a new method to compute Sobol's indices inspired by Homma–Saltelli, which improves slightly their use of model evaluations, and then derive for this generic type of computational methods an estimator of the error estimation of sensitivity indices with respect to the sampling size. It allows the detailed control of the balance between accuracy and computing time. Numerical tests on a simple non-linear model are convincing and the method is finally applied to a functional–structural model of tree growth, GreenLab, whose particularity is the strong level of interaction between plant functioning and organogenesis. - Highlights: ► We study global sensitivity analysis in the context of functional–structural plant modelling. ► A new estimator based on Homma–Saltelli method is proposed to compute Sobol indices, based on a more balanced re-sampling strategy. ► The estimation accuracy of sensitivity indices for a class of Sobol's estimators can be controlled by error analysis. ► The proposed algorithm is implemented efficiently to compute Sobol indices for a complex tree growth model.
A New Computationally Frugal Method For Sensitivity Analysis Of Environmental Models
Rakovec, O.; Hill, M. C.; Clark, M. P.; Weerts, A.; Teuling, R.; Borgonovo, E.; Uijlenhoet, R.
2013-12-01
Effective and efficient parameter sensitivity analysis methods are crucial to understand the behaviour of complex environmental models and use of models in risk assessment. This paper proposes a new computationally frugal method for analyzing parameter sensitivity: the Distributed Evaluation of Local Sensitivity Analysis (DELSA). The DELSA method can be considered a hybrid of local and global methods, and focuses explicitly on multiscale evaluation of parameter sensitivity across the parameter space. Results of the DELSA method are compared with the popular global, variance-based Sobol' method and the delta method. We assess the parameter sensitivity of both (1) a simple non-linear reservoir model with only two parameters, and (2) five different "bucket-style" hydrologic models applied to a medium-sized catchment (200 km2) in the Belgian Ardennes. Results show that in both the synthetic and real-world examples, the global Sobol' method and the DELSA method provide similar sensitivities, with the DELSA method providing more detailed insight at much lower computational cost. The ability to understand how sensitivity measures vary through parameter space with modest computational requirements provides exciting new opportunities.
Complex data modeling and computationally intensive methods for estimation and prediction
Secchi, Piercesare; Advances in Complex Data Modeling and Computational Methods in Statistics
2015-01-01
The book is addressed to statisticians working at the forefront of the statistical analysis of complex and high dimensional data and offers a wide variety of statistical models, computer intensive methods and applications: network inference from the analysis of high dimensional data; new developments for bootstrapping complex data; regression analysis for measuring the downsize reputational risk; statistical methods for research on the human genome dynamics; inference in non-euclidean settings and for shape data; Bayesian methods for reliability and the analysis of complex data; methodological issues in using administrative data for clinical and epidemiological research; regression models with differential regularization; geostatistical methods for mobility analysis through mobile phone data exploration. This volume is the result of a careful selection among the contributions presented at the conference "S.Co.2013: Complex data modeling and computationally intensive methods for estimation and prediction" held...
AI/OR computational model for integrating qualitative and quantitative design methods
Agogino, Alice M.; Bradley, Stephen R.; Cagan, Jonathan; Jain, Pramod; Michelena, Nestor
1990-01-01
A theoretical framework for integrating qualitative and numerical computational methods for optimally-directed design is described. The theory is presented as a computational model and features of implementations are summarized where appropriate. To demonstrate the versatility of the methodology we focus on four seemingly disparate aspects of the design process and their interaction: (1) conceptual design, (2) qualitative optimal design, (3) design innovation, and (4) numerical global optimization.
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.
Multi-chain Markov chain Monte Carlo methods for computationally expensive models
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.
Deterministic methods for sensitivity and uncertainty analysis in large-scale computer models
International Nuclear Information System (INIS)
Worley, B.A.; Oblow, E.M.; Pin, F.G.; Maerker, R.E.; Horwedel, J.E.; Wright, R.Q.; Lucius, J.L.
1987-01-01
The fields of sensitivity and uncertainty analysis are dominated by statistical techniques when large-scale modeling codes are being analyzed. 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. 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. The paper demonstrates the deterministic approach to sensitivity and uncertainty analysis as applied to a sample problem that models the flow of water through a borehole. The sample problem is used as a basis to compare the cumulative distribution function of the flow rate as calculated by the standard statistical methods and the DUA method. The DUA method gives a more accurate result based upon only two model executions compared to fifty executions in the statistical case
Essential numerical computer methods
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 ...
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.
Computational modeling of local hemodynamics phenomena: methods, tools and clinical applications
International Nuclear Information System (INIS)
Ponzini, R.; Rizzo, G.; Vergara, C.; Veneziani, A.; Morbiducci, U.; Montevecchi, F.M.; Redaelli, A.
2009-01-01
Local hemodynamics plays a key role in the onset of vessel wall pathophysiology, with peculiar blood flow structures (i.e. spatial velocity profiles, vortices, re-circulating zones, helical patterns and so on) characterizing the behavior of specific vascular districts. Thanks to the evolving technologies on computer sciences, mathematical modeling and hardware performances, the study of local hemodynamics can today afford also the use of a virtual environment to perform hypothesis testing, product development, protocol design and methods validation that just a couple of decades ago would have not been thinkable. Computational fluid dynamics (Cfd) appears to be more than a complementary partner to in vitro modeling and a possible substitute to animal models, furnishing a privileged environment for cheap fast and reproducible data generation.
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 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
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
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.
Industrial applications of formal methods to model, design and analyze computer systems
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
A method of computer aided design with self-generative models in NX Siemens environment
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
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.
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)
Stochastic processes, multiscale modeling, and numerical methods for computational cellular biology
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...
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.
A general method for generating bathymetric data for hydrodynamic computer models
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)
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.
Numerical computer methods part D
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.
PREFACE: Euro-TMCS I: Theory, Modelling and Computational Methods for Semiconductors
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
Computational Modeling | Bioenergy | NREL
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
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)
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.
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.
Ex Vivo Methods for Informing Computational Models of the Mitral Valve
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...
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.
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.
Ibeid, Huda; Yokota, Rio; Keyes, David E.
2016-01-01
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
Water System Adaptation To Hydrological Changes: Module 11, Methods and Tools: Computational Models
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...
PREFACE: 3rd Workshop on Theory, Modelling and Computational Methods for Semiconductors (TMCSIII)
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
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
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
PREFACE: 4th Workshop on Theory, Modelling and Computational Methods for Semiconductors (TMCSIV)
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
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
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
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.
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.
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)
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
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...
Computational methods for a three-dimensional model of the petroleum-discovery process
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.
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.
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.)
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...
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.
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.
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.
International Nuclear Information System (INIS)
Yamada, Susumu; Igarashi, Ryo; Machida, Masahiko; Imamura, Toshiyuki; Okumura, Masahiko; Onishi, Hiroaki
2010-01-01
We parallelize the density matrix renormalization group (DMRG) method, which is a ground-state solver for one-dimensional quantum lattice systems. The parallelization allows us to extend the applicable range of the DMRG to n-leg ladders i.e., quasi two-dimension cases. Such an extension is regarded to bring about several breakthroughs in e.g., quantum-physics, chemistry, and nano-engineering. However, the straightforward parallelization requires all-to-all communications between all processes which are unsuitable for multi-core systems, which is a mainstream of current parallel computers. Therefore, we optimize the all-to-all communications by the following two steps. The first one is the elimination of the communications between all processes by only rearranging data distribution with the communication data amount kept. The second one is the avoidance of the communication conflict by rescheduling the calculation and the communication. We evaluate the performance of the DMRG method on multi-core supercomputers and confirm that our two-steps tuning is quite effective. (author)
Numerical computer methods part E
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.
Computer-Aided Design Methods for Model-Based Nonlinear Engine Control Systems, Phase I
National Aeronautics and Space Administration — Traditional design methods for aircraft turbine engine control systems have relied on the use of linearized models and linear control theory. While these controllers...
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)
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.
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).
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.
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
Computational neurogenetic modeling
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
Physical models and numerical methods of the reactor dynamic computer program RETRAN
International Nuclear Information System (INIS)
Kamelander, G.; Woloch, F.; Sdouz, G.; Koinig, H.
1984-03-01
This report describes the physical models and the numerical methods of the reactor dynamic code RETRAN simulating reactivity transients in Light-Water-Reactors. The neutron-physical part of RETRAN bases on the two-group-diffusion equations which are solved by discretization similar to the TWIGL-method. An exponential transformation is applied and the inner iterations are accelerated by a coarse-mesh-rebalancing procedure. The thermo-hydraulic model approximates the equation of state by a built-in steam-water-table and disposes of options for the calculation of heat-conduction coefficients and heat transfer coefficients. (Author) [de
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.
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.
Computational Modeling of Proteins based on Cellular Automata: A Method of HP Folding Approximation.
Madain, Alia; Abu Dalhoum, Abdel Latif; Sleit, Azzam
2018-06-01
The design of a protein folding approximation algorithm is not straightforward even when a simplified model is used. The folding problem is a combinatorial problem, where approximation and heuristic algorithms are usually used to find near optimal folds of proteins primary structures. Approximation algorithms provide guarantees on the distance to the optimal solution. The folding approximation approach proposed here depends on two-dimensional cellular automata to fold proteins presented in a well-studied simplified model called the hydrophobic-hydrophilic model. Cellular automata are discrete computational models that rely on local rules to produce some overall global behavior. One-third and one-fourth approximation algorithms choose a subset of the hydrophobic amino acids to form H-H contacts. Those algorithms start with finding a point to fold the protein sequence into two sides where one side ignores H's at even positions and the other side ignores H's at odd positions. In addition, blocks or groups of amino acids fold the same way according to a predefined normal form. We intend to improve approximation algorithms by considering all hydrophobic amino acids and folding based on the local neighborhood instead of using normal forms. The CA does not assume a fixed folding point. The proposed approach guarantees one half approximation minus the H-H endpoints. This lower bound guaranteed applies to short sequences only. This is proved as the core and the folds of the protein will have two identical sides for all short sequences.
This paper assesses the impact of different likelihood functions in identifying sensitive parameters of the highly parameterized, spatially distributed Soil and Water Assessment Tool (SWAT) watershed model for multiple variables at multiple sites. The global one-factor-at-a-time (OAT) method of Morr...
Practical methods to define scattering coefficients in a room acoustics computer model
DEFF Research Database (Denmark)
Zeng, Xiangyang; Christensen, Claus Lynge; Rindel, Jens Holger
2006-01-01
of obtaining the data becomes quite time consuming thus increasing the cost of design. In this paper, practical methods to define scattering coefficients, which is based on an approach of modeling surface scattering and scattering caused by limited size of surface as well as edge diffraction are presented...
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.
Glossiness of Colored Papers based on Computer Graphics Model and Its Measuring Method
Aida, Teizo
In the case of colored papers, the color of surface effects strongly upon the gloss of its paper. The new glossiness for such a colored paper is suggested in this paper. First, using the Achromatic and Chromatic Munsell colored chips, the author obtained experimental equation which represents the relation between lightness V ( or V and saturation C ) and psychological glossiness Gph of these chips. Then, the author defined a new glossiness G for the colored papers, based on the above mentioned experimental equations Gph and Cook-Torrance's reflection model which are widely used in the filed of Computer Graphics. This new glossiness is shown to be nearly proportional to the psychological glossiness Gph. The measuring system for the new glossiness G is furthermore descrived. The measuring time for one specimen is within 1 minute.
Pisano, Aurora; Weichert, Dieter
2015-01-01
Articles in this book examine various materials and how to determine directly the limit state of a structure, in the sense of limit analysis and shakedown analysis. Apart from classical applications in mechanical and civil engineering contexts, the book reports on the emerging field of material design beyond the elastic limit, which has further industrial design and technological applications. Readers will discover that “Direct Methods” and the techniques presented here can in fact be used to numerically estimate the strength of structured materials such as composites or nano-materials, which represent fruitful fields of future applications. Leading researchers outline the latest computational tools and optimization techniques and explore the possibility of obtaining information on the limit state of a structure whose post-elastic loading path and constitutive behavior are not well defined or well known. Readers will discover how Direct Methods allow rapid and direct access to requested information in...
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.
Geisbert, Jesse Stuart
2007-01-01
Buoyancy driven underwater gliders, which locomote by modulating their buoyancy and their attitude with moving mass actuators and inflatable bladders, are proving their worth as efficient long-distance, long-duration ocean sampling platforms. Gliders have the capability to travel thousands of kilometers without a need to stop or recharge. There is a need for the development of methods for hydrodynamic modeling. This thesis aims to determine the hydrodynamic parameters for the governing equat...
Computing Nash equilibria through computational intelligence methods
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.
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...
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
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.
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.
Method for computed tomography
International Nuclear Information System (INIS)
Wagner, W.
1980-01-01
In transversal computer tomography apparatus, in which the positioning zone in which the patient can be positioned is larger than the scanning zone in which a body slice can be scanned, reconstruction errors are liable to occur. These errors are caused by incomplete irradiation of the body during examination. They become manifest not only as an incorrect image of the area not irradiated, but also have an adverse effect on the image of the other, completely irradiated areas. The invention enables reduction of these errors
Computational models of neuromodulation.
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.
Computational methods working group
International Nuclear Information System (INIS)
Gabriel, T.A.
1997-09-01
During the Cold Moderator Workshop several working groups were established including one to discuss calculational methods. The charge for this working group was to identify problems in theory, data, program execution, etc., and to suggest solutions considering both deterministic and stochastic methods including acceleration procedures.
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....
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
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.
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.
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.
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.
Computational modeling in biomechanics
Mofrad, Mohammad
2010-01-01
This book provides a glimpse of the diverse and important roles that modern computational technology is playing in various areas of biomechanics. It includes unique chapters on ab initio quantum mechanical, molecular dynamic and scale coupling methods..
Electromagnetic field computation by network methods
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 in Medicine
Directory of Open Access Journals (Sweden)
Angel Garrido
2010-01-01
Full Text Available Artificial Intelligence requires Logic. But its Classical version shows too many insufficiencies. So, it is absolutely necessary to introduce more sophisticated tools, such as Fuzzy Logic, Modal Logic, Non-Monotonic Logic, and so on [2]. Among the things that AI needs to represent are Categories, Objects, Properties, Relations between objects, Situations, States, Time, Events, Causes and effects, Knowledge about knowledge, and so on. The problems in AI can be classified in two general types
[3, 4], Search Problems and Representation Problem. There exist different ways to reach this objective. So, we have [3] Logics, Rules, Frames, Associative Nets, Scripts and so on, that are often interconnected. Also, it will be very useful, in dealing with problems of uncertainty and causality, to introduce Bayesian Networks and particularly, a principal tool as the Essential Graph. We attempt here to show the scope of application of such versatile methods, currently fundamental in Medicine.
Keedy, Alexander W; Durack, Jeremy C; Sandhu, Parmbir; Chen, Eric M; O'Sullivan, Patricia S; Breiman, Richard S
2011-01-01
This study was designed to determine whether an interactive three-dimensional presentation depicting liver and biliary anatomy is more effective for teaching medical students than a traditional textbook format presentation of the same material. Forty-six medical students volunteered for participation in this study. Baseline demographic information, spatial ability, and knowledge of relevant anatomy were measured. Participants were randomized into two groups and presented with a computer-based interactive learning module comprised of animations and still images to highlight various anatomical structures (3D group), or a computer-based text document containing the same images and text without animation or interactive features (2D group). Following each teaching module, students completed a satisfaction survey and nine-item anatomic knowledge post-test. The 3D group scored higher on the post-test than the 2D group, with a mean score of 74% and 64%, respectively; however, when baseline differences in pretest scores were accounted for, this difference was not statistically significant (P = 0.33). Spatial ability did not statistically significantly correlate with post-test scores for the 3D group or the 2D group. In the post-test satisfaction survey the 3D group expressed a statistically significantly higher overall satisfaction rating compared to students in the 2D control group (4.5 versus 3.7 out of 5, P = 0.02). While the interactive 3D multimedia module received higher satisfaction ratings from students, it neither enhanced nor inhibited learning of complex hepatobiliary anatomy compared to an informationally equivalent traditional textbook style approach. . Copyright © 2011 American Association of Anatomists.
International Nuclear Information System (INIS)
Rector, D.R.; Wheeler, C.L.; Lombardo, N.J.
1986-11-01
COBRA-SFS (Spent Fuel Storage) is a general thermal-hydraulic analysis computer code used to predict temperatures and velocities in a wide variety of systems. The code was refined and specialized for spent fuel storage system analyses for the US Department of Energy's Commercial Spent Fuel Management Program. The finite-volume equations governing mass, momentum, and energy conservation are written for an incompressible, single-phase fluid. The flow equations model a wide range of conditions including natural circulation. The energy equations include the effects of solid and fluid conduction, natural convection, and thermal radiation. The COBRA-SFS code is structured to perform both steady-state and transient calculations: however, the transient capability has not yet been validated. This volume describes the finite-volume equations and the method used to solve these equations. It is directed toward the user who is interested in gaining a more complete understanding of these methods
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)
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)
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.
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.
International Nuclear Information System (INIS)
Urbatsch, Todd J.; Evans, Thomas M.; Hughes, H. Grady
2001-01-01
Monte Carlo particle transport plays an important role in some multi-physics simulations. These simulations, which may additionally involve deterministic calculations, typically use a hexahedral or tetrahedral mesh. Trilinear hexahedrons are attractive for physics calculations because faces between cells are uniquely defined, distance-to-boundary calculations are deterministic, and hexahedral meshes tend to require fewer cells than tetrahedral meshes. We discuss one aspect of Monte Carlo transport: sampling a position in a tri-linear hexahedron, which is made up of eight control points, or nodes, and six bilinear faces, where each face is defined by four non-coplanar nodes in three-dimensional Cartesian space. We derive, code, and verify the exact sampling method and propose an approximation to it. Our proposed approximate method uses about one-third the memory and can be twice as fast as the exact sampling method, but we find that its inaccuracy limits its use to well-behaved hexahedrons. Daunted by the expense of the exact method, we propose an alternate approximate sampling method. First, calculate beforehand an approximate volume for each corner of the hexahedron by taking one-eighth of the volume of an imaginary parallelepiped defined by the corner node and the three nodes to which it is directly connected. For the sampling, assume separability in the parameters, and sample each parameter, in turn, from a linear pdf defined by the sum of the four corner volumes at each limit (-1 and 1) of the parameter. This method ignores the quadratic portion of the pdf, but it requires less storage, has simpler sampling, and needs no extra, on-the-fly calculations. We simplify verification by designing tests that consist of one or more cells that entirely fill a unit cube. Uniformly sampling complicated cells that fill a unit cube will result in uniformly sampling the unit cube. Unit cubes are easily analyzed. The first problem has four wedges (or tents, or A frames) whose
Numerical methods in matrix computations
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.
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
Comparison of Iterative Methods for Computing the Pressure Field in a Dynamic Network Model
DEFF Research Database (Denmark)
Mogensen, Kristian; Stenby, Erling Halfdan; Banerjee, Srilekha
1999-01-01
In dynamic network models, the pressure map (the pressure in the pores) must be evaluated at each time step. This calculation involves the solution of a large number of nonlinear algebraic systems of equations and accounts for more than 80 of the total CPU-time. Each nonlinear system requires...
DEFF Research Database (Denmark)
Rasmussen, Henrik Koblitz
2000-01-01
The 3D-LIM has as yet been used to simulate the following two three-dimensional problems. First, the method has been used to simulete for viscoelastic end-plate instability that occurs under certain conditions in the transient filament stretching apparatus for pressure sensitive adhesives (polyme...
Computational Methods in Plasma Physics
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,
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.
Computational modeling of objects presented in images fundamentals, methods and applications
Iacoviello, Daniela; Jorge, Renato; Tavares, João
2014-01-01
This book contains extended versions of selected papers from the 3rd edition of the International Symposium CompIMAGE. These contributions include cover methods of signal and image processing and analysis to tackle problems found in medicine, material science, surveillance, biometric, robotics, defence, satellite data, traffic analysis and architecture, image segmentation, 2D and 3D reconstruction, data acquisition, interpolation and registration, data visualization, motion and deformation analysis, and 3D vision
Patient-Specific Computational Modeling
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.
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 Intelligence, Cyber Security and Computational Models
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.
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.
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.
Chen, Alice Y.; McKee, Nancy
1999-01-01
Describes the developmental process used to visualize the calcium ATPase enzyme of the sarcoplasmic reticulum which involves evaluating scientific information, consulting scientists, model making, storyboarding, and creating and editing in a computer medium. (Author/CCM)
Computational and mathematical methods in brain atlasing.
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.
Computational methods in earthquake engineering
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. .
Chaos Modelling with Computers
Indian Academy of Sciences (India)
Home; Journals; Resonance – Journal of Science Education; Volume 1; Issue 5. Chaos Modelling with Computers Unpredicatable Behaviour of Deterministic Systems. Balakrishnan Ramasamy T S K V Iyer. General Article Volume 1 Issue 5 May 1996 pp 29-39 ...
Methods for computing color anaglyphs
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.
Novel methods in computational finance
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...
Nauton, Lionel; Hélaine, Virgil; Théry, Vincent; Hecquet, Laurence
2016-04-12
We propose the first computational model for transketolase (TK), a thiamine diphosphate (ThDP)-dependent enzyme, using a quantum mechanical/molecular mechanical method on the basis of crystallographic TK structures from yeast and Escherichia coli, together with experimental kinetic data reported in the literature with wild-type and mutant TK. This model allowed us to define a new route for ThDP activation in the enzyme environment. We evidenced a strong interaction between ThDP and Glu418B of the TK active site, itself stabilized by Glu162A. The crucial point highlighted here is that deprotonation of ThDP C2 is not performed by ThDP N4' as reported in the literature, but by His481B, involving a HOH688A molecule bridge. Thus, ThDP N4' is converted from an amino form to an iminium form, ensuring the stabilization of the C2 carbanion or carbene. Finally, ThDP activation proceeds via an intermolecular process and not by an intramolecular one as reported in the literature. More generally, this proposed ThDP activation mechanism can be applied to some other ThDP-dependent enzymes and used to define the entire TK mechanism with donor and acceptor substrates more accurately.
Combinatorial methods with computer applications
Gross, Jonathan L
2007-01-01
Combinatorial Methods with Computer Applications provides in-depth coverage of recurrences, generating functions, partitions, and permutations, along with some of the most interesting graph and network topics, design constructions, and finite geometries. Requiring only a foundation in discrete mathematics, it can serve as the textbook in a combinatorial methods course or in a combined graph theory and combinatorics course.After an introduction to combinatorics, the book explores six systematic approaches within a comprehensive framework: sequences, solving recurrences, evaluating summation exp
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.
Computational models of complex systems
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...
Healy, Richard W.; Scanlon, Bridget R.
2010-01-01
Simulation models are widely used in all types of hydrologic studies, and many of these models can be used to estimate recharge. Models can provide important insight into the functioning of hydrologic systems by identifying factors that influence recharge. The predictive capability of models can be used to evaluate how changes in climate, water use, land use, and other factors may affect recharge rates. Most hydrological simulation models, including watershed models and groundwater-flow models, are based on some form of water-budget equation, so the material in this chapter is closely linked to that in Chapter 2. Empirical models that are not based on a water-budget equation have also been used for estimating recharge; these models generally take the form of simple estimation equations that define annual recharge as a function of precipitation and possibly other climatic data or watershed characteristics.Model complexity varies greatly. Some models are simple accounting models; others attempt to accurately represent the physics of water movement through each compartment of the hydrologic system. Some models provide estimates of recharge explicitly; for example, a model based on the Richards equation can simulate water movement from the soil surface through the unsaturated zone to the water table. Recharge estimates can be obtained indirectly from other models. For example, recharge is a parameter in groundwater-flow models that solve for hydraulic head (i.e. groundwater level). Recharge estimates can be obtained through a model calibration process in which recharge and other model parameter values are adjusted so that simulated water levels agree with measured water levels. The simulation that provides the closest agreement is called the best fit, and the recharge value used in that simulation is the model-generated estimate of recharge.
Fischer, E A J; De Vlas, S J; Richardus, J H; Habbema, J D F
2008-09-01
Microsimulation of infectious diseases requires simulation of many life histories of interacting individuals. In particular, relatively rare infections such as leprosy need to be studied in very large populations. Computation time increases disproportionally with the size of the simulated population. We present a novel method, MUSIDH, an acronym for multiple use of simulated demographic histories, to reduce computation time. Demographic history refers to the processes of birth, death and all other demographic events that should be unrelated to the natural course of an infection, thus non-fatal infections. MUSIDH attaches a fixed number of infection histories to each demographic history, and these infection histories interact as if being the infection history of separate individuals. With two examples, mumps and leprosy, we show that the method can give a factor 50 reduction in computation time at the cost of a small loss in precision. The largest reductions are obtained for rare infections with complex demographic histories.
Computational methods for fluid dynamics
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...
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.
Directory of Open Access Journals (Sweden)
Philip Stegmaier
Full Text Available The molecular causes by which the epidermal growth factor receptor tyrosine kinase induces malignant transformation are largely unknown. To better understand EGFs' transforming capacity whole genome scans were applied to a transgenic mouse model of liver cancer and subjected to advanced methods of computational analysis to construct de novo gene regulatory networks based on a combination of sequence analysis and entrained graph-topological algorithms. Here we identified transcription factors, processes, key nodes and molecules to connect as yet unknown interacting partners at the level of protein-DNA interaction. Many of those could be confirmed by electromobility band shift assay at recognition sites of gene specific promoters and by western blotting of nuclear proteins. A novel cellular regulatory circuitry could therefore be proposed that connects cell cycle regulated genes with components of the EGF signaling pathway. Promoter analysis of differentially expressed genes suggested the majority of regulated transcription factors to display specificity to either the pre-tumor or the tumor state. Subsequent search for signal transduction key nodes upstream of the identified transcription factors and their targets suggested the insulin-like growth factor pathway to render the tumor cells independent of EGF receptor activity. Notably, expression of IGF2 in addition to many components of this pathway was highly upregulated in tumors. Together, we propose a switch in autocrine signaling to foster tumor growth that was initially triggered by EGF and demonstrate the knowledge gain form promoter analysis combined with upstream key node identification.
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...
Energy Technology Data Exchange (ETDEWEB)
Kopper, Claudio, E-mail: claudio.kopper@nikhef.nl [NIKHEF, Science Park 105, 1098 XG Amsterdam (Netherlands)
2013-10-11
Completed in 2008, Antares is now the largest water Cherenkov neutrino telescope in the Northern Hemisphere. Its main goal is to detect neutrinos from galactic and extra-galactic sources. Due to the high background rate of atmospheric muons and the high level of bioluminescence, several on-line and off-line filtering algorithms have to be applied to the raw data taken by the instrument. To be able to handle this data stream, a dedicated computing infrastructure has been set up. The paper covers the main aspects of the current official Antares computing model. This includes an overview of on-line and off-line data handling and storage. In addition, the current usage of the “IceTray” software framework for Antares data processing is highlighted. Finally, an overview of the data storage formats used for high-level analysis is given.
Computational methods for stellerator configurations
International Nuclear Information System (INIS)
Betancourt, O.
1992-01-01
This project had two main objectives. The first one was to continue to develop computational methods for the study of three dimensional magnetic confinement configurations. The second one was to collaborate and interact with researchers in the field who can use these techniques to study and design fusion experiments. The first objective has been achieved with the development of the spectral code BETAS and the formulation of a new variational approach for the study of magnetic island formation in a self consistent fashion. The code can compute the correct island width corresponding to the saturated island, a result shown by comparing the computed island with the results of unstable tearing modes in Tokamaks and with experimental results in the IMS Stellarator. In addition to studying three dimensional nonlinear effects in Tokamaks configurations, these self consistent computed island equilibria will be used to study transport effects due to magnetic island formation and to nonlinearly bifurcated equilibria. The second objective was achieved through direct collaboration with Steve Hirshman at Oak Ridge, D. Anderson and R. Talmage at Wisconsin as well as through participation in the Sherwood and APS meetings
Computational methods for molecular imaging
Shi, Kuangyu; Li, Shuo
2015-01-01
This volume contains original submissions on the development and application of molecular imaging computing. The editors invited authors to submit high-quality contributions on a wide range of topics including, but not limited to: • Image Synthesis & Reconstruction of Emission Tomography (PET, SPECT) and other Molecular Imaging Modalities • Molecular Imaging Enhancement • Data Analysis of Clinical & Pre-clinical Molecular Imaging • Multi-Modal Image Processing (PET/CT, PET/MR, SPECT/CT, etc.) • Machine Learning and Data Mining in Molecular Imaging. Molecular imaging is an evolving clinical and research discipline enabling the visualization, characterization and quantification of biological processes taking place at the cellular and subcellular levels within intact living subjects. Computational methods play an important role in the development of molecular imaging, from image synthesis to data analysis and from clinical diagnosis to therapy individualization. This work will bring readers fro...
International Nuclear Information System (INIS)
Potter, J.M.
1985-01-01
The mathematical background for a multiport-network-solving program is described. A method for accurately numerically modeling an arbitrary, continuous, multiport transmission line is discussed. A modification to the transmission-line equations to accommodate multiple rf drives is presented. An improved model for the radio-frequency quadrupole (RFQ) accelerator that corrects previous errors is given. This model permits treating the RFQ as a true eight-port network for simplicity in interpreting the field distribution and ensures that all modes propagate at the same velocity in the high-frequency limit. The flexibility of the multiport model is illustrated by simple modifications to otherwise two-dimensional systems that permit modeling them as linear chains of multiport networks
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...
Computer methods in general relativity: algebraic computing
Araujo, M E; Skea, J E F; Koutras, A; Krasinski, A; Hobill, D; McLenaghan, R G; Christensen, S M
1993-01-01
Karlhede & MacCallum [1] gave a procedure for determining the Lie algebra of the isometry group of an arbitrary pseudo-Riemannian manifold, which they intended to im- plement using the symbolic manipulation package SHEEP but never did. We have recently ﬁnished making this procedure explicit by giving an algorithm suitable for implemen- tation on a computer [2]. Specifically, we have written an algorithm for determining the isometry group of a spacetime (in four dimensions), and partially implemented this algorithm using the symbolic manipulation package CLASSI, which is an extension of SHEEP.
Plasticity modeling & computation
Borja, Ronaldo I
2013-01-01
There have been many excellent books written on the subject of plastic deformation in solids, but rarely can one find a textbook on this subject. “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. It adopts a simple narrative style that is not mathematically overbearing, and has been written to emulate a professor giving a lecture on this subject inside a classroom. Each section is written to provide a balance between the relevant equations and the explanations behind them. Where relevant, sections end with one or more exercises designed to reinforce the understanding of the “lecture.” Color figures enhance the presentation and make the book very pleasant to read. For professors planning to use this textbook for their classes, the contents are sufficient for Parts A and B that can be taught in sequence over a period of two semesters or quarters.
Energy Technology Data Exchange (ETDEWEB)
Millis, Andrew [Columbia Univ., New York, NY (United States). Dept. of Physics
2016-11-17
Understanding the behavior of interacting electrons in molecules and solids so that one can predict new superconductors, catalysts, light harvesters, energy and battery materials and optimize existing ones is the ``quantum many-body problem’’. This is one of the scientific grand challenges of the 21^{st} century. A complete solution to the problem has been proven to be exponentially hard, meaning that straightforward numerical approaches fail. New insights and new methods are needed to provide accurate yet feasible approximate solutions. This CMSCN project brought together chemists and physicists to combine insights from the two disciplines to develop innovative new approaches. Outcomes included the Density Matrix Embedding method, a new, computationally inexpensive and extremely accurate approach that may enable first principles treatment of superconducting and magnetic properties of strongly correlated materials, new techniques for existing methods including an Adaptively Truncated Hilbert Space approach that will vastly expand the capabilities of the dynamical mean field method, a self-energy embedding theory and a new memory-function based approach to the calculations of the behavior of driven systems. The methods developed under this project are now being applied to improve our understanding of superconductivity, to calculate novel topological properties of materials and to characterize and improve the properties of nanoscale devices.
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)
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
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.
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
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.
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
Tweedt, Daniel L.
2014-01-01
Computational Aerodynamic simulations of an 840 ft/sec tip speed, Advanced Ducted Propulsor 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, lownoise 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, resulting in quality, detailed aerodynamic and acoustic measurement data. 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 conditions 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, excluding a long core duct section downstream of the core inlet guide vane. As a result, only fan rotational speed and system bypass ratio, set by specifying static pressure downstream of the core inlet guide vane row, were adjusted 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. The computed blade row flow fields for all five 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 computed flow fields reveals no excessive boundary layer separations or related secondary-flow problems. A few spanwise comparisons between
Computational Models of Rock Failure
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
Delamination detection using methods of computational intelligence
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.
International Nuclear Information System (INIS)
Sabchevski, S; Zhelyazkov, I; Benova, E; Atanassov, V; Dankov, P; Thumm, M; Arnold, A; Jin, J; Rzesnicki, T
2006-01-01
Quasi-optical (QO) mode converters are used to transform electromagnetic waves of complex structure and polarization generated in gyrotron cavities into a linearly polarized, Gaussian-like beam suitable for transmission. The efficiency of this conversion as well as the maintenance of low level of diffraction losses are crucial for the implementation of powerful gyrotrons as radiation sources for electron-cyclotron-resonance heating of fusion plasmas. The use of adequate physical models, efficient numerical schemes and up-to-date computer codes may provide the high accuracy necessary for the design and analysis of these devices. In this review, we briefly sketch the most commonly used QO converters, the mathematical base they have been treated on and the basic features of the numerical schemes used. Further on, we discuss the applicability of several commercially available and free software packages, their advantages and drawbacks, for solving QO related problems
International Nuclear Information System (INIS)
Baumjohann, F.; Kroening, J.
1999-01-01
The present paper originates from a contribution to the safety assessment of a reactor pressure vessel (RPV). Investigations evaluating the safety against brittle fracture (exclosure of crack initiation and arrest assessments) are completed by calculations concerning ductile crack extension. Crack geometries including the expected crack extension are generated parametrically by a computer code and are used for further calculations with finite element programs. J-integrals of ductile growing cracks located between two comparative contours are determined by interpolation. The comparative contours are loaded by instationary temperature and pressure fields and are evaluated in advance. Taking the stability condition into consideration, the ductile crack extension is determined by pursuing the equilibrium between loading and crack resistance. The automatic modelling and a mathematical program processing the finite element results evaluate the crack growth of the finite element results very effectively. (orig.)
Zyss, Tomasz; Krawczyk, Andrzej; Zieba, Andrzej; Dudek, Dominika; Hese, Robert T; Drzymała, Paweł; Wiak, Sławomir; Sawicki, Bartosz; Starzyński, Jacek; Szmurło, Robert; Wincenciak, Stanisław
2010-01-01
With help of informatics technology it is possible to simulate various physiological processes in virtual models of biological structures. In a created realistic model of the human head we made some comparative investigations over physical phenomena accompanying the electroconvulsive treatment ECT and transcranial magnetic stimulation TMS--two methods with confirmed (ECT) or presumable (TMS) antidepressant efficacy. The present investigations are a continuation of the earlier conducted study in the simple spherical model of the head. Investigations confirmed, that magnetic stimulation TMS generates a considerably weaker current flow in the brain than it is present in electroconvulsive technique. Applying of such weak stimulation in modus,,at haphazard", i.e. on the brain area which does not need to be metabolically disturbed in this patient--cannot cause an antidepressant effect at all. The results of the investigations explain not only the safety of the magnetic method, but the weak effectiveness of this method. The authors propose some methods for improvement of TMS efficacy.
Computational Methods in Stochastic Dynamics Volume 2
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...
A physicist's model of computation
International Nuclear Information System (INIS)
Fredkin, E.
1991-01-01
An attempt is presented to make a statement about what a computer is and how it works from the perspective of physics. The single observation that computation can be a reversible process allows for the same kind of insight into computing as was obtained by Carnot's discovery that heat engines could be modelled as reversible processes. It allows us to bring computation into the realm of physics, where the power of physics allows us to ask and answer questions that seemed intractable from the viewpoint of computer science. Strangely enough, this effort makes it clear why computers get cheaper every year. (author) 14 refs., 4 figs
Computational Methods and Function Theory
Saff, Edward; Salinas, Luis; Varga, Richard
1990-01-01
The volume is devoted to the interaction of modern scientific computation and classical function theory. Many problems in pure and more applied function theory can be tackled using modern computing facilities: numerically as well as in the sense of computer algebra. On the other hand, computer algorithms are often based on complex function theory, and dedicated research on their theoretical foundations can lead to great enhancements in performance. The contributions - original research articles, a survey and a collection of problems - cover a broad range of such problems.
Directory of Open Access Journals (Sweden)
Tian Wu
2014-11-01
Full Text Available This paper presents a model for the projection of Chinese vehicle stocks and road vehicle energy demand through 2050 based on low-, medium-, and high-growth scenarios. To derive a gross-domestic product (GDP-dependent Gompertz function, Chinese GDP is estimated using a recursive dynamic Computable General Equilibrium (CGE model. The Gompertz function is estimated using historical data on vehicle development trends in North America, Pacific Rim and Europe to overcome the problem of insufficient long-running data on Chinese vehicle ownership. Results indicate that the number of projected vehicle stocks for 2050 is 300, 455 and 463 million for low-, medium-, and high-growth scenarios respectively. Furthermore, the growth in China’s vehicle stock will increase beyond the inflection point of Gompertz curve by 2020, but will not reach saturation point during the period 2014–2050. Of major road vehicle categories, cars are the largest energy consumers, followed by trucks and buses. Growth in Chinese vehicle demand is primarily determined by per capita GDP. Vehicle saturation levels solely influence the shape of the Gompertz curve and population growth weakly affects vehicle demand. Projected total energy consumption of road vehicles in 2050 is 380, 575 and 586 million tonnes of oil equivalent for each scenario.
Mathematical Modeling and Computational Thinking
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…
COMPUTATIONAL MODELS FOR SUSTAINABLE DEVELOPMENT
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...
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.
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.
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
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
Audette, M. A.; Hertel, I.; Burgert, O.; Strauss, G.
This paper presents on-going work on a method for determining which subvolumes of a patient-specific tissue map, extracted from CT data of the head, are relevant to simulating endoscopic sinus surgery of that individual, and for decomposing these relevant tissues into triangles and tetrahedra whose mesh size is well controlled. The overall goal is to limit the complexity of the real-time biomechanical interaction while ensuring the clinical relevance of the simulation. Relevant tissues are determined as the union of the pathology present in the patient, of critical tissues deemed to be near the intended surgical path or pathology, and of bone and soft tissue near the intended path, pathology or critical tissues. The processing of tissues, prior to meshing, is based on the Fast Marching method applied under various guises, in a conditional manner that is related to tissue classes. The meshing is based on an adaptation of a meshing method of ours, which combines the Marching Tetrahedra method and the discrete Simplex mesh surface model to produce a topologically faithful surface mesh with well controlled edge and face size as a first stage, and Almost-regular Tetrahedralization of the same prescribed mesh size as a last stage.
Mehdizadeh, Saeid; Behmanesh, Javad; Khalili, Keivan
2017-11-01
Precipitation plays an important role in determining the climate of a region. Precise estimation of precipitation is required to manage and plan water resources, as well as other related applications such as hydrology, climatology, meteorology and agriculture. Time series of hydrologic variables such as precipitation are composed of deterministic and stochastic parts. Despite this fact, the stochastic part of the precipitation data is not usually considered in modeling of precipitation process. As an innovation, the present study introduces three new hybrid models by integrating soft computing methods including multivariate adaptive regression splines (MARS), Bayesian networks (BN) and gene expression programming (GEP) with a time series model, namely generalized autoregressive conditional heteroscedasticity (GARCH) for modeling of the monthly precipitation. For this purpose, the deterministic (obtained by soft computing methods) and stochastic (obtained by GARCH time series model) parts are combined with each other. To carry out this research, monthly precipitation data of Babolsar, Bandar Anzali, Gorgan, Ramsar, Tehran and Urmia stations with different climates in Iran were used during the period of 1965-2014. Root mean square error (RMSE), relative root mean square error (RRMSE), mean absolute error (MAE) and determination coefficient (R2) were employed to evaluate the performance of conventional/single MARS, BN and GEP, as well as the proposed MARS-GARCH, BN-GARCH and GEP-GARCH hybrid models. It was found that the proposed novel models are more precise than single MARS, BN and GEP models. Overall, MARS-GARCH and BN-GARCH models yielded better accuracy than GEP-GARCH. The results of the present study confirmed the suitability of proposed methodology for precise modeling of precipitation.
Directory of Open Access Journals (Sweden)
Vijay Vedula
2017-10-01
Full Text Available Blood flow and mechanical forces in the ventricle are implicated in cardiac development and trabeculation. However, the mechanisms of mechanotransduction remain elusive. This is due in part to the challenges associated with accurately quantifying mechanical forces in the developing heart. We present a novel computational framework to simulate cardiac hemodynamics in developing zebrafish embryos by coupling 4-D light sheet imaging with a stabilized finite element flow solver, and extract time-dependent mechanical stimuli data. We employ deformable image registration methods to segment the motion of the ventricle from high resolution 4-D light sheet image data. This results in a robust and efficient workflow, as segmentation need only be performed at one cardiac phase, while wall position in the other cardiac phases is found by image registration. Ventricular hemodynamics are then quantified by numerically solving the Navier-Stokes equations in the moving wall domain with our validated flow solver. We demonstrate the applicability of the workflow in wild type zebrafish and three treated fish types that disrupt trabeculation: (a chemical treatment using AG1478, an ErbB2 signaling inhibitor that inhibits proliferation and differentiation of cardiac trabeculation; (b injection of gata1a morpholino oligomer (gata1aMO suppressing hematopoiesis and resulting in attenuated trabeculation; (c weak-atriumm58 mutant (wea with inhibited atrial contraction leading to a highly undeveloped ventricle and poor cardiac function. Our simulations reveal elevated wall shear stress (WSS in wild type and AG1478 compared to gata1aMO and wea. High oscillatory shear index (OSI in the grooves between trabeculae, compared to lower values on the ridges, in the wild type suggest oscillatory forces as a possible regulatory mechanism of cardiac trabeculation development. The framework has broad applicability for future cardiac developmental studies focused on quantitatively
Tweedt, Daniel L.
2014-01-01
Computational Aerodynamic simulations of a 1484 ft/sec tip speed quiet high-speed 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 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 includes a core duct and a bypass duct that merge upstream of the fan system nozzle. As a result, only fan rotational speed and the system bypass ratio, set by means of a translating nozzle plug, were adjusted 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 computed flow fields reveals no excessive or critical boundary layer separations or related secondary-flow problems, with the exception of the hub boundary layer at the core duct entrance. At that location a significant flow separation is present. The region of local flow
Computer Based Modelling and Simulation
Indian Academy of Sciences (India)
GENERAL I ARTICLE. Computer Based ... universities, and later did system analysis, ... sonal computers (PC) and low cost software packages and tools. They can serve as useful learning experience through student projects. Models are .... Let us consider a numerical example: to calculate the velocity of a trainer aircraft ...
Computational Modeling of Space Physiology
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.
COMPUTER METHODS OF GENETIC ANALYSIS.
Directory of Open Access Journals (Sweden)
A. L. Osipov
2017-02-01
Full Text Available The basic statistical methods used in conducting the genetic analysis of human traits. We studied by segregation analysis, linkage analysis and allelic associations. Developed software for the implementation of these methods support.
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
Computational methods in drug discovery
Sumudu P. Leelananda; Steffen Lindert
2016-01-01
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 project...
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....
Computational modelling in fluid mechanics
International Nuclear Information System (INIS)
Hauguel, A.
1985-01-01
The modelling of the greatest part of environmental or industrial flow problems gives very similar types of equations. The considerable increase in computing capacity over the last ten years consequently allowed numerical models of growing complexity to be processed. The varied group of computer codes presented are now a complementary tool of experimental facilities to achieve studies in the field of fluid mechanics. Several codes applied in the nuclear field (reactors, cooling towers, exchangers, plumes...) are presented among others [fr
Chaos Modelling with Computers
Indian Academy of Sciences (India)
Chaos is one of the major scientific discoveries of our times. In fact many scientists ... But there are other natural phenomena that are not predictable though ... characteristics of chaos. ... The position and velocity are all that are needed to determine the motion of a .... a system of equations that modelled the earth's weather ...
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.
Computer model for ductile fracture
International Nuclear Information System (INIS)
Moran, B.; Reaugh, J. E.
1979-01-01
A computer model is described for predicting ductile fracture initiation and propagation. The computer fracture model is calibrated by simple and notched round-bar tension tests and a precracked compact tension test. The model is used to predict fracture initiation and propagation in a Charpy specimen and compare the results with experiments. The calibrated model provides a correlation between Charpy V-notch (CVN) fracture energy and any measure of fracture toughness, such as J/sub Ic/. A second simpler empirical correlation was obtained using the energy to initiate fracture in the Charpy specimen rather than total energy CVN, and compared the results with the empirical correlation of Rolfe and Novak
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....
Hybrid Monte Carlo methods in computational finance
Leitao Rodriguez, A.
2017-01-01
Monte Carlo methods are highly appreciated and intensively employed in computational finance in the context of financial derivatives valuation or risk management. The method offers valuable advantages like flexibility, easy interpretation and straightforward implementation. Furthermore, the
Advanced computational electromagnetic methods and applications
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.
American Society for Testing and Materials. Philadelphia
2008-01-01
1.1 This test method provides procedures for measuring the leach rates of elements from a solidified matrix material, determining if the releases are controlled by mass diffusion, computing values of diffusion constants based on models, and verifying projected long-term diffusive releases. This test method is applicable to any material that does not degrade or deform during the test. 1.1.1 If mass diffusion is the dominant step in the leaching mechanism, then the results of this test can be used to calculate diffusion coefficients using mathematical diffusion models. A computer program developed for that purpose is available as a companion to this test method (Note 1). 1.1.2 It should be verified that leaching is controlled by diffusion by a means other than analysis of the leach test solution data. Analysis of concentration profiles of species of interest near the surface of the solid waste form after the test is recommended for this purpose. 1.1.3 Potential effects of partitioning on the test results can...
Computational Methods for Biomolecular Electrostatics
Dong, Feng; Olsen, Brett; Baker, Nathan A.
2008-01-01
An understanding of intermolecular interactions is essential for insight into how cells develop, operate, communicate and control their activities. Such interactions include several components: contributions from linear, angular, and torsional forces in covalent bonds, van der Waals forces, as well as electrostatics. Among the various components of molecular interactions, electrostatics are of special importance because of their long range and their influence on polar or charged molecules, including water, aqueous ions, and amino or nucleic acids, which are some of the primary components of living systems. Electrostatics, therefore, play important roles in determining the structure, motion and function of a wide range of biological molecules. This chapter presents a brief overview of electrostatic interactions in cellular systems with a particular focus on how computational tools can be used to investigate these types of interactions. PMID:17964951
Introducing Seismic Tomography with Computational Modeling
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.
Peterman, D. J.; Barton, C. C.
2017-12-01
Ectocochleate (external) cephalopod shells are comprised of a body chamber which houses the organism's soft parts and the phragmocone which consists of a series of progressively larger chambers (camerae) divided by septa. The phragmocone is used as a passive gas float for buoyancy regulation. The soft body and the mineralized shell are denser than water and are negatively buoyant while the phragmocone is positively buoyant due to some fraction of gas in its chambers. This provides a neutrally buoyant condition when the total mass of the organism is equal to the mass of the displaced water. The static orientation of the organism occurs when the centers of buoyancy and mass are vertically aligned and stability is determined by their degree of separation. Three-dimensional modeling of a specimen of Baculites compressus (which has a straight conical shell) was performed using Autodesk Meshmixer, Netfabb ®, Blender 2.78, and MeshLab. The initial 3D mesh shapefile was created by Autodesk ReCap 360™ photogrammetry software. The specimen requirements for the models include: an external shell (ideally complete, otherwise approximated), a septum showing lower order frilling, and a suture pattern to reconstruct the higher order septal frilling (for complex septa). Volumes and centers of mass/buoyancy were calculated with MeshLab in order to determine neutrality, stability, and orientation. Our method can be used to investigate the influence of morphological features on these hydrostatic properties of ectocochleate cephalopods and also the paleoecological implications of different morphotypes. Baculites compressus, is found to assume relatively stable vertical orientations when the shell is positively or neutrally buoyant. By arbitrarily flooding all chambers, the ammonite becomes negatively buoyant, and the centers of buoyancy and mass virtually coincide. This reduces stability but allows the living ammonite to assume a larger range of orientations, including horizontal
Computational methods for two-phase flow and particle transport
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.
Trust models in ubiquitous computing.
Krukow, Karl; Nielsen, Mogens; Sassone, Vladimiro
2008-10-28
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.
Computer Based Modelling and Simulation
Indian Academy of Sciences (India)
Home; Journals; Resonance – Journal of Science Education; Volume 6; Issue 3. Computer Based Modelling and Simulation - Modelling Deterministic Systems. N K Srinivasan. General Article Volume 6 Issue 3 March 2001 pp 46-54. Fulltext. Click here to view fulltext PDF. Permanent link:
Evolutionary Computing Methods for Spectral Retrieval
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 computational method for sharp interface advection
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.
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.
DEFF Research Database (Denmark)
Stahlhut, Carsten; Attias, Hagai Thomas; Stopczynski, Arkadiusz
2012-01-01
EEG source reconstruction involves solving an inverse problem that is highly ill-posed and dependent on a generally fixed forward propagation model. In this contribution we compare a low and high density EEG setup’s dependence on correct forward modeling. Specifically, we examine how different...... forward models affect the source estimates obtained using four inverse solvers Minimum-Norm, LORETA, Minimum-Variance Adaptive Beamformer, and Sparse Bayesian Learning....
Computational nanophotonics modeling and applications
Musa, Sarhan M
2013-01-01
This reference offers tools for engineers, scientists, biologists, and others working with the computational techniques of nanophotonics. It introduces the key concepts of computational methods in a manner that is easily digestible for newcomers to the field. The book also examines future applications of nanophotonics in the technical industry and covers new developments and interdisciplinary research in engineering, science, and medicine. It provides an overview of the key computational nanophotonics and describes the technologies with an emphasis on how they work and their key benefits.
Ranked retrieval of Computational Biology models.
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.
Computational methods in power system analysis
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.
Computational methods for data evaluation and assimilation
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
Wang, Y.
2011-01-01
The direct topographic effect (DTE) and indirect topographic effect (ITE) of Helmert's 2nd method of condensation are computed using the digital elevation model (DEM) SRTM30 in 30 arc-seconds globally. The computations assume a constant density of the topographic masses. Closed formulas are used in the inner zone of half degree, and Nagy's formulas are used in the innermost column to treat the singularity of integrals. To speed up the computations, 1-dimensional fast Fourier transform (1D FFT) is applied in outer zone computations. The computation accuracy is limited to 0.1 mGal and 0.1cm for the direct and indirect effect, respectively. The mean value and standard deviation of the DTE are -0.8 and ±7.6 mGal over land areas. The extreme value -274.3 mGal is located at latitude -13.579° and longitude 289.496°, at the height of 1426 meter in the Andes Mountains. The ITE is negative everywhere and has its minimum of -235.9 cm at the peak of Himalayas (8685 meter). The standard deviation and mean value over land areas are ±15.6 cm and -6.4 cm, respectively. Because the Stokes kernel does not contain the zero and first degree spherical harmonics, the mean value of the ITE can't be compensated through the remove-restore procedure under the Stokes-Helmert scheme, and careful treatment of the mean value in the ITE is required.
International Nuclear Information System (INIS)
Cheng, L.; Curtiss, L.A.; Assary, R.S.; Greeley, J.; Kerber, T.; Sauer, J.
2011-01-01
The adsorption and protonation of fructose in HZSM-5 have been studied for the assessment of models for accurate reaction energy calculations and the evaluation of molecular diffusivity. The adsorption and protonation were calculated using 2T, 5T, and 46T clusters as well as a periodic model. The results indicate that the reaction thermodynamics cannot be predicted correctly using small cluster models, such as 2T or 5T, because these small cluster models fail to represent the electrostatic effect of a zeolite cage, which provides additional stabilization to the ion pair formed upon the protonation of fructose. Structural parameters optimized using the 46T cluster model agree well with those of the full periodic model; however, the calculated reaction energies are in significant error due to the poor account of dispersion effects by density functional theory. The dispersion effects contribute -30.5 kcal/mol to the binding energy of fructose in the zeolite pore based on periodic model calculations that include dispersion interactions. The protonation of the fructose ternary carbon hydroxyl group was calculated to be exothermic by 5.5 kcal/mol with a reaction barrier of 2.9 kcal/mol using the periodic model with dispersion effects. Our results suggest that the internal diffusion of fructose in HZSM-5 is very likely to be energetically limited and only occurs at high temperature due to the large size of the molecule.
Notions of similarity for computational biology models
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
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.
Computer Modelling of Dynamic Processes
Directory of Open Access Journals (Sweden)
B. Rybakin
2000-10-01
Full Text Available Results of numerical modeling of dynamic problems are summed in the article up. These problems are characteristic for various areas of human activity, in particular for problem solving in ecology. The following problems are considered in the present work: computer modeling of dynamic effects on elastic-plastic bodies, calculation and determination of performances of gas streams in gas cleaning equipment, modeling of biogas formation processes.
Kalinina, Elizabeth A
2013-08-01
The explicit Euler's method is known to be very easy and effective in implementation for many applications. This article extends results previously obtained for the systems of linear differential equations with constant coefficients to arbitrary systems of ordinary differential equations. Optimal (providing minimum total error) step size is calculated at each step of Euler's method. Several examples of solving stiff systems are included. Copyright © 2013 Elsevier Ireland Ltd. All rights reserved.
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.
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)
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
Applied modelling and computing in social science
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.
International Nuclear Information System (INIS)
Torej, Allen J.; Rizwan-Uddin
2001-01-01
error estimate leads to significant computational overhead. However, this overhead can be reduced in the NIM-AMR by taking advantage of the fact that the truncation error estimate can be based on the node-averaged variable. Consequently, a consistent comparison for the Richardson truncation error estimate is made by using the average of the four node-averaged variables from the child grid and the corresponding node-averaged variable from the parent grid. Thus, each of the four nodes from the child grid has the same local truncation error. Once the selection routine has identified the nodes to be refined, a clustering algorithm is then used to efficiently group the selected nodes and generate the appropriate sub-meshes. For the NIM-AMR, the point clustering and grid generation algorithm developed by Berger and Rigoutsos is used. Another advantage of the NIM-AMR is that the node interior variation that results from the NIM can be exploited to derive efficient and accurate interpolation operators in the communication procedures of the AMR. By using the nodal reconstruction on the coarse node, the transverse-integrated variables associated with the four smaller nodes can be evaluated. The last component of the NIM-AMR, the governing algorithm, is based on the one used in the Berger-Oliger method. Finally, implementation of the NIM-AMR into a computer code, due to the recursive nature of the governing algorithm combined with the level-grid hierarchy, requires a language that can support these procedures. As an application of the approach outlined here, the NIMAMR is applied to the steady-state convection-diffusion equation. The NIM-AMR has been developed and implemented in FORTRAN 90, which allows for dynamic memory allocation, advanced data structures, and recursive subroutine capability. Several convection-diffusion problems have been solved. In this paper, the results of the recirculating flow problem are presented. In the NIM-AMR, oscillation-free results are obtained
Electromagnetic computation methods for lightning surge protection studies
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...
Tian, Wei; Cai, Li; Thissen, David; Xin, Tao
2013-01-01
In item response theory (IRT) modeling, the item parameter error covariance matrix plays a critical role in statistical inference procedures. When item parameters are estimated using the EM algorithm, the parameter error covariance matrix is not an automatic by-product of item calibration. Cai proposed the use of Supplemented EM algorithm for…
Computational electromagnetic methods for transcranial magnetic stimulation
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
Climate Modeling Computing Needs Assessment
Petraska, K. E.; McCabe, J. D.
2011-12-01
This paper discusses early findings of an assessment of computing needs for NASA science, engineering and flight communities. The purpose of this assessment is to document a comprehensive set of computing needs that will allow us to better evaluate whether our computing assets are adequately structured to meet evolving demand. The early results are interesting, already pointing out improvements we can make today to get more out of the computing capacity we have, as well as potential game changing innovations for the future in how we apply information technology to science computing. Our objective is to learn how to leverage our resources in the best way possible to do more science for less money. Our approach in this assessment is threefold: Development of use case studies for science workflows; Creating a taxonomy and structure for describing science computing requirements; and characterizing agency computing, analysis, and visualization resources. As projects evolve, science data sets increase in a number of ways: in size, scope, timelines, complexity, and fidelity. Generating, processing, moving, and analyzing these data sets places distinct and discernable requirements on underlying computing, analysis, storage, and visualization systems. The initial focus group for this assessment is the Earth Science modeling community within NASA's Science Mission Directorate (SMD). As the assessment evolves, this focus will expand to other science communities across the agency. We will discuss our use cases, our framework for requirements and our characterizations, as well as our interview process, what we learned and how we plan to improve our materials after using them in the first round of interviews in the Earth Science Modeling community. We will describe our plans for how to expand this assessment, first into the Earth Science data analysis and remote sensing communities, and then throughout the full community of science, engineering and flight at NASA.
Computer Profiling Based Model for Investigation
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...
Methods in computed angiotomography of the brain
International Nuclear Information System (INIS)
Yamamoto, Yuji; Asari, Shoji; Sadamoto, Kazuhiko.
1985-01-01
Authors introduce the methods in computed angiotomography of the brain. Setting of the scan planes and levels and the minimum dose bolus (MinDB) injection of contrast medium are described in detail. These methods are easily and safely employed with the use of already propagated CT scanners. Computed angiotomography is expected for clinical applications in many institutions because of its diagnostic value in screening of cerebrovascular lesions and in demonstrating the relationship between pathological lesions and cerebral vessels. (author)
Methods and experimental techniques in computer engineering
Schiaffonati, Viola
2014-01-01
Computing and science reveal a synergic relationship. On the one hand, it is widely evident that computing plays an important role in the scientific endeavor. On the other hand, the role of scientific method in computing is getting increasingly important, especially in providing ways to experimentally evaluate the properties of complex computing systems. This book critically presents these issues from a unitary conceptual and methodological perspective by addressing specific case studies at the intersection between computing and science. The book originates from, and collects the experience of, a course for PhD students in Information Engineering held at the Politecnico di Milano. Following the structure of the course, the book features contributions from some researchers who are working at the intersection between computing and science.
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
Efficient Numerical Methods for Stochastic Differential Equations in Computational Finance
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
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.
Finite difference computing with exponential decay models
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. .
Getting computer models to communicate
International Nuclear Information System (INIS)
Caremoli, Ch.; Erhard, P.
1999-01-01
Today's computers have the processing power to deliver detailed and global simulations of complex industrial processes such as the operation of a nuclear reactor core. So should we be producing new, global numerical models to take full advantage of this new-found power? If so, it would be a long-term job. There is, however, another solution; to couple the existing validated numerical models together so that they work as one. (authors)
Computational techniques of the simplex method
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.
Computational Modeling in Liver Surgery
Directory of Open Access Journals (Sweden)
Bruno Christ
2017-11-01
Full Text Available The need for extended liver resection is increasing due to the growing incidence of liver tumors in aging societies. Individualized surgical planning is the key for identifying the optimal resection strategy and to minimize the risk of postoperative liver failure and tumor recurrence. Current computational tools provide virtual planning of liver resection by taking into account the spatial relationship between the tumor and the hepatic vascular trees, as well as the size of the future liver remnant. However, size and function of the liver are not necessarily equivalent. Hence, determining the future liver volume might misestimate the future liver function, especially in cases of hepatic comorbidities such as hepatic steatosis. A systems medicine approach could be applied, including biological, medical, and surgical aspects, by integrating all available anatomical and functional information of the individual patient. Such an approach holds promise for better prediction of postoperative liver function and hence improved risk assessment. This review provides an overview of mathematical models related to the liver and its function and explores their potential relevance for computational liver surgery. We first summarize key facts of hepatic anatomy, physiology, and pathology relevant for hepatic surgery, followed by a description of the computational tools currently used in liver surgical planning. Then we present selected state-of-the-art computational liver models potentially useful to support liver surgery. Finally, we discuss the main challenges that will need to be addressed when developing advanced computational planning tools in the context of liver surgery.
Kariminia, Shahab; Motamedi, Shervin; Shamshirband, Shahaboddin; Piri, Jamshid; Mohammadi, Kasra; Hashim, Roslan; Roy, Chandrabhushan; Petković, Dalibor; Bonakdari, Hossein
2016-05-01
Visitors utilize the urban space based on their thermal perception and thermal environment. The thermal adaptation engages the user's behavioural, physiological and psychological aspects. These aspects play critical roles in user's ability to assess the thermal environments. Previous studies have rarely addressed the effects of identified factors such as gender, age and locality on outdoor thermal comfort, particularly in hot, dry climate. This study investigated the thermal comfort of visitors at two city squares in Iran based on their demographics as well as the role of thermal environment. Assessing the thermal comfort required taking physical measurement and questionnaire survey. In this study, a non-linear model known as the neural network autoregressive with exogenous input (NN-ARX) was employed. Five indices of physiological equivalent temperature (PET), predicted mean vote (PMV), standard effective temperature (SET), thermal sensation votes (TSVs) and mean radiant temperature ( T mrt) were trained and tested using the NN-ARX. Then, the results were compared to the artificial neural network (ANN) and the adaptive neuro-fuzzy inference system (ANFIS). The findings showed the superiority of the NN-ARX over the ANN and the ANFIS. For the NN-ARX model, the statistical indicators of the root mean square error (RMSE) and the mean absolute error (MAE) were 0.53 and 0.36 for the PET, 1.28 and 0.71 for the PMV, 2.59 and 1.99 for the SET, 0.29 and 0.08 for the TSV and finally 0.19 and 0.04 for the T mrt.
Computational Modeling of Complex Protein Activity Networks
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
Numerical Methods for Stochastic Computations A Spectral Method Approach
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
Empirical evaluation methods in computer vision
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
Three-dimensional protein structure prediction: Methods and computational strategies.
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.
A computational method for sharp interface advection
DEFF Research Database (Denmark)
Roenby, Johan; 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 volu...
Computing discharge using the index velocity method
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
Parallel computing in enterprise modeling.
Energy Technology Data Exchange (ETDEWEB)
Goldsby, Michael E.; Armstrong, Robert C.; Shneider, Max S.; Vanderveen, Keith; Ray, Jaideep; Heath, Zach; Allan, Benjamin A.
2008-08-01
This report presents the results of our efforts to apply high-performance computing to entity-based simulations with a multi-use plugin for parallel computing. We use the term 'Entity-based simulation' to describe a class of simulation which includes both discrete event simulation and agent based simulation. What simulations of this class share, and what differs from more traditional models, is that the result sought is emergent from a large number of contributing entities. Logistic, economic and social simulations are members of this class where things or people are organized or self-organize to produce a solution. Entity-based problems never have an a priori ergodic principle that will greatly simplify calculations. Because the results of entity-based simulations can only be realized at scale, scalable computing is de rigueur for large problems. Having said that, the absence of a spatial organizing principal makes the decomposition of the problem onto processors problematic. In addition, practitioners in this domain commonly use the Java programming language which presents its own problems in a high-performance setting. The plugin we have developed, called the Parallel Particle Data Model, overcomes both of these obstacles and is now being used by two Sandia frameworks: the Decision Analysis Center, and the Seldon social simulation facility. While the ability to engage U.S.-sized problems is now available to the Decision Analysis Center, this plugin is central to the success of Seldon. Because Seldon relies on computationally intensive cognitive sub-models, this work is necessary to achieve the scale necessary for realistic results. With the recent upheavals in the financial markets, and the inscrutability of terrorist activity, this simulation domain will likely need a capability with ever greater fidelity. High-performance computing will play an important part in enabling that greater fidelity.
Cosmic logic: a computational model
International Nuclear Information System (INIS)
Vanchurin, Vitaly
2016-01-01
We initiate a formal study of logical inferences in context of the measure problem in cosmology or what we call cosmic logic. We describe a simple computational model of cosmic logic suitable for analysis of, for example, discretized cosmological systems. The construction is based on a particular model of computation, developed by Alan Turing, with cosmic observers (CO), cosmic measures (CM) and cosmic symmetries (CS) described by Turing machines. CO machines always start with a blank tape and CM machines take CO's Turing number (also known as description number or Gödel number) as input and output the corresponding probability. Similarly, CS machines take CO's Turing number as input, but output either one if the CO machines are in the same equivalence class or zero otherwise. We argue that CS machines are more fundamental than CM machines and, thus, should be used as building blocks in constructing CM machines. We prove the non-computability of a CS machine which discriminates between two classes of CO machines: mortal that halts in finite time and immortal that runs forever. In context of eternal inflation this result implies that it is impossible to construct CM machines to compute probabilities on the set of all CO machines using cut-off prescriptions. The cut-off measures can still be used if the set is reduced to include only machines which halt after a finite and predetermined number of steps
Computational efficiency for the surface renewal method
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.
Computational Models for Nonlinear Aeroelastic Systems, Phase II
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...
Cloud computing methods and practical approaches
Mahmood, Zaigham
2013-01-01
This book presents both state-of-the-art research developments and practical guidance on approaches, technologies and frameworks for the emerging cloud paradigm. Topics and features: presents the state of the art in cloud technologies, infrastructures, and service delivery and deployment models; discusses relevant theoretical frameworks, practical approaches and suggested methodologies; offers guidance and best practices for the development of cloud-based services and infrastructures, and examines management aspects of cloud computing; reviews consumer perspectives on mobile cloud computing an
Computational methods in molecular imaging technologies
Gunjan, Vinit Kumar; Venkatesh, C; Amarnath, M
2017-01-01
This book highlights the experimental investigations that have been carried out on magnetic resonance imaging and computed tomography (MRI & CT) images using state-of-the-art Computational Image processing techniques, and tabulates the statistical values wherever necessary. In a very simple and straightforward way, it explains how image processing methods are used to improve the quality of medical images and facilitate analysis. It offers a valuable resource for researchers, engineers, medical doctors and bioinformatics experts alike.
Minimal models of multidimensional computations.
Directory of Open Access Journals (Sweden)
Jeffrey D Fitzgerald
2011-03-01
Full Text Available The multidimensional computations performed by many biological systems are often characterized with limited information about the correlations between inputs and outputs. Given this limitation, our approach is to construct the maximum noise entropy response function of the system, leading to a closed-form and minimally biased model consistent with a given set of constraints on the input/output moments; the result is equivalent to conditional random field models from machine learning. For systems with binary outputs, such as neurons encoding sensory stimuli, the maximum noise entropy models are logistic functions whose arguments depend on the constraints. A constraint on the average output turns the binary maximum noise entropy models into minimum mutual information models, allowing for the calculation of the information content of the constraints and an information theoretic characterization of the system's computations. We use this approach to analyze the nonlinear input/output functions in macaque retina and thalamus; although these systems have been previously shown to be responsive to two input dimensions, the functional form of the response function in this reduced space had not been unambiguously identified. A second order model based on the logistic function is found to be both necessary and sufficient to accurately describe the neural responses to naturalistic stimuli, accounting for an average of 93% of the mutual information with a small number of parameters. Thus, despite the fact that the stimulus is highly non-Gaussian, the vast majority of the information in the neural responses is related to first and second order correlations. Our results suggest a principled and unbiased way to model multidimensional computations and determine the statistics of the inputs that are being encoded in the outputs.
Editorial: Modelling and computational challenges in granular materials
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...
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
Digital image processing mathematical and computational methods
Blackledge, J M
2005-01-01
This authoritative text (the second part of a complete MSc course) provides mathematical methods required to describe images, image formation and different imaging systems, coupled with the principle techniques used for processing digital images. It is based on a course for postgraduates reading physics, electronic engineering, telecommunications engineering, information technology and computer science. This book relates the methods of processing and interpreting digital images to the 'physics' of imaging systems. Case studies reinforce the methods discussed, with examples of current research
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 Modeling of Biological Systems From Molecules to Pathways
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.
The use of conduction model in laser weld profile computation
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.
Domain decomposition methods and parallel computing
International Nuclear Information System (INIS)
Meurant, G.
1991-01-01
In this paper, we show how to efficiently solve large linear systems on parallel computers. These linear systems arise from discretization of scientific computing problems described by systems of partial differential equations. We show how to get a discrete finite dimensional system from the continuous problem and the chosen conjugate gradient iterative algorithm is briefly described. Then, the different kinds of parallel architectures are reviewed and their advantages and deficiencies are emphasized. We sketch the problems found in programming the conjugate gradient method on parallel computers. For this algorithm to be efficient on parallel machines, domain decomposition techniques are introduced. We give results of numerical experiments showing that these techniques allow a good rate of convergence for the conjugate gradient algorithm as well as computational speeds in excess of a billion of floating point operations per second. (author). 5 refs., 11 figs., 2 tabs., 1 inset
Energy Technology Data Exchange (ETDEWEB)
Townsley, Dean M.; Miles, Broxton J. [Department of Physics and Astronomy, University of Alabama, Tuscaloosa, AL (United States); Timmes, F. X. [School of Earth and Space Exploration, Arizona State University, Tempe, AZ (United States); Calder, Alan C. [Department of Physics and Astronomy, Stony Brook University, Stony Brook, NY (United States); Brown, Edward F., E-mail: Dean.M.Townsley@ua.edu [The Joint Institute for Nuclear Astrophysics, Michigan State University, East Lansing, MI (United States)
2016-07-01
We refine our previously introduced parameterized model for explosive carbon–oxygen fusion during thermonuclear Type Ia supernovae (SNe Ia) by adding corrections to post-processing of recorded Lagrangian fluid-element histories to obtain more accurate isotopic yields. Deflagration and detonation products are verified for propagation in a medium of uniform density. A new method is introduced for reconstructing the temperature–density history within the artificially thick model deflagration front. We obtain better than 5% consistency between the electron capture computed by the burning model and yields from post-processing. For detonations, we compare to a benchmark calculation of the structure of driven steady-state planar detonations performed with a large nuclear reaction network and error-controlled integration. We verify that, for steady-state planar detonations down to a density of 5 × 10{sup 6} g cm{sup −3}, our post-processing matches the major abundances in the benchmark solution typically to better than 10% for times greater than 0.01 s after the passage of the shock front. As a test case to demonstrate the method, presented here with post-processing for the first time, we perform a two-dimensional simulation of a SN Ia in the scenario of a Chandrasekhar-mass deflagration–detonation transition (DDT). We find that reconstruction of deflagration tracks leads to slightly more complete silicon burning than without reconstruction. The resulting abundance structure of the ejecta is consistent with inferences from spectroscopic studies of observed SNe Ia. We confirm the absence of a central region of stable Fe-group material for the multi-dimensional DDT scenario. Detailed isotopic yields are tabulated and change only modestly when using deflagration reconstruction.
Business model elements impacting cloud computing adoption
DEFF Research Database (Denmark)
Bogataj, Kristina; Pucihar, Andreja; Sudzina, Frantisek
The paper presents a proposed research framework for identification of business model elements impacting Cloud Computing Adoption. We provide a definition of main Cloud Computing characteristics, discuss previous findings on factors impacting Cloud Computing Adoption, and investigate technology a...
Reproducibility in Computational Neuroscience Models and Simulations
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
Computational and instrumental methods in EPR
Bender, Christopher J
2006-01-01
Computational and Instrumental Methods in EPR Prof. Bender, Fordham University Prof. Lawrence J. Berliner, University of Denver Electron magnetic resonance has been greatly facilitated by the introduction of advances in instrumentation and better computational tools, such as the increasingly widespread use of the density matrix formalism. This volume is devoted to both instrumentation and computation aspects of EPR, while addressing applications such as spin relaxation time measurements, the measurement of hyperfine interaction parameters, and the recovery of Mn(II) spin Hamiltonian parameters via spectral simulation. Key features: Microwave Amplitude Modulation Technique to Measure Spin-Lattice (T1) and Spin-Spin (T2) Relaxation Times Improvement in the Measurement of Spin-Lattice Relaxation Time in Electron Paramagnetic Resonance Quantitative Measurement of Magnetic Hyperfine Parameters and the Physical Organic Chemistry of Supramolecular Systems New Methods of Simulation of Mn(II) EPR Spectra: Single Cryst...
Computational botany methods for automated species identification
Remagnino, Paolo; Wilkin, Paul; Cope, James; Kirkup, Don
2017-01-01
This book discusses innovative methods for mining information from images of plants, especially leaves, and highlights the diagnostic features that can be implemented in fully automatic systems for identifying plant species. Adopting a multidisciplinary approach, it explores the problem of plant species identification, covering both the concepts of taxonomy and morphology. It then provides an overview of morphometrics, including the historical background and the main steps in the morphometric analysis of leaves together with a number of applications. The core of the book focuses on novel diagnostic methods for plant species identification developed from a computer scientist’s perspective. It then concludes with a chapter on the characterization of botanists' visions, which highlights important cognitive aspects that can be implemented in a computer system to more accurately replicate the human expert’s fixation process. The book not only represents an authoritative guide to advanced computational tools fo...
Computational Modeling in Tissue Engineering
2013-01-01
One of the major challenges in tissue engineering is the translation of biological knowledge on complex cell and tissue behavior into a predictive and robust engineering process. Mastering this complexity is an essential step towards clinical applications of tissue engineering. This volume discusses computational modeling tools that allow studying the biological complexity in a more quantitative way. More specifically, computational tools can help in: (i) quantifying and optimizing the tissue engineering product, e.g. by adapting scaffold design to optimize micro-environmental signals or by adapting selection criteria to improve homogeneity of the selected cell population; (ii) quantifying and optimizing the tissue engineering process, e.g. by adapting bioreactor design to improve quality and quantity of the final product; and (iii) assessing the influence of the in vivo environment on the behavior of the tissue engineering product, e.g. by investigating vascular ingrowth. The book presents examples of each...
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
Applying Human Computation Methods to Information Science
Harris, Christopher Glenn
2013-01-01
Human Computation methods such as crowdsourcing and games with a purpose (GWAP) have each recently drawn considerable attention for their ability to synergize the strengths of people and technology to accomplish tasks that are challenging for either to do well alone. Despite this increased attention, much of this transformation has been focused on…
The asymptotic expansion method via symbolic computation
Navarro, Juan F.
2012-01-01
This paper describes an algorithm for implementing a perturbation method based on an asymptotic expansion of the solution to a second-order differential equation. We also introduce a new symbolic computation system which works with the so-called modified quasipolynomials, as well as an implementation of the algorithm on it.
The Asymptotic Expansion Method via Symbolic Computation
Directory of Open Access Journals (Sweden)
Juan F. Navarro
2012-01-01
Full Text Available This paper describes an algorithm for implementing a perturbation method based on an asymptotic expansion of the solution to a second-order differential equation. We also introduce a new symbolic computation system which works with the so-called modified quasipolynomials, as well as an implementation of the algorithm on it.
Computationally efficient methods for digital control
Guerreiro Tome Antunes, D.J.; Hespanha, J.P.; Silvestre, C.J.; Kataria, N.; Brewer, F.
2008-01-01
The problem of designing a digital controller is considered with the novelty of explicitly taking into account the computation cost of the controller implementation. A class of controller emulation methods inspired by numerical analysis is proposed. Through various examples it is shown that these
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
Soft Computing Methods in Design of Superalloys
Cios, K. J.; Berke, L.; Vary, A.; Sharma, S.
1996-01-01
Soft computing techniques of neural networks and genetic algorithms are used in the design of superalloys. The cyclic oxidation attack parameter K(sub a), generated from tests at NASA Lewis Research Center, is modelled as a function of the superalloy chemistry and test temperature using a neural network. This model is then used in conjunction with a genetic algorithm to obtain an optimized superalloy composition resulting in low K(sub a) values.
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
Graph modeling systems and methods
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.
Advanced Computational Methods in Bio-Mechanics.
Al Qahtani, Waleed M S; El-Anwar, Mohamed I
2018-04-15
A novel partnership between surgeons and machines, made possible by advances in computing and engineering technology, could overcome many of the limitations of traditional surgery. By extending surgeons' ability to plan and carry out surgical interventions more accurately and with fewer traumas, computer-integrated surgery (CIS) systems could help to improve clinical outcomes and the efficiency of healthcare delivery. CIS systems could have a similar impact on surgery to that long since realised in computer-integrated manufacturing. Mathematical modelling and computer simulation have proved tremendously successful in engineering. Computational mechanics has enabled technological developments in virtually every area of our lives. One of the greatest challenges for mechanists is to extend the success of computational mechanics to fields outside traditional engineering, in particular to biology, the biomedical sciences, and medicine. Biomechanics has significant potential for applications in orthopaedic industry, and the performance arts since skills needed for these activities are visibly related to the human musculoskeletal and nervous systems. Although biomechanics is widely used nowadays in the orthopaedic industry to design orthopaedic implants for human joints, dental parts, external fixations and other medical purposes, numerous researches funded by billions of dollars are still running to build a new future for sports and human healthcare in what is called biomechanics era.
Computational Studies of Protein Hydration Methods
Morozenko, Aleksandr
It is widely appreciated that water plays a vital role in proteins' functions. The long-range proton transfer inside proteins is usually carried out by the Grotthuss mechanism and requires a chain of hydrogen bonds that is composed of internal water molecules and amino acid residues of the protein. In other cases, water molecules can facilitate the enzymes catalytic reactions by becoming a temporary proton donor/acceptor. Yet a reliable way of predicting water protein interior is still not available to the biophysics community. This thesis presents computational studies that have been performed to gain insights into the problems of fast and accurate prediction of potential water sites inside internal cavities of protein. Specifically, we focus on the task of attainment of correspondence between results obtained from computational experiments and experimental data available from X-ray structures. An overview of existing methods of predicting water molecules in the interior of a protein along with a discussion of the trustworthiness of these predictions is a second major subject of this thesis. A description of differences of water molecules in various media, particularly, gas, liquid and protein interior, and theoretical aspects of designing an adequate model of water for the protein environment are widely discussed in chapters 3 and 4. In chapter 5, we discuss recently developed methods of placement of water molecules into internal cavities of a protein. We propose a new methodology based on the principle of docking water molecules to a protein body which allows to achieve a higher degree of matching experimental data reported in protein crystal structures than other techniques available in the world of biophysical software. The new methodology is tested on a set of high-resolution crystal structures of oligopeptide-binding protein (OppA) containing a large number of resolved internal water molecules and applied to bovine heart cytochrome c oxidase in the fully
Opportunity for Realizing Ideal Computing System using Cloud Computing Model
Sreeramana Aithal; Vaikunth Pai T
2017-01-01
An ideal computing system is a computing system with ideal characteristics. The major components and their performance characteristics of such hypothetical system can be studied as a model with predicted input, output, system and environmental characteristics using the identified objectives of computing which can be used in any platform, any type of computing system, and for application automation, without making modifications in the form of structure, hardware, and software coding by an exte...
Soft computing methods for geoidal height transformation
Akyilmaz, O.; Özlüdemir, M. T.; Ayan, T.; Çelik, R. N.
2009-07-01
Soft computing techniques, such as fuzzy logic and artificial neural network (ANN) approaches, have enabled researchers to create precise models for use in many scientific and engineering applications. Applications that can be employed in geodetic studies include the estimation of earth rotation parameters and the determination of mean sea level changes. Another important field of geodesy in which these computing techniques can be applied is geoidal height transformation. We report here our use of a conventional polynomial model, the Adaptive Network-based Fuzzy (or in some publications, Adaptive Neuro-Fuzzy) Inference System (ANFIS), an ANN and a modified ANN approach to approximate geoid heights. These approximation models have been tested on a number of test points. The results obtained through the transformation processes from ellipsoidal heights into local levelling heights have also been compared.
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
International Conference on Computational Intelligence, Cyber Security, and Computational Models
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.
Advances of evolutionary computation methods and operators
Cuevas, Erik; Oliva Navarro, Diego Alberto
2016-01-01
The goal of this book is to present advances that discuss alternative Evolutionary Computation (EC) developments and non-conventional operators which have proved to be eﬀective in the solution of several complex problems. The book has been structured so that each chapter can be read independently from the others. The book contains nine chapters with the following themes: 1) Introduction, 2) the Social Spider Optimization (SSO), 3) the States of Matter Search (SMS), 4) the collective animal behavior (CAB) algorithm, 5) the Allostatic Optimization (AO) method, 6) the Locust Search (LS) algorithm, 7) the Adaptive Population with Reduced Evaluations (APRE) method, 8) the multimodal CAB, 9) the constrained SSO method.
Computer modeling of liquid crystals
International Nuclear Information System (INIS)
Al-Barwani, M.S.
1999-01-01
In this thesis, we investigate several aspects of the behaviour of liquid crystal molecules near interfaces using computer simulation. We briefly discuss experiment, theoretical and computer simulation studies of some of the liquid crystal interfaces. We then describe three essentially independent research topics. The first of these concerns extensive simulations of a liquid crystal formed by long flexible molecules. We examined the bulk behaviour of the model and its structure. Studies of a film of smectic liquid crystal surrounded by vapour were also carried out. Extensive simulations were also done for a long-molecule/short-molecule mixture, studies were then carried out to investigate the liquid-vapour interface of the mixture. Next, we report the results of large scale simulations of soft-spherocylinders of two different lengths. We examined the bulk coexistence of the nematic and isotropic phases of the model. Once the bulk coexistence behaviour was known, properties of the nematic-isotropic interface were investigated. This was done by fitting order parameter and density profiles to appropriate mathematical functions and calculating the biaxial order parameter. We briefly discuss the ordering at the interfaces and make attempts to calculate the surface tension. Finally, in our third project, we study the effects of different surface topographies on creating bistable nematic liquid crystal devices. This was carried out using a model based on the discretisation of the free energy on a lattice. We use simulation to find the lowest energy states and investigate if they are degenerate in energy. We also test our model by studying the Frederiks transition and comparing with analytical and other simulation results. (author)
Particle modeling of plasmas computational plasma physics
International Nuclear Information System (INIS)
Dawson, J.M.
1991-01-01
Recently, through the development of supercomputers, a powerful new method for exploring plasmas has emerged; it is computer modeling of plasmas. Such modeling can duplicate many of the complex processes that go on in a plasma and allow scientists to understand what the important processes are. It helps scientists gain an intuition about this complex state of matter. It allows scientists and engineers to explore new ideas on how to use plasma before building costly experiments; it allows them to determine if they are on the right track. It can duplicate the operation of devices and thus reduce the need to build complex and expensive devices for research and development. This is an exciting new endeavor that is in its infancy, but which can play an important role in the scientific and technological competitiveness of the US. There are a wide range of plasma models that are in use. There are particle models, fluid models, hybrid particle fluid models. These can come in many forms, such as explicit models, implicit models, reduced dimensional models, electrostatic models, magnetostatic models, electromagnetic models, and almost an endless variety of other models. Here the author will only discuss particle models. He will give a few examples of the use of such models; these will be taken from work done by the Plasma Modeling Group at UCLA because he is most familiar with work. However, it only gives a small view of the wide range of work being done around the US, or for that matter around the world
Computer modelling of superconductive fault current limiters
Energy Technology Data Exchange (ETDEWEB)
Weller, R.A.; Campbell, A.M.; Coombs, T.A.; Cardwell, D.A.; Storey, R.J. [Cambridge Univ. (United Kingdom). Interdisciplinary Research Centre in Superconductivity (IRC); Hancox, J. [Rolls Royce, Applied Science Division, Derby (United Kingdom)
1998-05-01
Investigations are being carried out on the use of superconductors for fault current limiting applications. A number of computer programs are being developed to predict the behavior of different `resistive` fault current limiter designs under a variety of fault conditions. The programs achieve solution by iterative methods based around real measured data rather than theoretical models in order to achieve accuracy at high current densities. (orig.) 5 refs.
DEFF Research Database (Denmark)
2014-01-01
The present invention proposes methods, devices and computer program products. To this extent, there is defined a set X including N distinct parameter values x_i for at least one input parameter x, N being an integer greater than or equal to 1, first measured the physical quantity Pm1 for each...
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.
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.
Computer models for economic and silvicultural decisions
Rosalie J. Ingram
1989-01-01
Computer systems can help simplify decisionmaking to manage forest ecosystems. We now have computer models to help make forest management decisions by predicting changes associated with a particular management action. Models also help you evaluate alternatives. To be effective, the computer models must be reliable and appropriate for your situation.
BLUES function method in computational physics
Indekeu, Joseph O.; Müller-Nedebock, Kristian K.
2018-04-01
We introduce a computational method in physics that goes ‘beyond linear use of equation superposition’ (BLUES). A BLUES function is defined as a solution of a nonlinear differential equation (DE) with a delta source that is at the same time a Green’s function for a related linear DE. For an arbitrary source, the BLUES function can be used to construct an exact solution to the nonlinear DE with a different, but related source. Alternatively, the BLUES function can be used to construct an approximate piecewise analytical solution to the nonlinear DE with an arbitrary source. For this alternative use the related linear DE need not be known. The method is illustrated in a few examples using analytical calculations and numerical computations. Areas for further applications are suggested.
Spatial analysis statistics, visualization, and computational methods
Oyana, Tonny J
2015-01-01
An introductory text for the next generation of geospatial analysts and data scientists, Spatial Analysis: Statistics, Visualization, and Computational Methods focuses on the fundamentals of spatial analysis using traditional, contemporary, and computational methods. Outlining both non-spatial and spatial statistical concepts, the authors present practical applications of geospatial data tools, techniques, and strategies in geographic studies. They offer a problem-based learning (PBL) approach to spatial analysis-containing hands-on problem-sets that can be worked out in MS Excel or ArcGIS-as well as detailed illustrations and numerous case studies. The book enables readers to: Identify types and characterize non-spatial and spatial data Demonstrate their competence to explore, visualize, summarize, analyze, optimize, and clearly present statistical data and results Construct testable hypotheses that require inferential statistical analysis Process spatial data, extract explanatory variables, conduct statisti...
Computer Animation Based on Particle Methods
Directory of Open Access Journals (Sweden)
Rafal Wcislo
1999-01-01
Full Text Available The paper presents the main issues of a computer animation of a set of elastic macroscopic objects based on the particle method. The main assumption of the generated animations is to achieve very realistic movements in a scene observed on the computer display. The objects (solid bodies interact mechanically with each other, The movements and deformations of solids are calculated using the particle method. Phenomena connected with the behaviour of solids in the gravitational field, their defomtations caused by collisions and interactions with the optional liquid medium are simulated. The simulation ofthe liquid is performed using the cellular automata method. The paper presents both simulation schemes (particle method and cellular automata rules an the method of combining them in the single animation program. ln order to speed up the execution of the program the parallel version based on the network of workstation was developed. The paper describes the methods of the parallelization and it considers problems of load-balancing, collision detection, process synchronization and distributed control of the animation.
Energy Technology Data Exchange (ETDEWEB)
Aldosary, Ghada, E-mail: ghada.aldosary@mail.mcgill.ca [Medical Physics Unit, McGill University Health Centre, Montreal, Quebec (Canada); Nobah, Ahmad; Al-Zorkani, Faisal [Biomedical Physics Department, King Faisal Specialist Hospital and Research Center, Riyadh (Saudi Arabia); Devic, Slobodan [Department of Radiation Oncology, Jewish General Hospital, McGill University, Montreal, Quebec (Canada); Moftah, Belal [Medical Physics Unit, McGill University Health Centre, Montreal, Quebec (Canada); Biomedical Physics Department, King Faisal Specialist Hospital and Research Center, Riyadh (Saudi Arabia)
2015-01-01
The effect of a treatment couch on dose perturbation is not always fully considered in intensity-modulated radiation therapy (IMRT) and volumetric modulated arc therapy (VMAT). In the course of inverse planning radiotherapy techniques, beam parameter optimization may change in the absence of the couch, causing errors in the calculated dose distributions. Although modern treatment planning systems (TPS) include data for the treatment couch components, they are not manufactured identically. Thus, variations in their Hounsfield unit (HU) values may exist. Moreover, a radiotherapy facility may wish to have a third-party custom tabletop installed that is not included by the TPS vendor. This study demonstrates a practical and simple method of acquiring reliable computed tomography (CT) data for the treatment couch and shows how the absorbed dose calculated with the modeled treatment couch can differ from that with the default treatment couch found in the TPS. We also experimentally verified that neglecting to incorporate the treatment couch completely in the treatment planning process might result in dose differences of up to 9.5% and 7.3% for 4-MV and 10-MV photon beams, respectively. Furthermore, 20 RapidArc and IMRT cases were used to quantify the change in calculated dose distributions caused by using either the default or modeled couch. From 2-dimensional (2D) ionization chamber array measurements, we observed large dose distribution differences between the measurements and calculations when the couch was omitted that varied according to the planning technique and anatomic site. Thus, incorporating the treatment couch in the dose calculation phase of treatment planning significantly decreases dose calculation errors.
Computational methods of electron/photon transport
International Nuclear Information System (INIS)
Mack, J.M.
1983-01-01
A review of computational methods simulating the non-plasma transport of electrons and their attendant cascades is presented. Remarks are mainly restricted to linearized formalisms at electron energies above 1 keV. The effectiveness of various metods is discussed including moments, point-kernel, invariant imbedding, discrete-ordinates, and Monte Carlo. Future research directions and the potential impact on various aspects of science and engineering are indicated
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
Mathematical optics classical, quantum, and computational methods
Lakshminarayanan, Vasudevan
2012-01-01
Going beyond standard introductory texts, Mathematical Optics: Classical, Quantum, and Computational Methods brings together many new mathematical techniques from optical science and engineering research. Profusely illustrated, the book makes the material accessible to students and newcomers to the field. Divided into six parts, the text presents state-of-the-art mathematical methods and applications in classical optics, quantum optics, and image processing. Part I describes the use of phase space concepts to characterize optical beams and the application of dynamic programming in optical wave
International Nuclear Information System (INIS)
Tu, J.Y.; Easey, J.F.; Burch, W.M.
1997-01-01
In this paper, some work on computational modelling for industrial operations and processes will be presented, for example, the modelling of fly-ash flow and the associated prediction of erosion in power utility boilers. The introduction and use of new formulations of encapsulated radioisotopes, currently being research at ANSTO, will open up further possibilities for the utilisation of radiotracer applications for a wider range of validation work not only in industrial but also in medical investigations. Applications of developed models to solving industrial problems will also be discussed in the paper
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.
Computational Methods for Conformational Sampling of Biomolecules
DEFF Research Database (Denmark)
Bottaro, Sandro
mathematical approach to a classic geometrical problem in protein simulations, and demonstrated its superiority compared to existing approaches. Secondly, we have constructed a more accurate implicit model of the aqueous environment, which is of fundamental importance in protein chemistry. This model......Proteins play a fundamental role in virtually every process within living organisms. For example, some proteins act as enzymes, catalyzing a wide range of reactions necessary for life, others mediate the cell interaction with the surrounding environment and still others have regulatory functions...... is computationally much faster than models where water molecules are represented explicitly. Finally, in collaboration with the group of structural bioinformatics at the Department of Biology (KU), we have applied these techniques in the context of modeling of protein structure and flexibility from low...
Multiscale methods in computational fluid and solid mechanics
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
Computational hemodynamics theory, modelling and applications
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...
Efficient computation method of Jacobian matrix
International Nuclear Information System (INIS)
Sasaki, Shinobu
1995-05-01
As well known, the elements of the Jacobian matrix are complex trigonometric functions of the joint angles, resulting in a matrix of staggering complexity when we write it all out in one place. This article addresses that difficulties to this subject are overcome by using velocity representation. The main point is that its recursive algorithm and computer algebra technologies allow us to derive analytical formulation with no human intervention. Particularly, it is to be noted that as compared to previous results the elements are extremely simplified throughout the effective use of frame transformations. Furthermore, in case of a spherical wrist, it is shown that the present approach is computationally most efficient. Due to such advantages, the proposed method is useful in studying kinematically peculiar properties such as singularity problems. (author)
Computational method for free surface hydrodynamics
International Nuclear Information System (INIS)
Hirt, C.W.; Nichols, B.D.
1980-01-01
There are numerous flow phenomena in pressure vessel and piping systems that involve the dynamics of free fluid surfaces. For example, fluid interfaces must be considered during the draining or filling of tanks, in the formation and collapse of vapor bubbles, and in seismically shaken vessels that are partially filled. To aid in the analysis of these types of flow phenomena, a new technique has been developed for the computation of complicated free-surface motions. This technique is based on the concept of a local average volume of fluid (VOF) and is embodied in a computer program for two-dimensional, transient fluid flow called SOLA-VOF. The basic approach used in the VOF technique is briefly described, and compared to other free-surface methods. Specific capabilities of the SOLA-VOF program are illustrated by generic examples of bubble growth and collapse, flows of immiscible fluid mixtures, and the confinement of spilled liquids
Soft Computing Methods for Disulfide Connectivity Prediction.
Márquez-Chamorro, Alfonso E; Aguilar-Ruiz, Jesús S
2015-01-01
The problem of protein structure prediction (PSP) is one of the main challenges in structural bioinformatics. To tackle this problem, PSP can be divided into several subproblems. One of these subproblems is the prediction of disulfide bonds. The disulfide connectivity prediction problem consists in identifying which nonadjacent cysteines would be cross-linked from all possible candidates. Determining the disulfide bond connectivity between the cysteines of a protein is desirable as a previous step of the 3D PSP, as the protein conformational search space is highly reduced. The most representative soft computing approaches for the disulfide bonds connectivity prediction problem of the last decade are summarized in this paper. Certain aspects, such as the different methodologies based on soft computing approaches (artificial neural network or support vector machine) or features of the algorithms, are used for the classification of these methods.
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
Computational methods for three-dimensional microscopy reconstruction
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.
Computational methods for nuclear criticality safety analysis
International Nuclear Information System (INIS)
Maragni, M.G.
1992-01-01
Nuclear criticality safety analyses require the utilization of methods which have been tested and verified against benchmarks results. In this work, criticality calculations based on the KENO-IV and MCNP codes are studied aiming the qualification of these methods at the IPEN-CNEN/SP and COPESP. The utilization of variance reduction techniques is important to reduce the computer execution time, and several of them are analysed. As practical example of the above methods, a criticality safety analysis for the storage tubes for irradiated fuel elements from the IEA-R1 research has been carried out. This analysis showed that the MCNP code is more adequate for problems with complex geometries, and the KENO-IV code shows conservative results when it is not used the generalized geometry option. (author)
Egli, Pascal; Ayala, Alvaro; Buri, Pascal; Pellicciotti, Francesca
2016-04-01
A significant proportion of Himalayan glaciers is debris covered. Knowing the thickness of the debris cover is essential to obtain accurate estimates of melt rates. Due to the remoteness of these glaciers, collecting field measurements of debris thickness for a large number of glaciers is not realistic. For this reason, previous studies have proposed an approach based on computing the energy balance at the debris surface using surface temperature from satellite imagery together with meteorological data and solving the energy balance for debris thickness. These studies differ only in the way they account for the nonlinearity of debris temperature profiles and the heat stored in the debris layer. In our study we aim to 1) assess the performance of three existing models, and 2) develop a new methodology for calculating the conductive heat flux within the debris, which accounts for the history of debris temperature profiles by solving the advection-diffusion equation of heat numerically. Additionally, we found that in the previous studies several input variables are considered as uniform and we improved this by using distributed representations. As a study case we use Lirung glacier in Langtang valley, Nepal, and we work with Landsat satellite thermal images. Results are validated using measurements of debris thickness on the glacier from October 2012 and 2015. In some cases the existing models yield realistic results. But there is very little consistency between results for different satellite images. In general, computed debris thickness is frequently too thin compared to reality. Two of the existing models were able to accurately reproduce the extent of thin debris cover on the upper part of Lirung glacier. The mean debris thickness on Lirung obtained with the existing models lies between 0.1 m and 0.3 m depending on the model used, whereby the upper value of 0.3 m corresponds best to the field measurements. Preliminary results from our new model show a larger
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
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
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...
Disciplines, models, and computers: the path to computational quantum chemistry.
Lenhard, Johannes
2014-12-01
Many disciplines and scientific fields have undergone a computational turn in the past several decades. This paper analyzes this sort of turn by investigating the case of computational quantum chemistry. The main claim is that the transformation from quantum to computational quantum chemistry involved changes in three dimensions. First, on the side of instrumentation, small computers and a networked infrastructure took over the lead from centralized mainframe architecture. Second, a new conception of computational modeling became feasible and assumed a crucial role. And third, the field of computa- tional quantum chemistry became organized in a market-like fashion and this market is much bigger than the number of quantum theory experts. These claims will be substantiated by an investigation of the so-called density functional theory (DFT), the arguably pivotal theory in the turn to computational quantum chemistry around 1990.
Computational biomechanics for medicine imaging, modeling and computing
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.
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
Water demand forecasting: review of soft computing methods.
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.
Computer modeling of the gyrocon
International Nuclear Information System (INIS)
Tallerico, P.J.; Rankin, J.E.
1979-01-01
A gyrocon computer model is discussed in which the electron beam is followed from the gun output to the collector region. The initial beam may be selected either as a uniform circular beam or may be taken from the output of an electron gun simulated by the program of William Herrmannsfeldt. The fully relativistic equations of motion are then integrated numerically to follow the beam successively through a drift tunnel, a cylindrical rf beam deflection cavity, a combination drift space and magnetic bender region, and an output rf cavity. The parameters for each region are variable input data from a control file. The program calculates power losses in the cavity wall, power required by beam loading, power transferred from the beam to the output cavity fields, and electronic and overall efficiency. Space-charge effects are approximated if selected. Graphical displays of beam motions are produced. We discuss the Los Alamos Scientific Laboratory (LASL) prototype design as an example of code usage. The design shows a gyrocon of about two-thirds megawatt output at 450 MHz with up to 86% overall efficiency
Ratschek, H
2003-01-01
This undergraduate and postgraduate text will familiarise readers with interval arithmetic and related tools to gain reliable and validated results and logically correct decisions for a variety of geometric computations plus the means for alleviating the effects of the errors. It also considers computations on geometric point-sets, which are neither robust nor reliable in processing with standard methods. The authors provide two effective tools for obtaining correct results: (a) interval arithmetic, and (b) ESSA the new powerful algorithm which improves many geometric computations and makes th
The Fermilab central computing facility architectural model
International Nuclear Information System (INIS)
Nicholls, J.
1989-01-01
The goal of the current Central Computing Upgrade at Fermilab is to create a computing environment that maximizes total productivity, particularly for high energy physics analysis. The Computing Department and the Next Computer Acquisition Committee decided upon a model which includes five components: an interactive front-end, a Large-Scale Scientific Computer (LSSC, a mainframe computing engine), a microprocessor farm system, a file server, and workstations. With the exception of the file server, all segments of this model are currently in production: a VAX/VMS cluster interactive front-end, an Amdahl VM Computing engine, ACP farms, and (primarily) VMS workstations. This paper will discuss the implementation of the Fermilab Central Computing Facility Architectural Model. Implications for Code Management in such a heterogeneous environment, including issues such as modularity and centrality, will be considered. Special emphasis will be placed on connectivity and communications between the front-end, LSSC, and workstations, as practiced at Fermilab. (orig.)
The Fermilab Central Computing Facility architectural model
International Nuclear Information System (INIS)
Nicholls, J.
1989-05-01
The goal of the current Central Computing Upgrade at Fermilab is to create a computing environment that maximizes total productivity, particularly for high energy physics analysis. The Computing Department and the Next Computer Acquisition Committee decided upon a model which includes five components: an interactive front end, a Large-Scale Scientific Computer (LSSC, a mainframe computing engine), a microprocessor farm system, a file server, and workstations. With the exception of the file server, all segments of this model are currently in production: a VAX/VMS Cluster interactive front end, an Amdahl VM computing engine, ACP farms, and (primarily) VMS workstations. This presentation will discuss the implementation of the Fermilab Central Computing Facility Architectural Model. Implications for Code Management in such a heterogeneous environment, including issues such as modularity and centrality, will be considered. Special emphasis will be placed on connectivity and communications between the front-end, LSSC, and workstations, as practiced at Fermilab. 2 figs
Directory of Open Access Journals (Sweden)
De Backer LA
2011-11-01
Full Text Available LA De Backer1, WG Vos2, R Salgado3, JW De Backer2, A Devolder1, SL Verhulst1, R Claes1, PR Germonpré1, WA De Backer11Department of Respiratory Medicine, 2FluidDA, 3Department of Radiology, Antwerp University Hospital, Antwerp, BelgiumBackground: Salbutamol and ipratropium bromide improve lung function in patients with chronic obstructive pulmonary disease (COPD. However, their bronchodilating effect has not yet been compared in the central and distal airways. Functional imaging using computational fluid dynamics offers the possibility of making such a comparison. The objective of this study was to assess the effects of salbutamol and ipratropium bromide on the geometry and computational fluid dynamics-based resistance of the central and distal airways.Methods: Five patients with Global Initiative for Chronic Obstructive Lung Disease Stage III COPD were randomized to a single dose of salbutamol or ipratropium bromide in a crossover manner with a 1-week interval between treatments. Patients underwent lung function testing and a multislice computed tomography scan of the thorax that was used for functional imaging. Two hours after dosing, the patients again underwent lung function tests and repeat computed tomography.Results: Lung function parameters, including forced expiratory volume in 1 second, vital capacity, overall airway resistance, and specific airway resistance, changed significantly after administration of each product. On functional imaging, the bronchodilating effect was greater in the distal airways, with a corresponding drop in airway resistance, compared with the central airways. Salbutamol and ipratropium bromide were equally effective at first glance when looking at lung function tests, but when viewed in more detail with functional imaging, hyporesponsiveness could be shown for salbutamol in one patient. Salbutamol was more effective in the other patients.Conclusion: This pilot study gives an innovative insight into the modes of
Computational fluid dynamics modelling in cardiovascular medicine.
Morris, Paul D; Narracott, Andrew; von Tengg-Kobligk, Hendrik; Silva Soto, Daniel Alejandro; Hsiao, Sarah; Lungu, Angela; Evans, Paul; Bressloff, Neil W; Lawford, Patricia V; Hose, D Rodney; Gunn, Julian P
2016-01-01
This paper reviews the methods, benefits and challenges associated with the adoption and translation of computational fluid dynamics (CFD) modelling within cardiovascular medicine. CFD, a specialist area of mathematics and a branch of fluid mechanics, is used routinely in a diverse range of safety-critical engineering systems, which increasingly is being applied to the cardiovascular system. By facilitating rapid, economical, low-risk prototyping, CFD modelling has already revolutionised research and development of devices such as stents, valve prostheses, and ventricular assist devices. Combined with cardiovascular imaging, CFD simulation enables detailed characterisation of complex physiological pressure and flow fields and the computation of metrics which cannot be directly measured, for example, wall shear stress. CFD models are now being translated into clinical tools for physicians to use across the spectrum of coronary, valvular, congenital, myocardial and peripheral vascular diseases. CFD modelling is apposite for minimally-invasive patient assessment. Patient-specific (incorporating data unique to the individual) and multi-scale (combining models of different length- and time-scales) modelling enables individualised risk prediction and virtual treatment planning. This represents a significant departure from traditional dependence upon registry-based, population-averaged data. Model integration is progressively moving towards 'digital patient' or 'virtual physiological human' representations. When combined with population-scale numerical models, these models have the potential to reduce the cost, time and risk associated with clinical trials. The adoption of CFD modelling signals a new era in cardiovascular medicine. While potentially highly beneficial, a number of academic and commercial groups are addressing the associated methodological, regulatory, education- and service-related challenges. Published by the BMJ Publishing Group Limited. For permission
MacDonald, G; Mackenzie, J A; Nolan, M; Insall, R H
2016-03-15
In this paper, we devise a moving mesh finite element method for the approximate solution of coupled bulk-surface reaction-diffusion equations on an evolving two dimensional domain. Fundamental to the success of the method is the robust generation of bulk and surface meshes. For this purpose, we use a novel moving mesh partial differential equation (MMPDE) approach. The developed method is applied to model problems with known analytical solutions; these experiments indicate second-order spatial and temporal accuracy. Coupled bulk-surface problems occur frequently in many areas; in particular, in the modelling of eukaryotic cell migration and chemotaxis. We apply the method to a model of the two-way interaction of a migrating cell in a chemotactic field, where the bulk region corresponds to the extracellular region and the surface to the cell membrane.
Advanced soft computing diagnosis method for tumour grading.
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.
Quantum vertex model for reversible classical computing.
Chamon, C; Mucciolo, E R; Ruckenstein, A E; Yang, Z-C
2017-05-12
Mappings of classical computation onto statistical mechanics models have led to remarkable successes in addressing some complex computational problems. However, such mappings display thermodynamic phase transitions that may prevent reaching solution even for easy problems known to be solvable in polynomial time. Here we map universal reversible classical computations onto a planar vertex model that exhibits no bulk classical thermodynamic phase transition, independent of the computational circuit. Within our approach the solution of the computation is encoded in the ground state of the vertex model and its complexity is reflected in the dynamics of the relaxation of the system to its ground state. We use thermal annealing with and without 'learning' to explore typical computational problems. We also construct a mapping of the vertex model into the Chimera architecture of the D-Wave machine, initiating an approach to reversible classical computation based on state-of-the-art implementations of quantum annealing.
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.
Toward a computational model of hemostasis
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.
International Nuclear Information System (INIS)
Mahaffy, J.H.; Liles, D.R.; Bott, T.F.
1981-01-01
The numerical methods and physical models used in the Transient Reactor Analysis Code (TRAC) versions PD2 and PF1 are discussed. Particular emphasis is placed on TRAC-PF1, the version specifically designed to analyze small-break loss-of-coolant accidents
Computational Simulations and the Scientific Method
Kleb, Bil; Wood, Bill
2005-01-01
As scientific simulation software becomes more complicated, the scientific-software implementor's need for component tests from new model developers becomes more crucial. The community's ability to follow the basic premise of the Scientific Method requires independently repeatable experiments, and model innovators are in the best position to create these test fixtures. Scientific software developers also need to quickly judge the value of the new model, i.e., its cost-to-benefit ratio in terms of gains provided by the new model and implementation risks such as cost, time, and quality. This paper asks two questions. The first is whether other scientific software developers would find published component tests useful, and the second is whether model innovators think publishing test fixtures is a feasible approach.
The IceCube Computing Infrastructure Model
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 biology in the cloud: methods and new insights from computing at scale.
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.
Computational predictive methods for fracture and fatigue
Cordes, J.; Chang, A. T.; Nelson, N.; Kim, Y.
1994-09-01
The damage-tolerant design philosophy as used by aircraft industries enables aircraft components and aircraft structures to operate safely with minor damage, small cracks, and flaws. Maintenance and inspection procedures insure that damages developed during service remain below design values. When damage is found, repairs or design modifications are implemented and flight is resumed. Design and redesign guidelines, such as military specifications MIL-A-83444, have successfully reduced the incidence of damage and cracks. However, fatigue cracks continue to appear in aircraft well before the design life has expired. The F16 airplane, for instance, developed small cracks in the engine mount, wing support, bulk heads, the fuselage upper skin, the fuel shelf joints, and along the upper wings. Some cracks were found after 600 hours of the 8000 hour design service life and design modifications were required. Tests on the F16 plane showed that the design loading conditions were close to the predicted loading conditions. Improvements to analytic methods for predicting fatigue crack growth adjacent to holes, when multiple damage sites are present, and in corrosive environments would result in more cost-effective designs, fewer repairs, and fewer redesigns. The overall objective of the research described in this paper is to develop, verify, and extend the computational efficiency of analysis procedures necessary for damage tolerant design. This paper describes an elastic/plastic fracture method and an associated fatigue analysis method for damage tolerant design. Both methods are unique in that material parameters such as fracture toughness, R-curve data, and fatigue constants are not required. The methods are implemented with a general-purpose finite element package. Several proof-of-concept examples are given. With further development, the methods could be extended for analysis of multi-site damage, creep-fatigue, and corrosion fatigue problems.
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)
Tensor network method for reversible classical computation
Yang, Zhi-Cheng; Kourtis, Stefanos; Chamon, Claudio; Mucciolo, Eduardo R.; Ruckenstein, Andrei E.
2018-03-01
We develop a tensor network technique that can solve universal reversible classical computational problems, formulated as vertex models on a square lattice [Nat. Commun. 8, 15303 (2017), 10.1038/ncomms15303]. By encoding the truth table of each vertex constraint in a tensor, the total number of solutions compatible with partial inputs and outputs at the boundary can be represented as the full contraction of a tensor network. We introduce an iterative compression-decimation (ICD) scheme that performs this contraction efficiently. The ICD algorithm first propagates local constraints to longer ranges via repeated contraction-decomposition sweeps over all lattice bonds, thus achieving compression on a given length scale. It then decimates the lattice via coarse-graining tensor contractions. Repeated iterations of these two steps gradually collapse the tensor network and ultimately yield the exact tensor trace for large systems, without the need for manual control of tensor dimensions. Our protocol allows us to obtain the exact number of solutions for computations where a naive enumeration would take astronomically long times.
Pervasive Computing and Prosopopoietic Modelling
DEFF Research Database (Denmark)
Michelsen, Anders Ib
2011-01-01
the mid-20th century of a paradoxical distinction/complicity between the technical organisation of computed function and the human Being, in the sense of creative action upon such function. This paradoxical distinction/complicity promotes a chiastic (Merleau-Ponty) relationship of extension of one......This article treats the philosophical underpinnings of the notions of ubiquity and pervasive computing from a historical perspective. The current focus on these notions reflects the ever increasing impact of new media and the underlying complexity of computed function in the broad sense of ICT...... that have spread vertiginiously since Mark Weiser coined the term ‘pervasive’, e.g., digitalised sensoring, monitoring, effectuation, intelligence, and display. Whereas Weiser’s original perspective may seem fulfilled since computing is everywhere, in his and Seely Brown’s (1997) terms, ‘invisible...
Modules and methods for all photonic computing
Schultz, David R.; Ma, Chao Hung
2001-01-01
A method for all photonic computing, comprising the steps of: encoding a first optical/electro-optical element with a two dimensional mathematical function representing input data; illuminating the first optical/electro-optical element with a collimated beam of light; illuminating a second optical/electro-optical element with light from the first optical/electro-optical element, the second optical/electro-optical element having a characteristic response corresponding to an iterative algorithm useful for solving a partial differential equation; iteratively recirculating the signal through the second optical/electro-optical element with light from the second optical/electro-optical element for a predetermined number of iterations; and, after the predetermined number of iterations, optically and/or electro-optically collecting output data representing an iterative optical solution from the second optical/electro-optical element.
Optical design teaching by computing graphic methods
Vazquez-Molini, D.; Muñoz-Luna, J.; Fernandez-Balbuena, A. A.; Garcia-Botella, A.; Belloni, P.; Alda, J.
2012-10-01
One of the key challenges in the teaching of Optics is that students need to know not only the math of the optical design, but also, and more important, to grasp and understand the optics in a three-dimensional space. Having a clear image of the problem to solve is the first step in order to begin to solve that problem. Therefore to achieve that the students not only must know the equation of refraction law but they have also to understand how the main parameters of this law are interacting among them. This should be a major goal in the teaching course. Optical graphic methods are a valuable tool in this way since they have the advantage of visual information and the accuracy of a computer calculation.
Computational Models for Nonlinear Aeroelastic Systems, Phase I
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...
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
Computing homography with RANSAC algorithm: a novel method of registration
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.
Climate Ocean Modeling on Parallel Computers
Wang, P.; Cheng, B. N.; Chao, Y.
1998-01-01
Ocean modeling plays an important role in both understanding the current climatic conditions and predicting future climate change. However, modeling the ocean circulation at various spatial and temporal scales is a very challenging computational task.
Computational Intelligence. Mortality Models for the Actuary
Willemse, W.J.
2001-01-01
This thesis applies computational intelligence to the field of actuarial (insurance) science. In particular, this thesis deals with life insurance where mortality modelling is important. Actuaries use ancient models (mortality laws) from the nineteenth century, for example Gompertz' and Makeham's
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
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
Applications of computer modeling to fusion research
International Nuclear Information System (INIS)
Dawson, J.M.
1989-01-01
Progress achieved during this report period is presented on the following topics: Development and application of gyrokinetic particle codes to tokamak transport, development of techniques to take advantage of parallel computers; model dynamo and bootstrap current drive; and in general maintain our broad-based program in basic plasma physics and computer modeling
Large Scale Computations in Air Pollution Modelling
DEFF Research Database (Denmark)
Zlatev, Z.; Brandt, J.; Builtjes, P. J. H.
Proceedings of the NATO Advanced Research Workshop on Large Scale Computations in Air Pollution Modelling, Sofia, Bulgaria, 6-10 July 1998......Proceedings of the NATO Advanced Research Workshop on Large Scale Computations in Air Pollution Modelling, Sofia, Bulgaria, 6-10 July 1998...
Computer Aided Continuous Time Stochastic Process Modelling
DEFF Research Database (Denmark)
Kristensen, N.R.; Madsen, Henrik; Jørgensen, Sten Bay
2001-01-01
A grey-box approach to process modelling that combines deterministic and stochastic modelling is advocated for identification of models for model-based control of batch and semi-batch processes. A computer-aided tool designed for supporting decision-making within the corresponding modelling cycle...
Naeimi, M.; Li, Z.; Dollevoet, R.P.B.J.; Wu, J.; Petrov, R.H.; Sietsma, J.
2015-01-01
The coupled mechanical–thermal behaviour of wheel and rail materials under rolling contact is studied to determine the temperature rise due to the frictional heat. The wheel–rail frictional rolling contact problem is solved using the three–dimensional finite element (FE) method. The FE model
Computed tomography shielding methods: a literature review.
Curtis, Jessica Ryann
2010-01-01
To investigate available shielding methods in an effort to further awareness and understanding of existing preventive measures related to patient exposure in computed tomography (CT) scanning. Searches were conducted to locate literature discussing the effectiveness of commercially available shields. Literature containing information regarding breast, gonad, eye and thyroid shielding was identified. Because of rapidly advancing technology, the selection of articles was limited to those published within the past 5 years. The selected studies were examined using the following topics as guidelines: the effectiveness of the shield (percentage of dose reduction), the shield's effect on image quality, arguments for or against its use (including practicality) and overall recommendation for its use in clinical practice. Only a limited number of studies have been performed on the use of shields for the eyes, thyroid and gonads, but the evidence shows an overall benefit to their use. Breast shielding has been the most studied shielding method, with consistent agreement throughout the literature on its effectiveness at reducing radiation dose. The effect of shielding on image quality was not remarkable in a majority of studies. Although it is noted that more studies need to be conducted regarding the impact on image quality, the currently published literature stresses the importance of shielding in reducing dose. Commercially available shields for the breast, thyroid, eyes and gonads should be implemented in clinical practice. Further research is needed to ascertain the prevalence of shielding in the clinical setting.
Computer Based Modelling and Simulation
Indian Academy of Sciences (India)
where x increases from zero to N, the saturation value. Box 1. Matrix Meth- ... such as Laplace transforms and non-linear differential equa- tions with .... atomic bomb project in the. US in the early ... his work on game theory and computers.
Introduction to computation and modeling for differential equations
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
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.
Computational methods in calculating superconducting current problems
Brown, David John, II
Various computational problems in treating superconducting currents are examined. First, field inversion in spatial Fourier transform space is reviewed to obtain both one-dimensional transport currents flowing down a long thin tape, and a localized two-dimensional current. The problems associated with spatial high-frequency noise, created by finite resolution and experimental equipment, are presented, and resolved with a smooth Gaussian cutoff in spatial frequency space. Convergence of the Green's functions for the one-dimensional transport current densities is discussed, and particular attention is devoted to the negative effects of performing discrete Fourier transforms alone on fields asymptotically dropping like 1/r. Results of imaging simulated current densities are favorably compared to the original distributions after the resulting magnetic fields undergo the imaging procedure. The behavior of high-frequency spatial noise, and the behavior of the fields with a 1/r asymptote in the imaging procedure in our simulations is analyzed, and compared to the treatment of these phenomena in the published literature. Next, we examine calculation of Mathieu and spheroidal wave functions, solutions to the wave equation in elliptical cylindrical and oblate and prolate spheroidal coordinates, respectively. These functions are also solutions to Schrodinger's equations with certain potential wells, and are useful in solving time-varying superconducting problems. The Mathieu functions are Fourier expanded, and the spheroidal functions expanded in associated Legendre polynomials to convert the defining differential equations to recursion relations. The infinite number of linear recursion equations is converted to an infinite matrix, multiplied by a vector of expansion coefficients, thus becoming an eigenvalue problem. The eigenvalue problem is solved with root solvers, and the eigenvector problem is solved using a Jacobi-type iteration method, after preconditioning the
Energy Technology Data Exchange (ETDEWEB)
Kim, Moo Hwan; Seo, Kyoung Woo [POSTECH, Pohang (Korea, Republic of)
2001-03-15
In the probability approach, the calculated CCFPs of all the scenarios were zero, which meant that it was expected that for all the accident scenarios the maximum pressure load induced by DCH was lower than the containment failure pressure obtained from the fragility curve. Thus, it can be stated that the KSNP containment is robust to the DCH threat. And uncertainty of computer codes used to be two (deterministic and probabilistic) approaches were reduced by the sensitivity tests and the research with the verification and comparison of the DCH models in each code. So, this research was to evaluate synthetic result of DCH issue and expose accurate methodology to assess containment integrity about operating PWR in Korea.
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
Computational modeling and engineering in pediatric and congenital heart disease.
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.
Mathematical modeling and computational intelligence in engineering applications
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.
A Categorisation of Cloud Computing Business Models
Chang, Victor; Bacigalupo, David; Wills, Gary; De Roure, David
2010-01-01
This paper reviews current cloud computing business models and presents proposals on how organisations can achieve sustainability by adopting appropriate models. We classify cloud computing business models into eight types: (1) Service Provider and Service Orientation; (2) Support and Services Contracts; (3) In-House Private Clouds; (4) All-In-One Enterprise Cloud; (5) One-Stop Resources and Services; (6) Government funding; (7) Venture Capitals; and (8) Entertainment and Social Networking. U...
A computational model of selection by consequences.
McDowell, J J
2004-01-01
Darwinian selection by consequences was instantiated in a computational model that consisted of a repertoire of behaviors undergoing selection, reproduction, and mutation over many generations. The model in effect created a digital organism that emitted behavior continuously. The behavior of this digital organism was studied in three series of computational experiments that arranged reinforcement according to random-interval (RI) schedules. The quantitative features of the model were varied o...
Creation of 'Ukrytie' objects computer model
International Nuclear Information System (INIS)
Mazur, A.B.; Kotlyarov, V.T.; Ermolenko, A.I.; Podbereznyj, S.S.; Postil, S.D.; Shaptala, D.V.
1999-01-01
A partial computer model of the 'Ukrytie' object was created with the use of geoinformation technologies. The computer model makes it possible to carry out information support of the works related to the 'Ukrytie' object stabilization and its conversion into ecologically safe system for analyzing, forecasting and controlling the processes occurring in the 'Ukrytie' object. Elements and structures of the 'Ukryttia' object were designed and input into the model
Computational models in physics teaching: a framework
Directory of Open Access Journals (Sweden)
Marco Antonio Moreira
2012-08-01
Full Text Available The purpose of the present paper is to present a theoretical framework to promote and assist meaningful physics learning through computational models. Our proposal is based on the use of a tool, the AVM diagram, to design educational activities involving modeling and computer simulations. The idea is to provide a starting point for the construction and implementation of didactical approaches grounded in a coherent epistemological view about scientific modeling.
International Nuclear Information System (INIS)
Ren, Xiang; Seidel, Gary D; Chaurasia, Adarsh K; Oliva-Avilés, Andrés I; Ku-Herrera, José J; Avilés, Francis
2015-01-01
In uniaxial tension and compression experiments, carbon nanotube (CNT)-polymer nanocomposites have demonstrated exceptional mechanical and coupled electrostatic properties in the form of piezoresistivity. In order to better understand the correlation of the piezoresistive response with the CNT dispersion at the mesoscale, a 3D computational multiscale micromechanics model based on finite element analysis is constructed to predict the effective macroscale piezoresistive response of CNT/polymer nanocomposites. The key factors that may contribute to the overall piezoresistive response, i.e. the nanoscale electrical tunneling effect, the inherent CNT piezoresistivity and the CNT mesoscale network effect are incorporated in the model based on a 3D multiscale mechanical–electrostatic coupled code. The results not only explain how different nanoscale mechanisms influence the overall macroscale piezoresistive response through the mesoscale CNT network, but also give reason and provide bounds for the wide range of gauge factors found in the literature offering insight regarding how control of the mesoscale CNT networks can be used to tailor nanocomposite piezoresistive response. (paper)
Khelifa, Mohammed Rissel; Guessasma, Sofiane
2012-01-01
Abstract: This work combines experimental and numerical investigations to study the mechanical degradation of self-compacting concrete under accelerated aging conditions. Four different experimental treatments are tested among them constant immersion and immersion-drying protocols allow an efficient external sulfate attack of the material. Significant damage is observed due to interfacial ettringite. A predictive analysis is then adopted to quantify the relationship between ettringite growth and mechanical damage evolution during aging. Typical 3D microstructures representing the cement paste-aggregate structures are generated using Monte Carlo scheme. These images are converted into a finite element model to predict the mechanical performance under different criteria of damage kinetics. The effect of ettringite is then associated to the development of an interphase of lower mechanical properties. Our results show that the observed time evolution of Young's modulus is best described by a linear increase of the interphase content. Our model results indicate also that the interphase regions grow at maximum stress regions rather than exclusively at interfaces. Finally, constant immersion predicts a rate of damage growth five times lower than that of immersion-drying protocol. © 2012 Computer-Aided Civil and Infrastructure Engineering.
Khelifa, Mohammed Rissel
2012-12-27
Abstract: This work combines experimental and numerical investigations to study the mechanical degradation of self-compacting concrete under accelerated aging conditions. Four different experimental treatments are tested among them constant immersion and immersion-drying protocols allow an efficient external sulfate attack of the material. Significant damage is observed due to interfacial ettringite. A predictive analysis is then adopted to quantify the relationship between ettringite growth and mechanical damage evolution during aging. Typical 3D microstructures representing the cement paste-aggregate structures are generated using Monte Carlo scheme. These images are converted into a finite element model to predict the mechanical performance under different criteria of damage kinetics. The effect of ettringite is then associated to the development of an interphase of lower mechanical properties. Our results show that the observed time evolution of Young\\'s modulus is best described by a linear increase of the interphase content. Our model results indicate also that the interphase regions grow at maximum stress regions rather than exclusively at interfaces. Finally, constant immersion predicts a rate of damage growth five times lower than that of immersion-drying protocol. © 2012 Computer-Aided Civil and Infrastructure Engineering.
Energy models: methods and trends
Energy Technology Data Exchange (ETDEWEB)
Reuter, A [Division of Energy Management and Planning, Verbundplan, Klagenfurt (Austria); Kuehner, R [IER Institute for Energy Economics and the Rational Use of Energy, University of Stuttgart, Stuttgart (Germany); Wohlgemuth, N [Department of Economy, University of Klagenfurt, Klagenfurt (Austria)
1997-12-31
Energy environmental and economical systems do not allow for experimentation since this would be dangerous, too expensive or even impossible. Instead, mathematical models are applied for energy planning. Experimenting is replaced by varying the structure and some parameters of `energy models`, computing the values of depending parameters, comparing variations, and interpreting their outcomings. Energy models are as old as computers. In this article the major new developments in energy modeling will be pointed out. We distinguish between 3 reasons of new developments: progress in computer technology, methodological progress and novel tasks of energy system analysis and planning. 2 figs., 19 refs.
Energy models: methods and trends
International Nuclear Information System (INIS)
Reuter, A.; Kuehner, R.; Wohlgemuth, N.
1996-01-01
Energy environmental and economical systems do not allow for experimentation since this would be dangerous, too expensive or even impossible. Instead, mathematical models are applied for energy planning. Experimenting is replaced by varying the structure and some parameters of 'energy models', computing the values of depending parameters, comparing variations, and interpreting their outcomings. Energy models are as old as computers. In this article the major new developments in energy modeling will be pointed out. We distinguish between 3 reasons of new developments: progress in computer technology, methodological progress and novel tasks of energy system analysis and planning
Uncertainty in biology a computational modeling approach
Gomez-Cabrero, David
2016-01-01
Computational modeling of biomedical processes is gaining more and more weight in the current research into the etiology of biomedical problems and potential treatment strategies. Computational modeling allows to reduce, refine and replace animal experimentation as well as to translate findings obtained in these experiments to the human background. However these biomedical problems are inherently complex with a myriad of influencing factors, which strongly complicates the model building and validation process. This book wants to address four main issues related to the building and validation of computational models of biomedical processes: Modeling establishment under uncertainty Model selection and parameter fitting Sensitivity analysis and model adaptation Model predictions under uncertainty In each of the abovementioned areas, the book discusses a number of key-techniques by means of a general theoretical description followed by one or more practical examples. This book is intended for graduate stude...
Stochastic linear programming models, theory, and computation
Kall, Peter
2011-01-01
This new edition of Stochastic Linear Programming: Models, Theory and Computation has been brought completely up to date, either dealing with or at least referring to new material on models and methods, including DEA with stochastic outputs modeled via constraints on special risk functions (generalizing chance constraints, ICC’s and CVaR constraints), material on Sharpe-ratio, and Asset Liability Management models involving CVaR in a multi-stage setup. To facilitate use as a text, exercises are included throughout the book, and web access is provided to a student version of the authors’ SLP-IOR software. Additionally, the authors have updated the Guide to Available Software, and they have included newer algorithms and modeling systems for SLP. The book is thus suitable as a text for advanced courses in stochastic optimization, and as a reference to the field. From Reviews of the First Edition: "The book presents a comprehensive study of stochastic linear optimization problems and their applications. … T...
An introduction to computer simulation methods applications to physical systems
Gould, Harvey; Christian, Wolfgang
2007-01-01
Now in its third edition, this book teaches physical concepts using computer simulations. The text incorporates object-oriented programming techniques and encourages readers to develop good programming habits in the context of doing physics. Designed for readers at all levels , An Introduction to Computer Simulation Methods uses Java, currently the most popular programming language. Introduction, Tools for Doing Simulations, Simulating Particle Motion, Oscillatory Systems, Few-Body Problems: The Motion of the Planets, The Chaotic Motion of Dynamical Systems, Random Processes, The Dynamics of Many Particle Systems, Normal Modes and Waves, Electrodynamics, Numerical and Monte Carlo Methods, Percolation, Fractals and Kinetic Growth Models, Complex Systems, Monte Carlo Simulations of Thermal Systems, Quantum Systems, Visualization and Rigid Body Dynamics, Seeing in Special and General Relativity, Epilogue: The Unity of Physics For all readers interested in developing programming habits in the context of doing phy...
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.
Computational challenges in modeling gene regulatory events.
Pataskar, Abhijeet; Tiwari, Vijay K
2016-10-19
Cellular transcriptional programs driven by genetic and epigenetic mechanisms could be better understood by integrating "omics" data and subsequently modeling the gene-regulatory events. Toward this end, computational biology should keep pace with evolving experimental procedures and data availability. This article gives an exemplified account of the current computational challenges in molecular biology.
Directory of Open Access Journals (Sweden)
Jay Eifler
2014-02-01
Full Text Available Collagen molecules are the primary structural proteins of many biological systems. Much progress has been made in the study of the structure and function of collagen, but fundamental understanding of its electronic structures at the atomic level is still lacking. We present the results of electronic structure and bonding calculations of a specific model of type I collagen using the density functional theory-based method. Information on density of states (DOS, partial DOS, effective charges, bond order values, and intra- and inter-molecular H-bonding are obtained and discussed. We further devised an amino-acid-based potential method (AAPM to circumvent the full self-consistent field (SCF calculation that can be applied to large proteins. The AAPM is validated by comparing the results with the full SCF calculation of the whole type I collagen model with three strands. The calculated effective charges on each atom in the model retained at least 95% accuracy. This technique provides a viable and efficient way to study the electronic structure of large complex biomaterials at the ab initio level.
Computing and physical methods to calculate Pu
International Nuclear Information System (INIS)
Mohamed, Ashraf Elsayed Mohamed
2013-01-01
Main limitations due to the enhancement of the plutonium content are related to the coolant void effect as the spectrum becomes faster, the neutron flux in the thermal region tends towards zero and is concentrated in the region from 10 Ke to 1 MeV. Thus, all captures by 240 Pu and 242 Pu in the thermal and epithermal resonance disappear and the 240 Pu and 242 Pu contributions to the void effect became positive. The higher the Pu content and the poorer the Pu quality, the larger the void effect. The core control in nominal or transient conditions Pu enrichment leads to a decrease in (B eff.), the efficiency of soluble boron and control rods. Also, the Doppler effect tends to decrease when Pu replaces U, so, that in case of transients the core could diverge again if the control is not effective enough. As for the voiding effect, the plutonium degradation and the 240 Pu and 242 Pu accumulation after multiple recycling lead to spectrum hardening and to a decrease in control. One solution would be to use enriched boron in soluble boron and shutdown rods. In this paper, I discuss and show the advanced computing and physical methods to calculate Pu inside the nuclear reactors and glovebox and the different solutions to be used to overcome the difficulties that effect, on safety parameters and on reactor performance, and analysis the consequences of plutonium management on the whole fuel cycle like Raw materials savings, fraction of nuclear electric power involved in the Pu management. All through two types of scenario, one involving a low fraction of the nuclear park dedicated to plutonium management, the other involving a dilution of the plutonium in all the nuclear park. (author)
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.
Predictive Models and Computational Embryology
EPA’s ‘virtual embryo’ project is building an integrative systems biology framework for predictive models of developmental toxicity. One schema involves a knowledge-driven adverse outcome pathway (AOP) framework utilizing information from public databases, standardized ontologies...
Computational methods in sequence and structure prediction
Lang, Caiyi
This dissertation is organized into two parts. In the first part, we will discuss three computational methods for cis-regulatory element recognition in three different gene regulatory networks as the following: (a) Using a comprehensive "Phylogenetic Footprinting Comparison" method, we will investigate the promoter sequence structures of three enzymes (PAL, CHS and DFR) that catalyze sequential steps in the pathway from phenylalanine to anthocyanins in plants. Our result shows there exists a putative cis-regulatory element "AC(C/G)TAC(C)" in the upstream of these enzyme genes. We propose this cis-regulatory element to be responsible for the genetic regulation of these three enzymes and this element, might also be the binding site for MYB class transcription factor PAP1. (b) We will investigate the role of the Arabidopsis gene glutamate receptor 1.1 (AtGLR1.1) in C and N metabolism by utilizing the microarray data we obtained from AtGLR1.1 deficient lines (antiAtGLR1.1). We focus our investigation on the putatively co-regulated transcript profile of 876 genes we have collected in antiAtGLR1.1 lines. By (a) scanning the occurrence of several groups of known abscisic acid (ABA) related cisregulatory elements in the upstream regions of 876 Arabidopsis genes; and (b) exhaustive scanning of all possible 6-10 bps motif occurrence in the upstream regions of the same set of genes, we are able to make a quantative estimation on the enrichment level of each of the cis-regulatory element candidates. We finally conclude that one specific cis-regulatory element group, called "ABRE" elements, are statistically highly enriched within the 876-gene group as compared to their occurrence within the genome. (c) We will introduce a new general purpose algorithm, called "fuzzy REDUCE1", which we have developed recently for automated cis-regulatory element identification. In the second part, we will discuss our newly devised protein design framework. With this framework we have developed
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.
Computational methods for corpus annotation and analysis
Lu, Xiaofei
2014-01-01
This book reviews computational tools for lexical, syntactic, semantic, pragmatic and discourse analysis, with instructions on how to obtain, install and use each tool. Covers studies using Natural Language Processing, and offers ideas for better integration.
International Nuclear Information System (INIS)
1978-05-01
The Transient Reactor Analysis Code (TRAC) is being developed at the Los Alamos Scientific Laboratory (LASL) to provide an advanced ''best estimate'' predictive capability for the analysis of postulated accidents in light water reactors (LWRs). TRAC-Pl provides this analysis capability for pressurized water reactors (PWRs) and for a wide variety of thermal-hydraulic experimental facilities. It features a three-dimensional treatment of the pressure vessel and associated internals; two-phase nonequilibrium hydrodynamics models; flow-regime-dependent constitutive equation treatment; reflood tracking capability for both bottom flood and falling film quench fronts; and consistent treatment of entire accident sequences including the generation of consistent initial conditions. The TRAC-Pl User's Manual is composed of two separate volumes. Volume I gives a description of the thermal-hydraulic models and numerical solution methods used in the code. Detailed programming and user information is also provided. Volume II presents the results of the developmental verification calculations
Direct modeling for computational fluid dynamics
Xu, Kun
2015-06-01
All fluid dynamic equations are valid under their modeling scales, such as the particle mean free path and mean collision time scale of the Boltzmann equation and the hydrodynamic scale of the Navier-Stokes (NS) equations. The current computational fluid dynamics (CFD) focuses on the numerical solution of partial differential equations (PDEs), and its aim is to get the accurate solution of these governing equations. Under such a CFD practice, it is hard to develop a unified scheme that covers flow physics from kinetic to hydrodynamic scales continuously because there is no such governing equation which could make a smooth transition from the Boltzmann to the NS modeling. The study of fluid dynamics needs to go beyond the traditional numerical partial differential equations. The emerging engineering applications, such as air-vehicle design for near-space flight and flow and heat transfer in micro-devices, do require further expansion of the concept of gas dynamics to a larger domain of physical reality, rather than the traditional distinguishable governing equations. At the current stage, the non-equilibrium flow physics has not yet been well explored or clearly understood due to the lack of appropriate tools. Unfortunately, under the current numerical PDE approach, it is hard to develop such a meaningful tool due to the absence of valid PDEs. In order to construct multiscale and multiphysics simulation methods similar to the modeling process of constructing the Boltzmann or the NS governing equations, the development of a numerical algorithm should be based on the first principle of physical modeling. In this paper, instead of following the traditional numerical PDE path, we introduce direct modeling as a principle for CFD algorithm development. Since all computations are conducted in a discretized space with limited cell resolution, the flow physics to be modeled has to be done in the mesh size and time step scales. Here, the CFD is more or less a direct
Predictive Capability Maturity Model for computational modeling and simulation.
Energy Technology Data Exchange (ETDEWEB)
Oberkampf, William Louis; Trucano, Timothy Guy; Pilch, Martin M.
2007-10-01
The Predictive Capability Maturity Model (PCMM) is a new model that can be used to assess the level of maturity of computational modeling and simulation (M&S) efforts. The development of the model is based on both the authors experience and their analysis of similar investigations in the past. The perspective taken in this report is one of judging the usefulness of a predictive capability that relies on the numerical solution to partial differential equations to better inform and improve decision making. The review of past investigations, such as the Software Engineering Institute's Capability Maturity Model Integration and the National Aeronautics and Space Administration and Department of Defense Technology Readiness Levels, indicates that a more restricted, more interpretable method is needed to assess the maturity of an M&S effort. The PCMM addresses six contributing elements to M&S: (1) representation and geometric fidelity, (2) physics and material model fidelity, (3) code verification, (4) solution verification, (5) model validation, and (6) uncertainty quantification and sensitivity analysis. For each of these elements, attributes are identified that characterize four increasing levels of maturity. Importantly, the PCMM is a structured method for assessing the maturity of an M&S effort that is directed toward an engineering application of interest. The PCMM does not assess whether the M&S effort, the accuracy of the predictions, or the performance of the engineering system satisfies or does not satisfy specified application requirements.
Computer simulations of the random barrier model
DEFF Research Database (Denmark)
Schrøder, Thomas; Dyre, Jeppe
2002-01-01
A brief review of experimental facts regarding ac electronic and ionic conduction in disordered solids is given followed by a discussion of what is perhaps the simplest realistic model, the random barrier model (symmetric hopping model). Results from large scale computer simulations are presented...
Using Computational and Mechanical Models to Study Animal Locomotion
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 Modeling of Culture's Consequences
Hofstede, G.J.; Jonker, C.M.; Verwaart, T.
2010-01-01
This paper presents an approach to formalize the influence of culture on the decision functions of agents in social simulations. The key components are (a) a definition of the domain of study in the form of a decision model, (b) knowledge acquisition based on a dimensional theory of culture,
Computational aspects of premixing modelling
Energy Technology Data Exchange (ETDEWEB)
Fletcher, D.F. [Sydney Univ., NSW (Australia). Dept. of Chemical Engineering; Witt, P.J.
1998-01-01
In the steam explosion research field there is currently considerable effort being devoted to the modelling of premixing. Practically all models are based on the multiphase flow equations which treat the mixture as an interpenetrating continuum. Solution of these equations is non-trivial and a wide range of solution procedures are in use. This paper addresses some numerical aspects of this problem. In particular, we examine the effect of the differencing scheme for the convective terms and show that use of hybrid differencing can cause qualitatively wrong solutions in some situations. Calculations are performed for the Oxford tests, the BNL tests, a MAGICO test and to investigate various sensitivities of the solution. In addition, we show that use of a staggered grid can result in a significant error which leads to poor predictions of `melt` front motion. A correction is given which leads to excellent convergence to the analytic solution. Finally, we discuss the issues facing premixing model developers and highlight the fact that model validation is hampered more by the complexity of the process than by numerical issues. (author)
Computational modeling of concrete flow
DEFF Research Database (Denmark)
Roussel, Nicolas; Geiker, Mette Rica; Dufour, Frederic
2007-01-01
particle flow, and numerical techniques allowing the modeling of particles suspended in a fluid. The general concept behind each family of techniques is described. Pros and cons for each technique are given along with examples and references to applications to fresh cementitious materials....
Computer Modeling of Direct Metal Laser Sintering
Cross, Matthew
2014-01-01
A computational approach to modeling direct metal laser sintering (DMLS) additive manufacturing process is presented. The primary application of the model is for determining the temperature history of parts fabricated using DMLS to evaluate residual stresses found in finished pieces and to assess manufacturing process strategies to reduce part slumping. The model utilizes MSC SINDA as a heat transfer solver with imbedded FORTRAN computer code to direct laser motion, apply laser heating as a boundary condition, and simulate the addition of metal powder layers during part fabrication. Model results are compared to available data collected during in situ DMLS part manufacture.
Visual and Computational Modelling of Minority Games
Directory of Open Access Journals (Sweden)
Robertas Damaševičius
2017-02-01
Full Text Available The paper analyses the Minority Game and focuses on analysis and computational modelling of several variants (variable payoff, coalition-based and ternary voting of Minority Game using UAREI (User-Action-Rule-Entities-Interface model. UAREI is a model for formal specification of software gamification, and the UAREI visual modelling language is a language used for graphical representation of game mechanics. The URAEI model also provides the embedded executable modelling framework to evaluate how the rules of the game will work for the players in practice. We demonstrate flexibility of UAREI model for modelling different variants of Minority Game rules for game design.
Model to Implement Virtual Computing Labs via Cloud Computing Services
Directory of Open Access Journals (Sweden)
Washington Luna Encalada
2017-07-01
Full Text Available In recent years, we have seen a significant number of new technological ideas appearing in literature discussing the future of education. For example, E-learning, cloud computing, social networking, virtual laboratories, virtual realities, virtual worlds, massive open online courses (MOOCs, and bring your own device (BYOD are all new concepts of immersive and global education that have emerged in educational literature. One of the greatest challenges presented to e-learning solutions is the reproduction of the benefits of an educational institution’s physical laboratory. For a university without a computing lab, to obtain hands-on IT training with software, operating systems, networks, servers, storage, and cloud computing similar to that which could be received on a university campus computing lab, it is necessary to use a combination of technological tools. Such teaching tools must promote the transmission of knowledge, encourage interaction and collaboration, and ensure students obtain valuable hands-on experience. That, in turn, allows the universities to focus more on teaching and research activities than on the implementation and configuration of complex physical systems. In this article, we present a model for implementing ecosystems which allow universities to teach practical Information Technology (IT skills. The model utilizes what is called a “social cloud”, which utilizes all cloud computing services, such as Software as a Service (SaaS, Platform as a Service (PaaS, and Infrastructure as a Service (IaaS. Additionally, it integrates the cloud learning aspects of a MOOC and several aspects of social networking and support. Social clouds have striking benefits such as centrality, ease of use, scalability, and ubiquity, providing a superior learning environment when compared to that of a simple physical lab. The proposed model allows students to foster all the educational pillars such as learning to know, learning to be, learning
Computational modeling of epiphany learning.
Chen, Wei James; Krajbich, Ian
2017-05-02
Models of reinforcement learning (RL) are prevalent in the decision-making literature, but not all behavior seems to conform to the gradual convergence that is a central feature of RL. In some cases learning seems to happen all at once. Limited prior research on these "epiphanies" has shown evidence of sudden changes in behavior, but it remains unclear how such epiphanies occur. We propose a sequential-sampling model of epiphany learning (EL) and test it using an eye-tracking experiment. In the experiment, subjects repeatedly play a strategic game that has an optimal strategy. Subjects can learn over time from feedback but are also allowed to commit to a strategy at any time, eliminating all other options and opportunities to learn. We find that the EL model is consistent with the choices, eye movements, and pupillary responses of subjects who commit to the optimal strategy (correct epiphany) but not always of those who commit to a suboptimal strategy or who do not commit at all. Our findings suggest that EL is driven by a latent evidence accumulation process that can be revealed with eye-tracking data.
Computational Process Modeling for Additive Manufacturing (OSU)
Bagg, Stacey; Zhang, Wei
2015-01-01
Powder-Bed Additive Manufacturing (AM) through Direct Metal Laser Sintering (DMLS) or Selective Laser Melting (SLM) is being used by NASA and the Aerospace industry to "print" parts that traditionally are very complex, high cost, or long schedule lead items. The process spreads a thin layer of metal powder over a build platform, then melts the powder in a series of welds in a desired shape. The next layer of powder is applied, and the process is repeated until layer-by-layer, a very complex part can be built. This reduces cost and schedule by eliminating very complex tooling and processes traditionally used in aerospace component manufacturing. To use the process to print end-use items, NASA seeks to understand SLM material well enough to develop a method of qualifying parts for space flight operation. Traditionally, a new material process takes many years and high investment to generate statistical databases and experiential knowledge, but computational modeling can truncate the schedule and cost -many experiments can be run quickly in a model, which would take years and a high material cost to run empirically. This project seeks to optimize material build parameters with reduced time and cost through modeling.
Tutorial: Parallel Computing of Simulation Models for Risk Analysis.
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.
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.)
A computer method for spectral classification
International Nuclear Information System (INIS)
Appenzeller, I.; Zekl, H.
1978-01-01
The authors describe the start of an attempt to improve the accuracy of spectroscopic parallaxes by evaluating spectroscopic temperature and luminosity criteria such as those of the MK classification spectrograms which were analyzed automatically by means of a suitable computer program. (Auth.)
Computational structural biology: methods and applications
National Research Council Canada - National Science Library
Schwede, Torsten; Peitsch, Manuel Claude
2008-01-01
... sequencing reinforced the observation that structural information is needed to understand the detailed function and mechanism of biological molecules such as enzyme reactions and molecular recognition events. Furthermore, structures are obviously key to the design of molecules with new or improved functions. In this context, computational structural biology...
Laboratory Sequence in Computational Methods for Introductory Chemistry
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.
Computational models of airway branching morphogenesis.
Varner, Victor D; Nelson, Celeste M
2017-07-01
The bronchial network of the mammalian lung consists of millions of dichotomous branches arranged in a highly complex, space-filling tree. Recent computational models of branching morphogenesis in the lung have helped uncover the biological mechanisms that construct this ramified architecture. In this review, we focus on three different theoretical approaches - geometric modeling, reaction-diffusion modeling, and continuum mechanical modeling - and discuss how, taken together, these models have identified the geometric principles necessary to build an efficient bronchial network, as well as the patterning mechanisms that specify airway geometry in the developing embryo. We emphasize models that are integrated with biological experiments and suggest how recent progress in computational modeling has advanced our understanding of airway branching morphogenesis. Copyright © 2016 Elsevier Ltd. All rights reserved.
Computational multiscale modeling of intergranular cracking
International Nuclear Information System (INIS)
Simonovski, Igor; Cizelj, Leon
2011-01-01
A novel computational approach for simulation of intergranular cracks in a polycrystalline aggregate is proposed in this paper. The computational model includes a topological model of the experimentally determined microstructure of a 400 μm diameter stainless steel wire and automatic finite element discretization of the grains and grain boundaries. The microstructure was spatially characterized by X-ray diffraction contrast tomography and contains 362 grains and some 1600 grain boundaries. Available constitutive models currently include isotropic elasticity for the grain interior and cohesive behavior with damage for the grain boundaries. The experimentally determined lattice orientations are employed to distinguish between resistant low energy and susceptible high energy grain boundaries in the model. The feasibility and performance of the proposed computational approach is demonstrated by simulating the onset and propagation of intergranular cracking. The preliminary numerical results are outlined and discussed.
Modeling multimodal human-computer interaction
Obrenovic, Z.; Starcevic, D.
2004-01-01
Incorporating the well-known Unified Modeling Language into a generic modeling framework makes research on multimodal human-computer interaction accessible to a wide range off software engineers. Multimodal interaction is part of everyday human discourse: We speak, move, gesture, and shift our gaze
A Computational Model of Selection by Consequences
McDowell, J. J.
2004-01-01
Darwinian selection by consequences was instantiated in a computational model that consisted of a repertoire of behaviors undergoing selection, reproduction, and mutation over many generations. The model in effect created a digital organism that emitted behavior continuously. The behavior of this digital organism was studied in three series of…
Generating Computational Models for Serious Gaming
Westera, Wim
2018-01-01
Many serious games include computational models that simulate dynamic systems. These models promote enhanced interaction and responsiveness. Under the social web paradigm more and more usable game authoring tools become available that enable prosumers to create their own games, but the inclusion of
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)
Preliminary Phase Field Computational Model Development
Energy Technology Data Exchange (ETDEWEB)
Li, Yulan [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Hu, Shenyang Y. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Xu, Ke [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Suter, Jonathan D. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); McCloy, John S. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Johnson, Bradley R. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Ramuhalli, Pradeep [Pacific Northwest National Lab. (PNNL), Richland, WA (United States)
2014-12-15
This interim report presents progress towards the development of meso-scale models of magnetic behavior that incorporate microstructural information. Modeling magnetic signatures in irradiated materials with complex microstructures (such as structural steels) is a significant challenge. The complexity is addressed incrementally, using the monocrystalline Fe (i.e., ferrite) film as model systems to develop and validate initial models, followed by polycrystalline Fe films, and by more complicated and representative alloys. In addition, the modeling incrementally addresses inclusion of other major phases (e.g., martensite, austenite), minor magnetic phases (e.g., carbides, FeCr precipitates), and minor nonmagnetic phases (e.g., Cu precipitates, voids). The focus of the magnetic modeling is on phase-field models. The models are based on the numerical solution to the Landau-Lifshitz-Gilbert equation. From the computational standpoint, phase-field modeling allows the simulation of large enough systems that relevant defect structures and their effects on functional properties like magnetism can be simulated. To date, two phase-field models have been generated in support of this work. First, a bulk iron model with periodic boundary conditions was generated as a proof-of-concept to investigate major loop effects of single versus polycrystalline bulk iron and effects of single non-magnetic defects. More recently, to support the experimental program herein using iron thin films, a new model was generated that uses finite boundary conditions representing surfaces and edges. This model has provided key insights into the domain structures observed in magnetic force microscopy (MFM) measurements. Simulation results for single crystal thin-film iron indicate the feasibility of the model for determining magnetic domain wall thickness and mobility in an externally applied field. Because the phase-field model dimensions are limited relative to the size of most specimens used in
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.)
A survey of real face modeling methods
Liu, Xiaoyue; Dai, Yugang; He, Xiangzhen; Wan, Fucheng
2017-09-01
The face model has always been a research challenge in computer graphics, which involves the coordination of multiple organs in faces. This article explained two kinds of face modeling method which is based on the data driven and based on parameter control, analyzed its content and background, summarized their advantages and disadvantages, and concluded muscle model which is based on the anatomy of the principle has higher veracity and easy to drive.
Statistical physics and computational methods for evolutionary game theory
Javarone, Marco Alberto
2018-01-01
This book presents an introduction to Evolutionary Game Theory (EGT) which is an emerging field in the area of complex systems attracting the attention of researchers from disparate scientific communities. EGT allows one to represent and study several complex phenomena, such as the emergence of cooperation in social systems, the role of conformity in shaping the equilibrium of a population, and the dynamics in biological and ecological systems. Since EGT models belong to the area of complex systems, statistical physics constitutes a fundamental ingredient for investigating their behavior. At the same time, the complexity of some EGT models, such as those realized by means of agent-based methods, often require the implementation of numerical simulations. Therefore, beyond providing an introduction to EGT, this book gives a brief overview of the main statistical physics tools (such as phase transitions and the Ising model) and computational strategies for simulating evolutionary games (such as Monte Carlo algor...
Statistical methods and computing for big data
Wang, Chun; Chen, Ming-Hui; Schifano, Elizabeth; Wu, Jing
2016-01-01
Big data are data on a massive scale in terms of volume, intensity, and complexity that exceed the capacity of standard analytic tools. They present opportunities as well as challenges to statisticians. The role of computational statisticians in scientific discovery from big data analyses has been under-recognized even by peer statisticians. This article summarizes recent methodological and software developments in statistics that address the big data challenges. Methodologies are grouped into three classes: subsampling-based, divide and conquer, and online updating for stream data. As a new contribution, the online updating approach is extended to variable selection with commonly used criteria, and their performances are assessed in a simulation study with stream data. Software packages are summarized with focuses on the open source R and R packages, covering recent tools that help break the barriers of computer memory and computing power. Some of the tools are illustrated in a case study with a logistic regression for the chance of airline delay. PMID:27695593
Statistical methods and computing for big data.
Wang, Chun; Chen, Ming-Hui; Schifano, Elizabeth; Wu, Jing; Yan, Jun
2016-01-01
Big data are data on a massive scale in terms of volume, intensity, and complexity that exceed the capacity of standard analytic tools. They present opportunities as well as challenges to statisticians. The role of computational statisticians in scientific discovery from big data analyses has been under-recognized even by peer statisticians. This article summarizes recent methodological and software developments in statistics that address the big data challenges. Methodologies are grouped into three classes: subsampling-based, divide and conquer, and online updating for stream data. As a new contribution, the online updating approach is extended to variable selection with commonly used criteria, and their performances are assessed in a simulation study with stream data. Software packages are summarized with focuses on the open source R and R packages, covering recent tools that help break the barriers of computer memory and computing power. Some of the tools are illustrated in a case study with a logistic regression for the chance of airline delay.
Security Management Model in Cloud Computing Environment
Ahmadpanah, Seyed Hossein
2016-01-01
In the cloud computing environment, cloud virtual machine (VM) will be more and more the number of virtual machine security and management faced giant Challenge. In order to address security issues cloud computing virtualization environment, this paper presents a virtual machine based on efficient and dynamic deployment VM security management model state migration and scheduling, study of which virtual machine security architecture, based on AHP (Analytic Hierarchy Process) virtual machine de...
Light reflection models for computer graphics.
Greenberg, D P
1989-04-14
During the past 20 years, computer graphic techniques for simulating the reflection of light have progressed so that today images of photorealistic quality can be produced. Early algorithms considered direct lighting only, but global illumination phenomena with indirect lighting, surface interreflections, and shadows can now be modeled with ray tracing, radiosity, and Monte Carlo simulations. This article describes the historical development of computer graphic algorithms for light reflection and pictorially illustrates what will be commonly available in the near future.
Do's and Don'ts of Computer Models for Planning
Hammond, John S., III
1974-01-01
Concentrates on the managerial issues involved in computer planning models. Describes what computer planning models are and the process by which managers can increase the likelihood of computer planning models being successful in their organizations. (Author/DN)
Quantum Vertex Model for Reversible Classical Computing
Chamon, Claudio; Mucciolo, Eduardo; Ruckenstein, Andrei; Yang, Zhicheng
We present a planar vertex model that encodes the result of a universal reversible classical computation in its ground state. The approach involves Boolean variables (spins) placed on links of a two-dimensional lattice, with vertices representing logic gates. Large short-ranged interactions between at most two spins implement the operation of each gate. The lattice is anisotropic with one direction corresponding to computational time, and with transverse boundaries storing the computation's input and output. The model displays no finite temperature phase transitions, including no glass transitions, independent of circuit. The computational complexity is encoded in the scaling of the relaxation rate into the ground state with the system size. We use thermal annealing and a novel and more efficient heuristic \\x9Dannealing with learning to study various computational problems. To explore faster relaxation routes, we construct an explicit mapping of the vertex model into the Chimera architecture of the D-Wave machine, initiating a novel approach to reversible classical computation based on quantum annealing.
Explorative methods in linear models
DEFF Research Database (Denmark)
Høskuldsson, Agnar
2004-01-01
The author has developed the H-method of mathematical modeling that builds up the model by parts, where each part is optimized with respect to prediction. Besides providing with better predictions than traditional methods, these methods provide with graphic procedures for analyzing different feat...... features in data. These graphic methods extend the well-known methods and results of Principal Component Analysis to any linear model. Here the graphic procedures are applied to linear regression and Ridge Regression....
Computational disease modeling – fact or fiction?
Directory of Open Access Journals (Sweden)
Stephan Klaas
2009-06-01
Full Text Available Abstract Background Biomedical research is changing due to the rapid accumulation of experimental data at an unprecedented scale, revealing increasing degrees of complexity of biological processes. Life Sciences are facing a transition from a descriptive to a mechanistic approach that reveals principles of cells, cellular networks, organs, and their interactions across several spatial and temporal scales. There are two conceptual traditions in biological computational-modeling. The bottom-up approach emphasizes complex intracellular molecular models and is well represented within the systems biology community. On the other hand, the physics-inspired top-down modeling strategy identifies and selects features of (presumably essential relevance to the phenomena of interest and combines available data in models of modest complexity. Results The workshop, "ESF Exploratory Workshop on Computational disease Modeling", examined the challenges that computational modeling faces in contributing to the understanding and treatment of complex multi-factorial diseases. Participants at the meeting agreed on two general conclusions. First, we identified the critical importance of developing analytical tools for dealing with model and parameter uncertainty. Second, the development of predictive hierarchical models spanning several scales beyond intracellular molecular networks was identified as a major objective. This contrasts with the current focus within the systems biology community on complex molecular modeling. Conclusion During the workshop it became obvious that diverse scientific modeling cultures (from computational neuroscience, theory, data-driven machine-learning approaches, agent-based modeling, network modeling and stochastic-molecular simulations would benefit from intense cross-talk on shared theoretical issues in order to make progress on clinically relevant problems.
GRAVTool, a Package to Compute Geoid Model by Remove-Compute-Restore Technique
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).
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
Modeling with data tools and techniques for scientific computing
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
Advanced Computational Methods for Monte Carlo Calculations
Energy Technology Data Exchange (ETDEWEB)
Brown, Forrest B. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
2018-01-12
This course is intended for graduate students who already have a basic understanding of Monte Carlo methods. It focuses on advanced topics that may be needed for thesis research, for developing new state-of-the-art methods, or for working with modern production Monte Carlo codes.
Models and methods in thermoluminescence
International Nuclear Information System (INIS)
Furetta, C.
2005-01-01
This work contains a conference that was treated about the principles of the luminescence phenomena, the mathematical treatment concerning the thermoluminescent emission of light as well as the Randall-Wilkins model, the Garlick-Gibson model, the Adirovitch model, the May-Partridge model, the Braunlich-Scharman model, the mixed first and second order kinetics, the methods for evaluating the kinetics parameters such as the initial rise method, the various heating rates method, the isothermal decay method and those methods based on the analysis of the glow curve shape. (Author)
Models and methods in thermoluminescence
Energy Technology Data Exchange (ETDEWEB)
Furetta, C. [ICN, UNAM, A.P. 70-543, Mexico D.F. (Mexico)
2005-07-01
This work contains a conference that was treated about the principles of the luminescence phenomena, the mathematical treatment concerning the thermoluminescent emission of light as well as the Randall-Wilkins model, the Garlick-Gibson model, the Adirovitch model, the May-Partridge model, the Braunlich-Scharman model, the mixed first and second order kinetics, the methods for evaluating the kinetics parameters such as the initial rise method, the various heating rates method, the isothermal decay method and those methods based on the analysis of the glow curve shape. (Author)
Reference depth for geostrophic computation - A new method
Digital Repository Service at National Institute of Oceanography (India)
Varkey, M.J.; Sastry, J.S.
Various methods are available for the determination of reference depth for geostrophic computation. A new method based on the vertical profiles of mean and variance of the differences of mean specific volume anomaly (delta x 10) for different layers...
Lattice Boltzmann method fundamentals and engineering applications with computer codes
Mohamad, A A
2014-01-01
Introducing the Lattice Boltzmann Method in a readable manner, this book provides detailed examples with complete computer codes. It avoids the most complicated mathematics and physics without scarifying the basic fundamentals of the method.
Towards The Deep Model : Understanding Visual Recognition Through Computational Models
Wang, Panqu
2017-01-01
Understanding how visual recognition is achieved in the human brain is one of the most fundamental questions in vision research. In this thesis I seek to tackle this problem from a neurocomputational modeling perspective. More specifically, I build machine learning-based models to simulate and explain cognitive phenomena related to human visual recognition, and I improve computational models using brain-inspired principles to excel at computer vision tasks.I first describe how a neurocomputat...
Time series modeling, computation, and inference
Prado, Raquel
2010-01-01
The authors systematically develop a state-of-the-art analysis and modeling of time series. … this book is well organized and well written. The authors present various statistical models for engineers to solve problems in time series analysis. Readers no doubt will learn state-of-the-art techniques from this book.-Hsun-Hsien Chang, Computing Reviews, March 2012My favorite chapters were on dynamic linear models and vector AR and vector ARMA models.-William Seaver, Technometrics, August 2011… a very modern entry to the field of time-series modelling, with a rich reference list of the current lit
An Augmented Fast Marching Method for Computing Skeletons and Centerlines
Telea, Alexandru; Wijk, Jarke J. van
2002-01-01
We present a simple and robust method for computing skeletons for arbitrary planar objects and centerlines for 3D objects. We augment the Fast Marching Method (FMM) widely used in level set applications by computing the paramterized boundary location every pixel came from during the boundary
Classical versus Computer Algebra Methods in Elementary Geometry
Pech, Pavel
2005-01-01
Computer algebra methods based on results of commutative algebra like Groebner bases of ideals and elimination of variables make it possible to solve complex, elementary and non elementary problems of geometry, which are difficult to solve using a classical approach. Computer algebra methods permit the proof of geometric theorems, automatic…
Biomedical Imaging and Computational Modeling in Biomechanics
Iacoviello, Daniela
2013-01-01
This book collects the state-of-art and new trends in image analysis and biomechanics. It covers a wide field of scientific and cultural topics, ranging from remodeling of bone tissue under the mechanical stimulus up to optimizing the performance of sports equipment, through the patient-specific modeling in orthopedics, microtomography and its application in oral and implant research, computational modeling in the field of hip prostheses, image based model development and analysis of the human knee joint, kinematics of the hip joint, micro-scale analysis of compositional and mechanical properties of dentin, automated techniques for cervical cell image analysis, and iomedical imaging and computational modeling in cardiovascular disease. The book will be of interest to researchers, Ph.D students, and graduate students with multidisciplinary interests related to image analysis and understanding, medical imaging, biomechanics, simulation and modeling, experimental analysis.
Computational algebraic geometry of epidemic models
Rodríguez Vega, Martín.
2014-06-01
Computational Algebraic Geometry is applied to the analysis of various epidemic models for Schistosomiasis and Dengue, both, for the case without control measures and for the case where control measures are applied. The models were analyzed using the mathematical software Maple. Explicitly the analysis is performed using Groebner basis, Hilbert dimension and Hilbert polynomials. These computational tools are included automatically in Maple. Each of these models is represented by a system of ordinary differential equations, and for each model the basic reproductive number (R0) is calculated. The effects of the control measures are observed by the changes in the algebraic structure of R0, the changes in Groebner basis, the changes in Hilbert dimension, and the changes in Hilbert polynomials. It is hoped that the results obtained in this paper become of importance for designing control measures against the epidemic diseases described. For future researches it is proposed the use of algebraic epidemiology to analyze models for airborne and waterborne diseases.
Simulation model of load balancing in distributed computing systems
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.
Computational Method for Atomistic-Continuum Homogenization
National Research Council Canada - National Science Library
Chung, Peter
2002-01-01
The homogenization method is used as a framework for developing a multiscale system of equations involving atoms at zero temperature at the small scale and continuum mechanics at the very large scale...
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...
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)
Choosing Learning Methods Suitable for Teaching and Learning in Computer Science
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…
Computational methods in wind power meteorology
Energy Technology Data Exchange (ETDEWEB)
Hoffmann Joergensen, B.; Ott, S.; Mann, J.; Badger, J.
2006-06-15
Subsets of measured wind data from the Hjardemael field experiment are extracted in order to produce test cases representing nearly stationary, neutral conditions with well defined upstream flow. Model solutions of the Reynolds Averaged Navier-Stokes (RANS) equations are obtained by utilizing the numerical flow solver EllipSys3D. When utilizing the well-knowh k - e model as a turbulence closure, the result is a nearly complete agreement between the measurements and the model solution - not only for the forward flow but also for the separating backward flow over the Hjardemael escarpment. Smal1 deviations can be understood from analyzing the conditions of the field experiment. It is of vital importance to understand the conditions under which the flow solver yields accurate solutions, in particular with respect to the grid generation, which was performed with the hyperbolic grid generator HypGrid2D/3D. The grid must allow the model to represent the underlying physics of the flow problem and the grid resolution must be sufficient to produce grid independent solutions. This fields not only the correct mean velocity but also the correct Turbulent Kinetic Energy (TKE). Devitations of the TKE in the zone very close to onset of separation can be understood by addressing the assumptions of a zero horizontal pressure gradient in the momentum balance near the surface. It is argued on basis of the obtained results that the model can be extended to non-neutral conditions and more complex terrain. The difficulties in using existing measurement data from a sparsely instrumented site, Porto, in complex terrain in Portugal for evaluating the model is demonstrated. Suggestions are offered to assist future field work incorporating wind measurements for complex terrain and non-neutral conditions in order to evaluate numerical flow models. (au)
Computing thermal Wigner densities with the phase integration method
International Nuclear Information System (INIS)
Beutier, J.; Borgis, D.; Vuilleumier, R.; Bonella, S.
2014-01-01
We discuss how the Phase Integration Method (PIM), recently developed to compute symmetrized time correlation functions [M. Monteferrante, S. Bonella, and G. Ciccotti, Mol. Phys. 109, 3015 (2011)], can be adapted to sampling/generating the thermal Wigner density, a key ingredient, for example, in many approximate schemes for simulating quantum time dependent properties. PIM combines a path integral representation of the density with a cumulant expansion to represent the Wigner function in a form calculable via existing Monte Carlo algorithms for sampling noisy probability densities. The method is able to capture highly non-classical effects such as correlation among the momenta and coordinates parts of the density, or correlations among the momenta themselves. By using alternatives to cumulants, it can also indicate the presence of negative parts of the Wigner density. Both properties are demonstrated by comparing PIM results to those of reference quantum calculations on a set of model problems
Computing thermal Wigner densities with the phase integration method.
Beutier, J; Borgis, D; Vuilleumier, R; Bonella, S
2014-08-28
We discuss how the Phase Integration Method (PIM), recently developed to compute symmetrized time correlation functions [M. Monteferrante, S. Bonella, and G. Ciccotti, Mol. Phys. 109, 3015 (2011)], can be adapted to sampling/generating the thermal Wigner density, a key ingredient, for example, in many approximate schemes for simulating quantum time dependent properties. PIM combines a path integral representation of the density with a cumulant expansion to represent the Wigner function in a form calculable via existing Monte Carlo algorithms for sampling noisy probability densities. The method is able to capture highly non-classical effects such as correlation among the momenta and coordinates parts of the density, or correlations among the momenta themselves. By using alternatives to cumulants, it can also indicate the presence of negative parts of the Wigner density. Both properties are demonstrated by comparing PIM results to those of reference quantum calculations on a set of model problems.
Computational methods for ab initio detection of microRNAs
Directory of Open Access Journals (Sweden)
Malik eYousef
2012-10-01
Full Text Available MicroRNAs are small RNA sequences of 18-24 nucleotides in length, which serve as templates to drive post transcriptional gene silencing. The canonical microRNA pathway starts with transcription from DNA and is followed by processing via the Microprocessor complex, yielding a hairpin structure. Which is then exported into the cytosol where it is processed by Dicer and then incorporated into the RNA induced silencing complex. All of these biogenesis steps add to the overall specificity of miRNA production and effect. Unfortunately, their modes of action are just beginning to be elucidated and therefore computational prediction algorithms cannot model the process but are usually forced to employ machine learning approaches. This work focuses on ab initio prediction methods throughout; and therefore homology-based miRNA detection methods are not discussed. Current ab initio prediction algorithms, their ties to data mining, and their prediction accuracy are detailed.
A novel dual energy method for enhanced quantitative computed tomography
Emami, A.; Ghadiri, H.; Rahmim, A.; Ay, M. R.
2018-01-01
Accurate assessment of bone mineral density (BMD) is critically important in clinical practice, and conveniently enabled via quantitative computed tomography (QCT). Meanwhile, dual-energy QCT (DEQCT) enables enhanced detection of small changes in BMD relative to single-energy QCT (SEQCT). In the present study, we aimed to investigate the accuracy of QCT methods, with particular emphasis on a new dual-energy approach, in comparison to single-energy and conventional dual-energy techniques. We used a sinogram-based analytical CT simulator to model the complete chain of CT data acquisitions, and assessed performance of SEQCT and different DEQCT techniques in quantification of BMD. We demonstrate a 120% reduction in error when using a proposed dual-energy Simultaneous Equation by Constrained Least-squares method, enabling more accurate bone mineral measurements.
Computer tomography of flows external to test models
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.
Applied Mathematics, Modelling and Computational Science
Kotsireas, Ilias; Makarov, Roman; Melnik, Roderick; Shodiev, Hasan
2015-01-01
The Applied Mathematics, Modelling, and Computational Science (AMMCS) conference aims to promote interdisciplinary research and collaboration. The contributions in this volume cover the latest research in mathematical and computational sciences, modeling, and simulation as well as their applications in natural and social sciences, engineering and technology, industry, and finance. The 2013 conference, the second in a series of AMMCS meetings, was held August 26–30 and organized in cooperation with AIMS and SIAM, with support from the Fields Institute in Toronto, and Wilfrid Laurier University. There were many young scientists at AMMCS-2013, both as presenters and as organizers. This proceedings contains refereed papers contributed by the participants of the AMMCS-2013 after the conference. This volume is suitable for researchers and graduate students, mathematicians and engineers, industrialists, and anyone who would like to delve into the interdisciplinary research of applied and computational mathematics ...
Description of mathematical models and computer programs
International Nuclear Information System (INIS)
1977-01-01
The paper gives a description of mathematical models and computer programs for analysing possible strategies for spent fuel management, with emphasis on economic analysis. The computer programs developed, describe the material flows, facility construction schedules, capital investment schedules and operating costs for the facilities used in managing the spent fuel. The computer programs use a combination of simulation and optimization procedures for the economic analyses. Many of the fuel cycle steps (such as spent fuel discharges, storage at the reactor, and transport to the RFCC) are described in physical and economic terms through simulation modeling, while others (such as reprocessing plant size and commissioning schedules, interim storage facility commissioning schedules etc.) are subjected to economic optimization procedures to determine the approximate lowest-cost plans from among the available feasible alternatives
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...
Modeling inputs to computer models used in risk assessment
International Nuclear Information System (INIS)
Iman, R.L.
1987-01-01
Computer models for various risk assessment applications are closely scrutinized both from the standpoint of questioning the correctness of the underlying mathematical model with respect to the process it is attempting to model and from the standpoint of verifying that the computer model correctly implements the underlying mathematical model. A process that receives less scrutiny, but is nonetheless of equal importance, concerns the individual and joint modeling of the inputs. This modeling effort clearly has a great impact on the credibility of results. Model characteristics are reviewed in this paper that have a direct bearing on the model input process and reasons are given for using probabilities-based modeling with the inputs. The authors also present ways to model distributions for individual inputs and multivariate input structures when dependence and other constraints may be present
A hybrid method for the parallel computation of Green's functions
International Nuclear Information System (INIS)
Petersen, Dan Erik; Li Song; Stokbro, Kurt; Sorensen, Hans Henrik B.; Hansen, Per Christian; Skelboe, Stig; Darve, Eric
2009-01-01
Quantum transport models for nanodevices using the non-equilibrium Green's function method require the repeated calculation of the block tridiagonal part of the Green's and lesser Green's function matrices. This problem is related to the calculation of the inverse of a sparse matrix. Because of the large number of times this calculation needs to be performed, this is computationally very expensive even on supercomputers. The classical approach is based on recurrence formulas which cannot be efficiently parallelized. This practically prevents the solution of large problems with hundreds of thousands of atoms. We propose new recurrences for a general class of sparse matrices to calculate Green's and lesser Green's function matrices which extend formulas derived by Takahashi and others. We show that these recurrences may lead to a dramatically reduced computational cost because they only require computing a small number of entries of the inverse matrix. Then, we propose a parallelization strategy for block tridiagonal matrices which involves a combination of Schur complement calculations and cyclic reduction. It achieves good scalability even on problems of modest size.
Parallel computation of multigroup reactivity coefficient using iterative method
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.
Computer Modelling of Photochemical Smog Formation
Huebert, Barry J.
1974-01-01
Discusses a computer program that has been used in environmental chemistry courses as an example of modelling as a vehicle for teaching chemical dynamics, and as a demonstration of some of the factors which affect the production of smog. (Author/GS)
A Computational Model of Fraction Arithmetic
Braithwaite, David W.; Pyke, Aryn A.; Siegler, Robert S.
2017-01-01
Many children fail to master fraction arithmetic even after years of instruction, a failure that hinders their learning of more advanced mathematics as well as their occupational success. To test hypotheses about why children have so many difficulties in this area, we created a computational model of fraction arithmetic learning and presented it…
Model Checking - Automated Verification of Computational Systems
Indian Academy of Sciences (India)
Home; Journals; Resonance – Journal of Science Education; Volume 14; Issue 7. Model Checking - Automated Verification of Computational Systems. Madhavan Mukund. General Article Volume 14 Issue 7 July 2009 pp 667-681. Fulltext. Click here to view fulltext PDF. Permanent link:
Computer Modeling of Platinum Reforming Reactors | Momoh ...
African Journals Online (AJOL)
This paper, instead of using a theoretical approach has considered a computer model as means of assessing the reformate composition for three-stage fixed bed reactors in platforming unit. This is done by identifying many possible hydrocarbon transformation reactions that are peculiar to the process unit, identify the ...
Computer modeling of lung cancer diagnosis-to-treatment process.
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.
Instrument design optimization with computational methods
Energy Technology Data Exchange (ETDEWEB)
Moore, Michael H. [Old Dominion Univ., Norfolk, VA (United States)
2017-08-01
Using Finite Element Analysis to approximate the solution of differential equations, two different instruments in experimental Hall C at the Thomas Jefferson National Accelerator Facility are analyzed. The time dependence of density uctuations from the liquid hydrogen (LH2) target used in the Q_{wea}k experiment (2011-2012) are studied with Computational Fluid Dynamics (CFD) and the simulation results compared to data from the experiment. The 2.5 kW liquid hydrogen target was the highest power LH2 target in the world and the first to be designed with CFD at Jefferson Lab. The first complete magnetic field simulation of the Super High Momentum Spectrometer (SHMS) is presented with a focus on primary electron beam deflection downstream of the target. The SHMS consists of a superconducting horizontal bending magnet (HB) and three superconducting quadrupole magnets. The HB allows particles scattered at an angle of 5:5 deg to the beam line to be steered into the quadrupole magnets which make up the optics of the spectrometer. Without mitigation, remnant fields from the SHMS may steer the unscattered beam outside of the acceptable envelope on the beam dump and limit beam operations at small scattering angles. A solution is proposed using optimal placement of a minimal amount of shielding iron around the beam line.
Computer methods in physics 250 problems with guided solutions
Landau, Rubin H
2018-01-01
Our future scientists and professionals must be conversant in computational techniques. In order to facilitate integration of computer methods into existing physics courses, this textbook offers a large number of worked examples and problems with fully guided solutions in Python as well as other languages (Mathematica, Java, C, Fortran, and Maple). Its also intended as a self-study guide for learning how to use computer methods in physics. The authors include an introductory chapter on numerical tools and indication of computational and physics difficulty level for each problem.
Methodology for characterizing modeling and discretization uncertainties in computational simulation
Energy Technology Data Exchange (ETDEWEB)
ALVIN,KENNETH F.; OBERKAMPF,WILLIAM L.; RUTHERFORD,BRIAN M.; DIEGERT,KATHLEEN V.
2000-03-01
This research effort focuses on methodology for quantifying the effects of model uncertainty and discretization error on computational modeling and simulation. The work is directed towards developing methodologies which treat model form assumptions within an overall framework for uncertainty quantification, for the purpose of developing estimates of total prediction uncertainty. The present effort consists of work in three areas: framework development for sources of uncertainty and error in the modeling and simulation process which impact model structure; model uncertainty assessment and propagation through Bayesian inference methods; and discretization error estimation within the context of non-deterministic analysis.
DEFF Research Database (Denmark)
Novitsky, Andrey; de Lasson, Jakob Rosenkrantz; Frandsen, Lars Hagedorn
2017-01-01
Five state-of-the-art computational methods are benchmarked by computing quality factors and resonance wavelengths in photonic crystal membrane L5 and L9 line defect cavities. The convergence of the methods with respect to resolution, degrees of freedom and number of modes is investigated. Specia...
Understanding Emergency Care Delivery Through Computer Simulation Modeling.
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.
Computational Methods for Physicists Compendium for Students
Sirca, Simon
2012-01-01
This book helps advanced undergraduate, graduate and postdoctoral students in their daily work by offering them a compendium of numerical methods. The choice of methods pays significant attention to error estimates, stability and convergence issues as well as to the ways to optimize program execution speeds. Many examples are given throughout the chapters, and each chapter is followed by at least a handful of more comprehensive problems which may be dealt with, for example, on a weekly basis in a one- or two-semester course. In these end-of-chapter problems the physics background is pronounced, and the main text preceding them is intended as an introduction or as a later reference. Less stress is given to the explanation of individual algorithms. It is tried to induce in the reader an own independent thinking and a certain amount of scepticism and scrutiny instead of blindly following readily available commercial tools.
Measurement method of cardiac computed tomography (CT)
International Nuclear Information System (INIS)
Watanabe, Shigeru; Yamamoto, Hironori; Yumura, Yasuo; Yoshida, Hideo; Morooka, Nobuhiro
1980-01-01
The CT was carried out in 126 cases consisting of 31 normals, 17 cases of mitral stenosis (MS), 8 cases of mitral regurgitation (MR), 11 cases of aortic stenosis (AS), 9 cases of aortic regurgitation (AR), 20 cases of myocardial infarction (MI), 8 cases of atrial septal defect (ASD) and 22 hypertensives. The 20-second scans were performed every 1.5 cm from the 2nd intercostal space to the 5th or 6th intercostal space. The computed tomograms obtained were classified into 8 levels by cross-sectional anatomy; levels of (1) the aortic arch, (2) just beneath the aortic arch, (3) the pulmonary artery bifurcation, (4) the right atrial appendage or the upper right atrium, (5) the aortic root, (6) the upper left ventricle, (7) the mid left ventricle, and (8) the lower left ventricle. The diameter (anteroposterior and transverse) and cross-sectional area were measured about ascending aorta (Ao), descending aorta (AoD), superior vena cava (SVC), inferoir vena cava (IVC), pulmonary artery branch (PA), main pulmonary artery (mPA), left atrium (LA), right atrium (RA), and right ventricular outflow tract (RVOT) on each level where they were clearly distinguished. However, it was difficult to separate cardiac wall from cardiac cavity because there was little difference of X-ray attenuation coefficient between the myocardium and blood. Therefore, on mid ventricular level, diameter and area about total cardiac shadow were measured, and then cardiac ratios to the thorax were respectively calculated. The normal range of their values was shown in table, and abnormal characteristics in cardiac disease were exhibited in comparison with normal values. In MS, diameter and area in LA were significantly larger than normal. In MS and ASD, all the right cardiac system were larger than normal, especially, RA and SVC in MS, PA and RVOT in ASD. The diameter and area of the aortic root was larger in the order of AR, AS and HT than normal. (author)
Three numerical methods for the computation of the electrostatic energy
International Nuclear Information System (INIS)
Poenaru, D.N.; Galeriu, D.
1975-01-01
The FORTRAN programs for computation of the electrostatic energy of a body with axial symmetry by Lawrence, Hill-Wheeler and Beringer methods are presented in detail. The accuracy, time of computation and the required memory of these methods are tested at various deformations for two simple parametrisations: two overlapping identical spheres and a spheroid. On this basis the field of application of each method is recomended
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...
Automating sensitivity analysis of computer models using computer calculus
International Nuclear Information System (INIS)
Oblow, E.M.; Pin, F.G.
1986-01-01
An automated procedure for performing sensitivity analysis has been developed. The procedure uses a new FORTRAN compiler with computer calculus capabilities to generate the derivatives needed to set up sensitivity equations. The new compiler is called GRESS - Gradient Enhanced Software System. Application of the automated procedure with direct and adjoint sensitivity theory for the analysis of non-linear, iterative systems of equations is discussed. Calculational efficiency consideration and techniques for adjoint sensitivity analysis are emphasized. The new approach is found to preserve the traditional advantages of adjoint theory while removing the tedious human effort previously needed to apply this theoretical methodology. Conclusions are drawn about the applicability of the automated procedure in numerical analysis and large-scale modelling sensitivity studies
Automating sensitivity analysis of computer models using computer calculus
International Nuclear Information System (INIS)
Oblow, E.M.; Pin, F.G.
1985-01-01
An automated procedure for performing sensitivity analyses has been developed. The procedure uses a new FORTRAN compiler with computer calculus capabilities to generate the derivatives needed to set up sensitivity equations. The new compiler is called GRESS - Gradient Enhanced Software System. Application of the automated procedure with ''direct'' and ''adjoint'' sensitivity theory for the analysis of non-linear, iterative systems of equations is discussed. Calculational efficiency consideration and techniques for adjoint sensitivity analysis are emphasized. The new approach is found to preserve the traditional advantages of adjoint theory while removing the tedious human effort previously needed to apply this theoretical methodology. Conclusions are drawn about the applicability of the automated procedure in numerical analysis and large-scale modelling sensitivity studies. 24 refs., 2 figs
Geometric and computer-aided spline hob modeling
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.
Grid computing in large pharmaceutical molecular modeling.
Claus, Brian L; Johnson, Stephen R
2008-07-01
Most major pharmaceutical companies have employed grid computing to expand their compute resources with the intention of minimizing additional financial expenditure. Historically, one of the issues restricting widespread utilization of the grid resources in molecular modeling is the limited set of suitable applications amenable to coarse-grained parallelization. Recent advances in grid infrastructure technology coupled with advances in application research and redesign will enable fine-grained parallel problems, such as quantum mechanics and molecular dynamics, which were previously inaccessible to the grid environment. This will enable new science as well as increase resource flexibility to load balance and schedule existing workloads.
Attacker Modelling in Ubiquitous Computing Systems
DEFF Research Database (Denmark)
Papini, Davide
in with our everyday life. This future is visible to everyone nowadays: terms like smartphone, cloud, sensor, network etc. are widely known and used in our everyday life. But what about the security of such systems. Ubiquitous computing devices can be limited in terms of energy, computing power and memory...... attacker remain somehow undened and still under extensive investigation. This Thesis explores the nature of the ubiquitous attacker with a focus on how she interacts with the physical world and it denes a model that captures the abilities of the attacker. Furthermore a quantitative implementation...
Computational compliance criteria in water hammer modelling
Directory of Open Access Journals (Sweden)
Urbanowicz Kamil
2017-01-01
Full Text Available Among many numerical methods (finite: difference, element, volume etc. used to solve the system of partial differential equations describing unsteady pipe flow, the method of characteristics (MOC is most appreciated. With its help, it is possible to examine the effect of numerical discretisation carried over the pipe length. It was noticed, based on the tests performed in this study, that convergence of the calculation results occurred on a rectangular grid with the division of each pipe of the analysed system into at least 10 elements. Therefore, it is advisable to introduce computational compliance criteria (CCC, which will be responsible for optimal discretisation of the examined system. The results of this study, based on the assumption of various values of the Courant-Friedrichs-Levy (CFL number, indicate also that the CFL number should be equal to one for optimum computational results. Application of the CCC criterion to own written and commercial computer programmes based on the method of characteristics will guarantee fast simulations and the necessary computational coherence.
Computational compliance criteria in water hammer modelling
Urbanowicz, Kamil
2017-10-01
Among many numerical methods (finite: difference, element, volume etc.) used to solve the system of partial differential equations describing unsteady pipe flow, the method of characteristics (MOC) is most appreciated. With its help, it is possible to examine the effect of numerical discretisation carried over the pipe length. It was noticed, based on the tests performed in this study, that convergence of the calculation results occurred on a rectangular grid with the division of each pipe of the analysed system into at least 10 elements. Therefore, it is advisable to introduce computational compliance criteria (CCC), which will be responsible for optimal discretisation of the examined system. The results of this study, based on the assumption of various values of the Courant-Friedrichs-Levy (CFL) number, indicate also that the CFL number should be equal to one for optimum computational results. Application of the CCC criterion to own written and commercial computer programmes based on the method of characteristics will guarantee fast simulations and the necessary computational coherence.
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
Application of Computational Methods in Planaria Research: A Current Update
Directory of Open Access Journals (Sweden)
Ghosh Shyamasree
2017-07-01
Full Text Available Planaria is a member of the Phylum Platyhelminthes including flatworms. Planarians possess the unique ability of regeneration from adult stem cells or neoblasts and finds importance as a model organism for regeneration and developmental studies. Although research is being actively carried out globally through conventional methods to understand the process of regeneration from neoblasts, biology of development, neurobiology and immunology of Planaria, there are many thought provoking questions related to stem cell plasticity, and uniqueness of regenerative potential in Planarians amongst other members of Phylum Platyhelminthes. The complexity of receptors and signalling mechanisms, immune system network, biology of repair, responses to injury are yet to be understood in Planaria. Genomic and transcriptomic studies have generated a vast repository of data, but their availability and analysis is a challenging task. Data mining, computational approaches of gene curation, bioinformatics tools for analysis of transcriptomic data, designing of databases, application of algorithms in deciphering changes of morphology by RNA interference (RNAi approaches, understanding regeneration experiments is a new venture in Planaria research that is helping researchers across the globe in understanding the biology. We highlight the applications of Hidden Markov models (HMMs in designing of computational tools and their applications in Planaria decoding their complex biology.
Testing and Validation of Computational Methods for Mass Spectrometry.
Gatto, Laurent; Hansen, Kasper D; Hoopmann, Michael R; Hermjakob, Henning; Kohlbacher, Oliver; Beyer, Andreas
2016-03-04
High-throughput methods based on mass spectrometry (proteomics, metabolomics, lipidomics, etc.) produce a wealth of data that cannot be analyzed without computational methods. The impact of the choice of method on the overall result of a biological study is often underappreciated, but different methods can result in very different biological findings. It is thus essential to evaluate and compare the correctness and relative performance of computational methods. The volume of the data as well as the complexity of the algorithms render unbiased comparisons challenging. This paper discusses some problems and challenges in testing and validation of computational methods. We discuss the different types of data (simulated and experimental validation data) as well as different metrics to compare methods. We also introduce a new public repository for mass spectrometric reference data sets ( http://compms.org/RefData ) that contains a collection of publicly available data sets for performance evaluation for a wide range of different methods.
Computer prediction of subsurface radionuclide transport: an adaptive numerical method
International Nuclear Information System (INIS)
Neuman, S.P.
1983-01-01
Radionuclide transport in the subsurface is often modeled with the aid of the advection-dispersion equation. A review of existing computer methods for the solution of this equation shows that there is need for improvement. To answer this need, a new adaptive numerical method is proposed based on an Eulerian-Lagrangian formulation. The method is based on a decomposition of the concentration field into two parts, one advective and one dispersive, in a rigorous manner that does not leave room for ambiguity. The advective component of steep concentration fronts is tracked forward with the aid of moving particles clustered around each front. Away from such fronts the advection problem is handled by an efficient modified method of characteristics called single-step reverse particle tracking. When a front dissipates with time, its forward tracking stops automatically and the corresponding cloud of particles is eliminated. The dispersion problem is solved by an unconventional Lagrangian finite element formulation on a fixed grid which involves only symmetric and diagonal matrices. Preliminary tests against analytical solutions of ne- and two-dimensional dispersion in a uniform steady state velocity field suggest that the proposed adaptive method can handle the entire range of Peclet numbers from 0 to infinity, with Courant numbers well in excess of 1
Climate models on massively parallel computers
International Nuclear Information System (INIS)
Vitart, F.; Rouvillois, P.
1993-01-01
First results got on massively parallel computers (Multiple Instruction Multiple Data and Simple Instruction Multiple Data) allow to consider building of coupled models with high resolutions. This would make possible simulation of thermoaline circulation and other interaction phenomena between atmosphere and ocean. The increasing of computers powers, and then the improvement of resolution will go us to revise our approximations. Then hydrostatic approximation (in ocean circulation) will not be valid when the grid mesh will be of a dimension lower than a few kilometers: We shall have to find other models. The expert appraisement got in numerical analysis at the Center of Limeil-Valenton (CEL-V) will be used again to imagine global models taking in account atmosphere, ocean, ice floe and biosphere, allowing climate simulation until a regional scale
Rough – Granular Computing knowledge discovery models
Directory of Open Access Journals (Sweden)
Mohammed M. Eissa
2016-11-01
Full Text Available Medical domain has become one of the most important areas of research in order to richness huge amounts of medical information about the symptoms of diseases and how to distinguish between them to diagnose it correctly. Knowledge discovery models play vital role in refinement and mining of medical indicators to help medical experts to settle treatment decisions. This paper introduces four hybrid Rough – Granular Computing knowledge discovery models based on Rough Sets Theory, Artificial Neural Networks, Genetic Algorithm and Rough Mereology Theory. A comparative analysis of various knowledge discovery models that use different knowledge discovery techniques for data pre-processing, reduction, and data mining supports medical experts to extract the main medical indicators, to reduce the misdiagnosis rates and to improve decision-making for medical diagnosis and treatment. The proposed models utilized two medical datasets: Coronary Heart Disease dataset and Hepatitis C Virus dataset. The main purpose of this paper was to explore and evaluate the proposed models based on Granular Computing methodology for knowledge extraction according to different evaluation criteria for classification of medical datasets. Another purpose is to make enhancement in the frame of KDD processes for supervised learning using Granular Computing methodology.
40 CFR 194.23 - Models and computer codes.
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...
Kemper, A; Nishino, T; Schadschneider, A; Zittartz, J
2003-01-01
We develop a new variant of the recently introduced stochastic transfer matrix DMRG which we call stochastic light-cone corner-transfer-matrix DMRG (LCTMRG). It is a numerical method to compute dynamic properties of one-dimensional stochastic processes. As suggested by its name, the LCTMRG is a modification of the corner-transfer-matrix DMRG, adjusted by an additional causality argument. As an example, two reaction-diffusion models, the diffusion-annihilation process and the branch-fusion process are studied and compared with exact data and Monte Carlo simulations to estimate the capability and accuracy of the new method. The number of possible Trotter steps of more than 10 sup 5 shows a considerable improvement on the old stochastic TMRG algorithm.
An Empirical Generative Framework for Computational Modeling of Language Acquisition
Waterfall, Heidi R.; Sandbank, Ben; Onnis, Luca; Edelman, Shimon
2010-01-01
This paper reports progress in developing a computer model of language acquisition in the form of (1) a generative grammar that is (2) algorithmically learnable from realistic corpus data, (3) viable in its large-scale quantitative performance and (4) psychologically real. First, we describe new algorithmic methods for unsupervised learning of…
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...
Developing a multimodal biometric authentication system using soft computing methods.
Malcangi, Mario
2015-01-01
Robust personal authentication is becoming ever more important in computer-based applications. Among a variety of methods, biometric offers several advantages, mainly in embedded system applications. Hard and soft multi-biometric, combined with hard and soft computing methods, can be applied to improve the personal authentication process and to generalize the applicability. This chapter describes the embedded implementation of a multi-biometric (voiceprint and fingerprint) multimodal identification system based on hard computing methods (DSP) for feature extraction and matching, an artificial neural network (ANN) for soft feature pattern matching, and a fuzzy logic engine (FLE) for data fusion and decision.
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 systems and methods for visualizing data
Stolte, Chris; Hanrahan, Patrick
2013-01-29
A method for forming a visual plot using a hierarchical structure of a dataset. The dataset comprises a measure and a dimension. The dimension consists of a plurality of levels. The plurality of levels form a dimension hierarchy. The visual plot is constructed based on a specification. A first level from the plurality of levels is represented by a first component of the visual plot. A second level from the plurality of levels is represented by a second component of the visual plot. The dataset is queried to retrieve data in accordance with the specification. The data includes all or a portion of the dimension and all or a portion of the measure. The visual plot is populated with the retrieved data in accordance with the specification.
An ODP computational model of a cooperative binding object
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.
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.
Computational Aerodynamic Modeling of Small Quadcopter Vehicles
Yoon, Seokkwan; Ventura Diaz, Patricia; Boyd, D. Douglas; Chan, William M.; Theodore, Colin R.
2017-01-01
High-fidelity computational simulations have been performed which focus on rotor-fuselage and rotor-rotor aerodynamic interactions of small quad-rotor vehicle systems. The three-dimensional unsteady Navier-Stokes equations are solved on overset grids using high-order accurate schemes, dual-time stepping, low Mach number preconditioning, and hybrid turbulence modeling. Computational results for isolated rotors are shown to compare well with available experimental data. Computational results in hover reveal the differences between a conventional configuration where the rotors are mounted above the fuselage and an unconventional configuration where the rotors are mounted below the fuselage. Complex flow physics in forward flight is investigated. The goal of this work is to demonstrate that understanding of interactional aerodynamics can be an important factor in design decisions regarding rotor and fuselage placement for next-generation multi-rotor drones.
Numerical methods and modelling for engineering
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...
Pulse cleaning flow models and numerical computation of candle ceramic filters.
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.
Discrete linear canonical transform computation by adaptive method.
Zhang, Feng; Tao, Ran; Wang, Yue
2013-07-29
The linear canonical transform (LCT) describes the effect of quadratic phase systems on a wavefield and generalizes many optical transforms. In this paper, the computation method for the discrete LCT using the adaptive least-mean-square (LMS) algorithm is presented. The computation approaches of the block-based discrete LCT and the stream-based discrete LCT using the LMS algorithm are derived, and the implementation structures of these approaches by the adaptive filter system are considered. The proposed computation approaches have the inherent parallel structures which make them suitable for efficient VLSI implementations, and are robust to the propagation of possible errors in the computation process.
Software Defects, Scientific Computation and the Scientific Method
CERN. Geneva
2011-01-01
Computation has rapidly grown in the last 50 years so that in many scientific areas it is the dominant partner in the practice of science. Unfortunately, unlike the experimental sciences, it does not adhere well to the principles of the scientific method as espoused by, for example, the philosopher Karl Popper. Such principles are built around the notions of deniability and reproducibility. Although much research effort has been spent on measuring the density of software defects, much less has been spent on the more difficult problem of measuring their effect on the output of a program. This talk explores these issues with numerous examples suggesting how this situation might be improved to match the demands of modern science. Finally it develops a theoretical model based on an amalgam of statistical mechanics and Hartley/Shannon information theory which suggests that software systems have strong implementation independent behaviour and supports the widely observed phenomenon that defects clust...
Platform-independent method for computer aided schematic drawings
Vell, Jeffrey L [Slingerlands, NY; Siganporia, Darius M [Clifton Park, NY; Levy, Arthur J [Fort Lauderdale, FL
2012-02-14
A CAD/CAM method is disclosed for a computer system to capture and interchange schematic drawing and associated design information. The schematic drawing and design information are stored in an extensible, platform-independent format.
Simulating elastic light scattering using high performance computing methods
Hoekstra, A.G.; Sloot, P.M.A.; Verbraeck, A.; Kerckhoffs, E.J.H.
1993-01-01
The Coupled Dipole method, as originally formulated byPurcell and Pennypacker, is a very powerful method tosimulate the Elastic Light Scattering from arbitraryparticles. This method, which is a particle simulationmodel for Computational Electromagnetics, has one majordrawback: if the size of the
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
Computer model for harmonic ultrasound imaging.
Li, Y; Zagzebski, J A
2000-01-01
Harmonic ultrasound imaging has received great attention from ultrasound scanner manufacturers and researchers. In this paper, we present a computer model that can generate realistic harmonic images. In this model, the incident ultrasound is modeled after the "KZK" equation, and the echo signal is modeled using linear propagation theory because the echo signal is much weaker than the incident pulse. Both time domain and frequency domain numerical solutions to the "KZK" equation were studied. Realistic harmonic images of spherical lesion phantoms were generated for scans by a circular transducer. This model can be a very useful tool for studying the harmonic buildup and dissipation processes in a nonlinear medium, and it can be used to investigate a wide variety of topics related to B-mode harmonic imaging.
Computational and experimental methods for enclosed natural convection
International Nuclear Information System (INIS)
Larson, D.W.; Gartling, D.K.; Schimmel, W.P. Jr.
1977-10-01
Two computational procedures and one optical experimental procedure for studying enclosed natural convection are described. The finite-difference and finite-element numerical methods are developed and several sample problems are solved. Results obtained from the two computational approaches are compared. A temperature-visualization scheme using laser holographic interferometry is described, and results from this experimental procedure are compared with results from both numerical methods
Method and computer program product for maintenance and modernization backlogging
Mattimore, Bernard G; Reynolds, Paul E; Farrell, Jill M
2013-02-19
According to one embodiment, a computer program product for determining future facility conditions includes a computer readable medium having computer readable program code stored therein. The computer readable program code includes computer readable program code for calculating a time period specific maintenance cost, for calculating a time period specific modernization factor, and for calculating a time period specific backlog factor. Future facility conditions equal the time period specific maintenance cost plus the time period specific modernization factor plus the time period specific backlog factor. In another embodiment, a computer-implemented method for calculating future facility conditions includes calculating a time period specific maintenance cost, calculating a time period specific modernization factor, and calculating a time period specific backlog factor. Future facility conditions equal the time period specific maintenance cost plus the time period specific modernization factor plus the time period specific backlog factor. Other embodiments are also presented.
Computer Anti-forensics Methods and their Impact on Computer Forensic Investigation
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...
A cognition-based method to ease the computational load for an extended Kalman filter.
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.
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.
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
A novel patient-specific model to compute coronary fractional flow reserve.
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.
Analytical performance modeling for computer systems
Tay, Y C
2013-01-01
This book is an introduction to analytical performance modeling for computer systems, i.e., writing equations to describe their performance behavior. It is accessible to readers who have taken college-level courses in calculus and probability, networking and operating systems. This is not a training manual for becoming an expert performance analyst. Rather, the objective is to help the reader construct simple models for analyzing and understanding the systems that they are interested in.Describing a complicated system abstractly with mathematical equations requires a careful choice of assumpti
The deterministic computational modelling of radioactivity
International Nuclear Information System (INIS)
Damasceno, Ralf M.; Barros, Ricardo C.
2009-01-01
This paper describes a computational applicative (software) that modelling the simply radioactive decay, the stable nuclei decay, and tbe chain decay directly coupled with superior limit of thirteen radioactive decays, and a internal data bank with the decay constants of the various existent decays, facilitating considerably the use of program by people who does not have access to the program are not connected to the nuclear area; this makes access of the program to people that do not have acknowledgment of that area. The paper presents numerical results for typical problem-models
Cloud Computing, Tieto Cloud Server Model
Suikkanen, Saara
2013-01-01
The purpose of this study is to find out what is cloud computing. To be able to make wise decisions when moving to cloud or considering it, companies need to understand what cloud is consists of. Which model suits best to they company, what should be taken into account before moving to cloud, what is the cloud broker role and also SWOT analysis of cloud? To be able to answer customer requirements and business demands, IT companies should develop and produce new service models. IT house T...
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 Design Modelling : Proceedings of the Design Modelling Symposium
Kilian, Axel; Palz, Norbert; Scheurer, Fabian
2012-01-01
This book publishes the peer-reviewed proceeding of the third Design Modeling Symposium Berlin . The conference constitutes a platform for dialogue on experimental practice and research within the field of computationally informed architectural design. More than 60 leading experts the computational processes within the field of computationally informed architectural design to develop a broader and less exotic building practice that bears more subtle but powerful traces of the complex tool set and approaches we have developed and studied over recent years. The outcome are new strategies for a reasonable and innovative implementation of digital potential in truly innovative and radical design guided by both responsibility towards processes and the consequences they initiate.
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.
Using AMDD method for Database Design in Mobile Cloud Computing Systems
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...
Computational Fluid Dynamics Modeling of Bacillus anthracis ...
Journal Article Three-dimensional computational fluid dynamics and Lagrangian particle deposition models were developed to compare the deposition of aerosolized Bacillus anthracis spores in the respiratory airways of a human with that of the rabbit, a species commonly used in the study of anthrax disease. The respiratory airway geometries for each species were derived from computed tomography (CT) or µCT images. Both models encompassed airways that extended from the external nose to the lung with a total of 272 outlets in the human model and 2878 outlets in the rabbit model. All simulations of spore deposition were conducted under transient, inhalation-exhalation breathing conditions using average species-specific minute volumes. Four different exposure scenarios were modeled in the rabbit based upon experimental inhalation studies. For comparison, human simulations were conducted at the highest exposure concentration used during the rabbit experimental exposures. Results demonstrated that regional spore deposition patterns were sensitive to airway geometry and ventilation profiles. Despite the complex airway geometries in the rabbit nose, higher spore deposition efficiency was predicted in the upper conducting airways of the human at the same air concentration of anthrax spores. This greater deposition of spores in the upper airways in the human resulted in lower penetration and deposition in the tracheobronchial airways and the deep lung than that predict