Numerical Modelling of Structures with Uncertainties

Directory of Open Access Journals (Sweden)

Kahsin Maciej

2017-04-01

Full Text Available The nature of environmental interactions, as well as large dimensions and complex structure of marine offshore objects, make designing, building and operation of these objects a great challenge. This is the reason why a vast majority of investment cases of this type include structural analysis, performed using scaled laboratory models and complemented by extended computer simulations. The present paper focuses on FEM modelling of the offshore wind turbine supporting structure. Then problem is studied using the modal analysis, sensitivity analysis, as well as the design of experiment (DOE and response surface model (RSM methods. The results of modal analysis based simulations were used for assessing the quality of the FEM model against the data measured during the experimental modal analysis of the scaled laboratory model for different support conditions. The sensitivity analysis, in turn, has provided opportunities for assessing the effect of individual FEM model parameters on the dynamic response of the examined supporting structure. The DOE and RSM methods allowed to determine the effect of model parameter changes on the supporting structure response.

Soil Retaining Structures : Development of models for structural analysis

NARCIS (Netherlands)

Bakker, K.J.

2000-01-01

The topic of this thesis is the development of models for the structural analysis of soil retaining structures. The soil retaining structures being looked at are; block revetments, flexible retaining walls and bored tunnels in soft soil. Within this context typical structural behavior of these

Accurate protein structure modeling using sparse NMR data and homologous structure information.

Science.gov (United States)

Thompson, James M; Sgourakis, Nikolaos G; Liu, Gaohua; Rossi, Paolo; Tang, Yuefeng; Mills, Jeffrey L; Szyperski, Thomas; Montelione, Gaetano T; Baker, David

2012-06-19

While information from homologous structures plays a central role in X-ray structure determination by molecular replacement, such information is rarely used in NMR structure determination because it can be incorrect, both locally and globally, when evolutionary relationships are inferred incorrectly or there has been considerable evolutionary structural divergence. Here we describe a method that allows robust modeling of protein structures of up to 225 residues by combining (1)H(N), (13)C, and (15)N backbone and (13)Cβ chemical shift data, distance restraints derived from homologous structures, and a physically realistic all-atom energy function. Accurate models are distinguished from inaccurate models generated using incorrect sequence alignments by requiring that (i) the all-atom energies of models generated using the restraints are lower than models generated in unrestrained calculations and (ii) the low-energy structures converge to within 2.0 Å backbone rmsd over 75% of the protein. Benchmark calculations on known structures and blind targets show that the method can accurately model protein structures, even with very remote homology information, to a backbone rmsd of 1.2-1.9 Å relative to the conventional determined NMR ensembles and of 0.9-1.6 Å relative to X-ray structures for well-defined regions of the protein structures. This approach facilitates the accurate modeling of protein structures using backbone chemical shift data without need for side-chain resonance assignments and extensive analysis of NOESY cross-peak assignments.

Generalized structured component analysis a component-based approach to structural equation modeling

CERN Document Server

Hwang, Heungsun

2014-01-01

Winner of the 2015 Sugiyama Meiko Award (Publication Award) of the Behaviormetric Society of Japan Developed by the authors, generalized structured component analysis is an alternative to two longstanding approaches to structural equation modeling: covariance structure analysis and partial least squares path modeling. Generalized structured component analysis allows researchers to evaluate the adequacy of a model as a whole, compare a model to alternative specifications, and conduct complex analyses in a straightforward manner. Generalized Structured Component Analysis: A Component-Based Approach to Structural Equation Modeling provides a detailed account of this novel statistical methodology and its various extensions. The authors present the theoretical underpinnings of generalized structured component analysis and demonstrate how it can be applied to various empirical examples. The book enables quantitative methodologists, applied researchers, and practitioners to grasp the basic concepts behind this new a...

Development of the tube bundle structure for fluid-structure interaction analysis model

International Nuclear Information System (INIS)

Yoon, Kyung Ho; Kim, Jae Yong

2010-02-01

Tube bundle structures within a Boiler or heat exchanger are laid the fluid-structure, thermal-structure and fluid-thermal-structure coupled boundary condition. In these complicated boundary conditions, Fluid-structure interaction (FSI) occurs when fluid flow causes deformation of the structure. This deformation, in turn, changes the boundary conditions for the fluid flow. The structural analysis discipline, and then independently analyzed each other. However, the fluid dynamic force effect the behavior of the structure, and the vibration amplitude of the structure to fluid. FSI analysis model was separately created fluid and structure model, and then defined the fsi boundary condition, and simultaneously analyzed in one domain. The analysis results were compared with those of the experimental method for validating the analysis model. Flow-induced vibration test was executed with single rod configuration. The vibration amplitudes of a fuel rod were measured by the laser vibro-meter system in x and y-direction. The analyses results were not closely with the test data, but the trend was very similar with the test result. In fsi coupled analysis case, the turbulent model was very important with the reliability of the accuracy of the analysis model. Therefore, the analysis model will be needed to further study

Modeling and identification in structural dynamics

OpenAIRE

Jayakumar, Paramsothy

1987-01-01

Analytical modeling of structures subjected to ground motions is an important aspect of fully dynamic earthquake-resistant design. In general, linear models are only sufficient to represent structural responses resulting from earthquake motions of small amplitudes. However, the response of structures during strong ground motions is highly nonlinear and hysteretic. System identification is an effective tool for developing analytical models from experimental data. Testing of full-scale prot...

Comparisons of Multilevel Modeling and Structural Equation Modeling Approaches to Actor-Partner Interdependence Model.

Science.gov (United States)

Hong, Sehee; Kim, Soyoung

2018-01-01

There are basically two modeling approaches applicable to analyzing an actor-partner interdependence model: the multilevel modeling (hierarchical linear model) and the structural equation modeling. This article explains how to use these two models in analyzing an actor-partner interdependence model and how these two approaches work differently. As an empirical example, marital conflict data were used to analyze an actor-partner interdependence model. The multilevel modeling and the structural equation modeling produced virtually identical estimates for a basic model. However, the structural equation modeling approach allowed more realistic assumptions on measurement errors and factor loadings, rendering better model fit indices.

Structural Modeling Using "Scanning and Mapping" Technique

Science.gov (United States)

Amos, Courtney L.; Dash, Gerald S.; Shen, J. Y.; Ferguson, Frederick; Noga, Donald F. (Technical Monitor)

2000-01-01

Supported by NASA Glenn Center, we are in the process developing a structural damage diagnostic and monitoring system for rocket engines, which consists of five modules: Structural Modeling, Measurement Data Pre-Processor, Structural System Identification, Damage Detection Criterion, and Computer Visualization. The function of the system is to detect damage as it is incurred by the engine structures. The scientific principle to identify damage is to utilize the changes in the vibrational properties between the pre-damaged and post-damaged structures. The vibrational properties of the pre-damaged structure can be obtained based on an analytic computer model of the structure. Thus, as the first stage of the whole research plan, we currently focus on the first module - Structural Modeling. Three computer software packages are selected, and will be integrated for this purpose. They are PhotoModeler-Pro, AutoCAD-R14, and MSC/NASTRAN. AutoCAD is the most popular PC-CAD system currently available in the market. For our purpose, it plays like an interface to generate structural models of any particular engine parts or assembly, which is then passed to MSC/NASTRAN for extracting structural dynamic properties. Although AutoCAD is a powerful structural modeling tool, the complexity of engine components requires a further improvement in structural modeling techniques. We are working on a so-called "scanning and mapping" technique, which is a relatively new technique. The basic idea is to producing a full and accurate 3D structural model by tracing on multiple overlapping photographs taken from different angles. There is no need to input point positions, angles, distances or axes. Photographs can be taken by any types of cameras with different lenses. With the integration of such a modeling technique, the capability of structural modeling will be enhanced. The prototypes of any complex structural components will be produced by PhotoModeler first based on existing similar

Tree-Structured Digital Organisms Model

Science.gov (United States)

Suzuki, Teruhiko; Nobesawa, Shiho; Tahara, Ikuo

Tierra and Avida are well-known models of digital organisms. They describe a life process as a sequence of computation codes. A linear sequence model may not be the only way to describe a digital organism, though it is very simple for a computer-based model. Thus we propose a new digital organism model based on a tree structure, which is rather similar to the generic programming. With our model, a life process is a combination of various functions, as if life in the real world is. This implies that our model can easily describe the hierarchical structure of life, and it can simulate evolutionary computation through mutual interaction of functions. We verified our model by simulations that our model can be regarded as a digital organism model according to its definitions. Our model even succeeded in creating species such as viruses and parasites.

Structured statistical models of inductive reasoning.

Science.gov (United States)

Kemp, Charles; Tenenbaum, Joshua B

2009-01-01

Everyday inductive inferences are often guided by rich background knowledge. Formal models of induction should aim to incorporate this knowledge and should explain how different kinds of knowledge lead to the distinctive patterns of reasoning found in different inductive contexts. This article presents a Bayesian framework that attempts to meet both goals and describes [corrected] 4 applications of the framework: a taxonomic model, a spatial model, a threshold model, and a causal model. Each model makes probabilistic inferences about the extensions of novel properties, but the priors for the 4 models are defined over different kinds of structures that capture different relationships between the categories in a domain. The framework therefore shows how statistical inference can operate over structured background knowledge, and the authors argue that this interaction between structure and statistics is critical for explaining the power and flexibility of human reasoning.

The Protein Model Portal--a comprehensive resource for protein structure and model information.

Science.gov (United States)

Haas, Juergen; Roth, Steven; Arnold, Konstantin; Kiefer, Florian; Schmidt, Tobias; Bordoli, Lorenza; Schwede, Torsten

2013-01-01

The Protein Model Portal (PMP) has been developed to foster effective use of 3D molecular models in biomedical research by providing convenient and comprehensive access to structural information for proteins. Both experimental structures and theoretical models for a given protein can be searched simultaneously and analyzed for structural variability. By providing a comprehensive view on structural information, PMP offers the opportunity to apply consistent assessment and validation criteria to the complete set of structural models available for proteins. PMP is an open project so that new methods developed by the community can contribute to PMP, for example, new modeling servers for creating homology models and model quality estimation servers for model validation. The accuracy of participating modeling servers is continuously evaluated by the Continuous Automated Model EvaluatiOn (CAMEO) project. The PMP offers a unique interface to visualize structural coverage of a protein combining both theoretical models and experimental structures, allowing straightforward assessment of the model quality and hence their utility. The portal is updated regularly and actively developed to include latest methods in the field of computational structural biology. Database URL: http://www.proteinmodelportal.org.

The Protein Model Portal—a comprehensive resource for protein structure and model information

Science.gov (United States)

Haas, Juergen; Roth, Steven; Arnold, Konstantin; Kiefer, Florian; Schmidt, Tobias; Bordoli, Lorenza; Schwede, Torsten

2013-01-01

The Protein Model Portal (PMP) has been developed to foster effective use of 3D molecular models in biomedical research by providing convenient and comprehensive access to structural information for proteins. Both experimental structures and theoretical models for a given protein can be searched simultaneously and analyzed for structural variability. By providing a comprehensive view on structural information, PMP offers the opportunity to apply consistent assessment and validation criteria to the complete set of structural models available for proteins. PMP is an open project so that new methods developed by the community can contribute to PMP, for example, new modeling servers for creating homology models and model quality estimation servers for model validation. The accuracy of participating modeling servers is continuously evaluated by the Continuous Automated Model EvaluatiOn (CAMEO) project. The PMP offers a unique interface to visualize structural coverage of a protein combining both theoretical models and experimental structures, allowing straightforward assessment of the model quality and hence their utility. The portal is updated regularly and actively developed to include latest methods in the field of computational structural biology. Database URL: http://www.proteinmodelportal.org PMID:23624946

Structural equation modeling methods and applications

CERN Document Server

Wang, Jichuan

2012-01-01

A reference guide for applications of SEM using Mplus Structural Equation Modeling: Applications Using Mplus is intended as both a teaching resource and a reference guide. Written in non-mathematical terms, this book focuses on the conceptual and practical aspects of Structural Equation Modeling (SEM). Basic concepts and examples of various SEM models are demonstrated along with recently developed advanced methods, such as mixture modeling and model-based power analysis and sample size estimate for SEM. The statistical modeling program, Mplus, is also featured and provides researchers with a

Metallic glasses: structural models

International Nuclear Information System (INIS)

Nassif, E.

1984-01-01

The aim of this work is to give a summary of the attempts made up to the present in order to discribe by structural models the atomic arrangement in metallic glasses, showing also why the structure factors and atomic distribution functions cannot be always experimentally determined with a reasonable accuracy. (M.W.O.) [pt

Carbody structural lightweighting based on implicit parameterized model

Science.gov (United States)

Chen, Xin; Ma, Fangwu; Wang, Dengfeng; Xie, Chen

2014-05-01

Most of recent research on carbody lightweighting has focused on substitute material and new processing technologies rather than structures. However, new materials and processing techniques inevitably lead to higher costs. Also, material substitution and processing lightweighting have to be realized through body structural profiles and locations. In the huge conventional workload of lightweight optimization, model modifications involve heavy manual work, and it always leads to a large number of iteration calculations. As a new technique in carbody lightweighting, the implicit parameterization is used to optimize the carbody structure to improve the materials utilization rate in this paper. The implicit parameterized structural modeling enables the use of automatic modification and rapid multidisciplinary design optimization (MDO) in carbody structure, which is impossible in the traditional structure finite element method (FEM) without parameterization. The structural SFE parameterized model is built in accordance with the car structural FE model in concept development stage, and it is validated by some structural performance data. The validated SFE structural parameterized model can be used to generate rapidly and automatically FE model and evaluate different design variables group in the integrated MDO loop. The lightweighting result of body-in-white (BIW) after the optimization rounds reveals that the implicit parameterized model makes automatic MDO feasible and can significantly improve the computational efficiency of carbody structural lightweighting. This paper proposes the integrated method of implicit parameterized model and MDO, which has the obvious practical advantage and industrial significance in the carbody structural lightweighting design.

Network structure exploration via Bayesian nonparametric models

International Nuclear Information System (INIS)

Chen, Y; Wang, X L; Xiang, X; Tang, B Z; Bu, J Z

2015-01-01

Complex networks provide a powerful mathematical representation of complex systems in nature and society. To understand complex networks, it is crucial to explore their internal structures, also called structural regularities. The task of network structure exploration is to determine how many groups there are in a complex network and how to group the nodes of the network. Most existing structure exploration methods need to specify either a group number or a certain type of structure when they are applied to a network. In the real world, however, the group number and also the certain type of structure that a network has are usually unknown in advance. To explore structural regularities in complex networks automatically, without any prior knowledge of the group number or the certain type of structure, we extend a probabilistic mixture model that can handle networks with any type of structure but needs to specify a group number using Bayesian nonparametric theory. We also propose a novel Bayesian nonparametric model, called the Bayesian nonparametric mixture (BNPM) model. Experiments conducted on a large number of networks with different structures show that the BNPM model is able to explore structural regularities in networks automatically with a stable, state-of-the-art performance. (paper)

Structural Equation Model Trees

Science.gov (United States)

Brandmaier, Andreas M.; von Oertzen, Timo; McArdle, John J.; Lindenberger, Ulman

2013-01-01

In the behavioral and social sciences, structural equation models (SEMs) have become widely accepted as a modeling tool for the relation between latent and observed variables. SEMs can be seen as a unification of several multivariate analysis techniques. SEM Trees combine the strengths of SEMs and the decision tree paradigm by building tree…

A Teaching Model for Truss Structures

Science.gov (United States)

Bigoni, Davide; Dal Corso, Francesco; Misseroni, Diego; Tommasini, Mirko

2012-01-01

A classroom demonstration model has been designed, machined and successfully tested in different learning environments to facilitate understanding of the mechanics of truss structures, in which struts are subject to purely axial load and deformation. Gaining confidence with these structures is crucial for the development of lattice models, which…

Exploring RNA structure by integrative molecular modelling

DEFF Research Database (Denmark)

Masquida, Benoît; Beckert, Bertrand; Jossinet, Fabrice

2010-01-01

RNA molecular modelling is adequate to rapidly tackle the structure of RNA molecules. With new structured RNAs constituting a central class of cellular regulators discovered every year, the need for swift and reliable modelling methods is more crucial than ever. The pragmatic method based...... on interactive all-atom molecular modelling relies on the observation that specific structural motifs are recurrently found in RNA sequences. Once identified by a combination of comparative sequence analysis and biochemical data, the motifs composing the secondary structure of a given RNA can be extruded...

Antibody structural modeling with prediction of immunoglobulin structure (PIGS)

KAUST Repository

Marcatili, Paolo; Olimpieri, Pier Paolo; Chailyan, Anna; Tramontano, Anna

2014-01-01

of antibodies with a very satisfactory accuracy. The strategy is completely automated and extremely fast, requiring only a few minutes (~10 min on average) to build a structural model of an antibody. It is based on the concept of canonical structures of antibody

Stability patterns for a size-structured population model and its stage-structured counterpart

DEFF Research Database (Denmark)

Zhang, Lai; Pedersen, Michael; Lin, Zhigui

2015-01-01

In this paper we compare a general size-structured population model, where a size-structured consumer feeds upon an unstructured resource, to its simplified stage-structured counterpart in terms of equilibrium stability. Stability of the size-structured model is understood in terms of an equivale...... to the population level....

Model reduction in integrated controls-structures design

Science.gov (United States)

Maghami, Peiman G.

1993-01-01

It is the objective of this paper to present a model reduction technique developed for the integrated controls-structures design of flexible structures. Integrated controls-structures design problems are typically posed as nonlinear mathematical programming problems, where the design variables consist of both structural and control parameters. In the solution process, both structural and control design variables are constantly changing; therefore, the dynamic characteristics of the structure are also changing. This presents a problem in obtaining a reduced-order model for active control design and analysis which will be valid for all design points within the design space. In other words, the frequency and number of the significant modes of the structure (modes that should be included) may vary considerably throughout the design process. This is also true as the locations and/or masses of the sensors and actuators change. Moreover, since the number of design evaluations in the integrated design process could easily run into thousands, any feasible order-reduction method should not require model reduction analysis at every design iteration. In this paper a novel and efficient technique for model reduction in the integrated controls-structures design process, which addresses these issues, is presented.

Generalized latent variable modeling multilevel, longitudinal, and structural equation models

CERN Document Server

Skrondal, Anders; Rabe-Hesketh, Sophia

2004-01-01

This book unifies and extends latent variable models, including multilevel or generalized linear mixed models, longitudinal or panel models, item response or factor models, latent class or finite mixture models, and structural equation models.

On modeling of structured multiphase mixtures

International Nuclear Information System (INIS)

Dobran, F.

1987-01-01

The usual modeling of multiphase mixtures involves a set of conservation and balance equations of mass, momentum, energy and entropy (the basic set) constructed by an averaging procedure or postulated. The averaged models are constructed by averaging, over space or time segments, the local macroscopic field equations of each phase, whereas the postulated models are usually motivated by the single phase multicomponent mixture models. In both situations, the resulting equations yield superimposed continua models and are closed by the constitutive equations which place restrictions on the possible material response during the motion and phase change. In modeling the structured multiphase mixtures, the modeling of intrinsic motion of grains or particles is accomplished by adjoining to the basic set of field equations the additional balance equations, thereby placing restrictions on the motion of phases only within the imposed extrinsic and intrinsic sources. The use of the additional balance equations has been primarily advocated in the postulatory theories of multiphase mixtures and are usually derived through very special assumptions of the material deformation. Nevertheless, the resulting mixture models can predict a wide variety of complex phenomena such as the Mohr-Coulomb yield criterion in granular media, Rayleigh bubble equation, wave dispersion and dilatancy. Fundamental to the construction of structured models of multiphase mixtures are the problems pertaining to the existence and number of additional balance equations to model the structural characteristics of a mixture. Utilizing a volume averaging procedure it is possible not only to derive the basic set of field equation discussed above, but also a very general set of additional balance equations for modeling of structural properties of the mixture

Global model structures for ∗-modules

DEFF Research Database (Denmark)

Böhme, Benjamin

2018-01-01

We extend Schwede's work on the unstable global homotopy theory of orthogonal spaces and L-spaces to the category of ∗-modules (i.e., unstable S-modules). We prove a theorem which transports model structures and their properties from L-spaces to ∗-modules and show that the resulting global model...... structure for ∗-modules is monoidally Quillen equivalent to that of orthogonal spaces. As a consequence, there are induced Quillen equivalences between the associated model categories of monoids, which identify equivalent models for the global homotopy theory of A∞-spaces....

Modeling protein structures: construction and their applications.

Science.gov (United States)

Ring, C S; Cohen, F E

1993-06-01

Although no general solution to the protein folding problem exists, the three-dimensional structures of proteins are being successfully predicted when experimentally derived constraints are used in conjunction with heuristic methods. In the case of interleukin-4, mutagenesis data and CD spectroscopy were instrumental in the accurate assignment of secondary structure. In addition, the tertiary structure was highly constrained by six cysteines separated by many residues that formed three disulfide bridges. Although the correct structure was a member of a short list of plausible structures, the "best" structure was the topological enantiomer of the experimentally determined conformation. For many proteases, other experimentally derived structures can be used as templates to identify the secondary structure elements. In a procedure called modeling by homology, the structure of a known protein is used as a scaffold to predict the structure of another related protein. This method has been used to model a serine and a cysteine protease that are important in the schistosome and malarial life cycles, respectively. The model structures were then used to identify putative small molecule enzyme inhibitors computationally. Experiments confirm that some of these nonpeptidic compounds are active at concentrations of less than 10 microM.

Development of the tube bundle structure for fluid-structure interaction analysis model - Intermediate Report -

International Nuclear Information System (INIS)

Yoon, Kyung Ho; Kim, Jae Yong; Lee, Kang Hee; Lee, Young Ho; Kim, Hyung Kyu

2009-07-01

Tube bundle structures within a Boiler or heat exchanger are laid the fluid-structure, thermal-structure and fluid-thermal-structure coupled boundary condition. In these complicated boundary conditions, Fluid-structure interaction (FSI) occurs when fluid flow causes deformation of the structure. This deformation, in turn, changes the boundary conditions for the fluid flow. The structural analysis have been executed as follows. First of all, divide the fluid and structural analysis discipline, and then independently analyzed each other. However, the fluid dynamic force effect the behavior of the structure, and the vibration amplitude of the structure to fluid. FSI analysis model was separately created fluid and structure model, and then defined the fsi boundary condition, and simultaneously analyzed in one domain. The analysis results were compared with those of the experimental method for validating the analysis model. Flow-induced vibration test was executed with single rod configuration. The vibration amplitudes of a fuel rod were measured by the laser vibro-meter system in x and y-direction. The analyses results were not closely with the test data, but the trend was very similar with the test result. In fsi coupled analysis case, the turbulent model was very important with the reliability of the accuracy of the analysis model. Therefore, the analysis model will be needed to further study

Random-Effects Models for Meta-Analytic Structural Equation Modeling: Review, Issues, and Illustrations

Science.gov (United States)

Cheung, Mike W.-L.; Cheung, Shu Fai

2016-01-01

Meta-analytic structural equation modeling (MASEM) combines the techniques of meta-analysis and structural equation modeling for the purpose of synthesizing correlation or covariance matrices and fitting structural equation models on the pooled correlation or covariance matrix. Both fixed-effects and random-effects models can be defined in MASEM.…

MMM: A toolbox for integrative structure modeling.

Science.gov (United States)

Jeschke, Gunnar

2018-01-01

Structural characterization of proteins and their complexes may require integration of restraints from various experimental techniques. MMM (Multiscale Modeling of Macromolecules) is a Matlab-based open-source modeling toolbox for this purpose with a particular emphasis on distance distribution restraints obtained from electron paramagnetic resonance experiments on spin-labelled proteins and nucleic acids and their combination with atomistic structures of domains or whole protomers, small-angle scattering data, secondary structure information, homology information, and elastic network models. MMM does not only integrate various types of restraints, but also various existing modeling tools by providing a common graphical user interface to them. The types of restraints that can support such modeling and the available model types are illustrated by recent application examples. © 2017 The Protein Society.

Track structure in biological models.

Science.gov (United States)

Curtis, S B

1986-01-01

High-energy heavy ions in the galactic cosmic radiation (HZE particles) may pose a special risk during long term manned space flights outside the sheltering confines of the earth's geomagnetic field. These particles are highly ionizing, and they and their nuclear secondaries can penetrate many centimeters of body tissue. The three dimensional patterns of ionizations they create as they lose energy are referred to as their track structure. Several models of biological action on mammalian cells attempt to treat track structure or related quantities in their formulation. The methods by which they do this are reviewed. The proximity function is introduced in connection with the theory of Dual Radiation Action (DRA). The ion-gamma kill (IGK) model introduces the radial energy-density distribution, which is a smooth function characterizing both the magnitude and extension of a charged particle track. The lethal, potentially lethal (LPL) model introduces lambda, the mean distance between relevant ion clusters or biochemical species along the track. Since very localized energy depositions (within approximately 10 nm) are emphasized, the proximity function as defined in the DRA model is not of utility in characterizing track structure in the LPL formulation.

An evolving network model with community structure

International Nuclear Information System (INIS)

Li Chunguang; Maini, Philip K

2005-01-01

Many social and biological networks consist of communities-groups of nodes within which connections are dense, but between which connections are sparser. Recently, there has been considerable interest in designing algorithms for detecting community structures in real-world complex networks. In this paper, we propose an evolving network model which exhibits community structure. The network model is based on the inner-community preferential attachment and inter-community preferential attachment mechanisms. The degree distributions of this network model are analysed based on a mean-field method. Theoretical results and numerical simulations indicate that this network model has community structure and scale-free properties

Temporal structures in shell models

DEFF Research Database (Denmark)

Okkels, F.

2001-01-01

The intermittent dynamics of the turbulent Gledzer, Ohkitani, and Yamada shell-model is completely characterized by a single type of burstlike structure, which moves through the shells like a front. This temporal structure is described by the dynamics of the instantaneous configuration of the shell...

Structuring very large domain models

DEFF Research Database (Denmark)

Störrle, Harald

2010-01-01

View/Viewpoint approaches like IEEE 1471-2000, or Kruchten's 4+1-view model are used to structure software architectures at a high level of granularity. While research has focused on architectural languages and with consistency between multiple views, practical questions such as the structuring a...

Probabilistic Modeling of Timber Structures

DEFF Research Database (Denmark)

Köhler, J.D.; Sørensen, John Dalsgaard; Faber, Michael Havbro

2005-01-01

The present paper contains a proposal for the probabilistic modeling of timber material properties. It is produced in the context of the Probabilistic Model Code (PMC) of the Joint Committee on Structural Safety (JCSS) and of the COST action E24 'Reliability of Timber Structures'. The present...... proposal is based on discussions and comments from participants of the COST E24 action and the members of the JCSS. The paper contains a description of the basic reference properties for timber strength parameters and ultimate limit state equations for components and connections. The recommended...

3D-DART: a DNA structure modelling server

NARCIS (Netherlands)

van Dijk, M.; Bonvin, A.M.J.J.

2009-01-01

There is a growing interest in structural studies of DNA by both experimental and computational approaches. Often, 3D-structural models of DNA are required, for instance, to serve as templates for homology modeling, as starting structures for macro-molecular docking or as scaffold for NMR structure

Meta-analysis a structural equation modeling approach

CERN Document Server

Cheung, Mike W-L

2015-01-01

Presents a novel approach to conducting meta-analysis using structural equation modeling. Structural equation modeling (SEM) and meta-analysis are two powerful statistical methods in the educational, social, behavioral, and medical sciences. They are often treated as two unrelated topics in the literature. This book presents a unified framework on analyzing meta-analytic data within the SEM framework, and illustrates how to conduct meta-analysis using the metaSEM package in the R statistical environment. Meta-Analysis: A Structural Equation Modeling Approach begins by introducing the impo

Remote sensing approach to structural modelling

International Nuclear Information System (INIS)

El Ghawaby, M.A.

1989-01-01

Remote sensing techniques are quite dependable tools in investigating geologic problems, specially those related to structural aspects. The Landsat imagery provides discrimination between rock units, detection of large scale structures as folds and faults, as well as small scale fabric elements such as foliation and banding. In order to fulfill the aim of geologic application of remote sensing, some essential surveying maps might be done from images prior to the structural interpretation: land-use, land-form drainage pattern, lithological unit and structural lineament maps. Afterwards, the field verification should lead to interpretation of a comprehensive structural model of the study area to apply for the target problem. To deduce such a model, there are two ways of analysis the interpreter may go through: the direct and the indirect methods. The direct one is needed in cases where the resources or the targets are controlled by an obvious or exposed structural element or pattern. The indirect way is necessary for areas where the target is governed by a complicated structural pattern. Some case histories of structural modelling methods applied successfully for exploration of radioactive minerals, iron deposits and groundwater aquifers in Egypt are presented. The progress in imagery, enhancement and integration of remote sensing data with the other geophysical and geochemical data allow a geologic interpretation to be carried out which become better than that achieved with either of the individual data sets. 9 refs

A first course in structural equation modeling

CERN Document Server

Raykov, Tenko

2012-01-01

In this book, authors Tenko Raykov and George A. Marcoulides introduce students to the basics of structural equation modeling (SEM) through a conceptual, nonmathematical approach. For ease of understanding, the few mathematical formulas presented are used in a conceptual or illustrative nature, rather than a computational one.Featuring examples from EQS, LISREL, and Mplus, A First Course in Structural Equation Modeling is an excellent beginner's guide to learning how to set up input files to fit the most commonly used types of structural equation models with these programs. The basic ideas and methods for conducting SEM are independent of any particular software.Highlights of the Second Edition include: Review of latent change (growth) analysis models at an introductory level Coverage of the popular Mplus program Updated examples of LISREL and EQS A CD that contains all of the text's LISREL, EQS, and Mplus examples.A First Course in Structural Equation Modeling is intended as an introductory book for students...

A spatial structural derivative model for ultraslow diffusion

Directory of Open Access Journals (Sweden)

Xu Wei

2017-01-01

Full Text Available This study investigates the ultraslow diffusion by a spatial structural derivative, in which the exponential function ex is selected as the structural function to construct the local structural derivative diffusion equation model. The analytical solution of the diffusion equation is a form of Biexponential distribution. Its corresponding mean squared displacement is numerically calculated, and increases more slowly than the logarithmic function of time. The local structural derivative diffusion equation with the structural function ex in space is an alternative physical and mathematical modeling model to characterize a kind of ultraslow diffusion.

Statistical Analysis and Modelling of Olkiluoto Structures

International Nuclear Information System (INIS)

Hellae, P.; Vaittinen, T.; Saksa, P.; Nummela, J.

2004-11-01

Posiva Oy is carrying out investigations for the disposal of the spent nuclear fuel at the Olkiluoto site in SW Finland. The investigations have focused on the central part of the island. The layout design of the entire repository requires characterization of notably larger areas and must rely at least at the current stage on borehole information from a rather sparse network and on the geophysical soundings providing information outside and between the holes. In this work, the structural data according to the current version of the Olkiluoto bedrock model is analyzed. The bedrock model relies much on the borehole data although results of the seismic surveys and, for example, pumping tests are used in determining the orientation and continuation of the structures. Especially in the analysis, questions related to the frequency of structures and size of the structures are discussed. The structures observed in the boreholes are mainly dipping gently to the southeast. About 9 % of the sample length belongs to structures. The proportion is higher in the upper parts of the rock. The number of fracture and crushed zones seems not to depend greatly on the depth, whereas the hydraulic features concentrate on the depth range above -100 m. Below level -300 m, the hydraulic conductivity occurs in connection of fractured zones. Especially the hydraulic features, but also fracture and crushed zones often occur in groups. The frequency of the structure (area of structures per total volume) is estimated to be of the order of 1/100m. The size of the local structures was estimated by calculating the intersection of the zone to the nearest borehole where the zone has not been detected. Stochastic models using the Fracman software by Golder Associates were generated based on the bedrock model data complemented with the magnetic ground survey data. The seismic surveys (from boreholes KR5, KR13, KR14, and KR19) were used as alternative input data. The generated models were tested by

Model Servqual Dengan Pendekatan Structural Equation Modeling (Studi Pada Mahasiswa Sistem Informasi)

OpenAIRE

Nurfaizal, Yusmedi

2015-01-01

Penelitian ini berjudul “MODEL SERVQUAL DENGAN PENDEKATAN STRUCTURAL EQUATION MODELING (Studi Pada Mahasiswa Sistem Informasi)”. Tujuan penelitian ini adalah untuk mengetahui model Servqual dengan pendekatan Structural Equation Modeling pada mahasiswa sistem informasi. Peneliti memutuskan untuk mengambil sampel sebanyak 100 responden. Untuk menguji model digunakan analisis SEM. Hasil penelitian menunjukkan bahwa tangibility, reliability responsiveness, assurance dan emphaty mempunyai pengaruh...

Structure functions in the chiral bag model

International Nuclear Information System (INIS)

Sanjose, V.; Vento, V.; Centro Mixto CSIC/Valencia Univ., Valencia

1989-01-01

We calculate the structure functions of an isoscalar nuclear target for the deep inelastic scattering by leptons in an extended version of the chiral bag model which incorporates the qanti q structure of the pions in the cloud. Bjorken scaling and Regge behavior are satisfied. The model calculation reproduces the low-x behavior of the data but fails to explain the medium- to large-x behavior. Evolution of the quark structure functions seem inevitable to attempt a connection between the low-energy models and the high-energy behavior of quantum chromodynamics. (orig.)

Structure functions in the chiral bag model

Energy Technology Data Exchange (ETDEWEB)

Sanjose, V.; Vento, V.

1989-07-13

We calculate the structure functions of an isoscalar nuclear target for the deep inelastic scattering by leptons in an extended version of the chiral bag model which incorporates the qanti q structure of the pions in the cloud. Bjorken scaling and Regge behavior are satisfied. The model calculation reproduces the low-x behavior of the data but fails to explain the medium- to large-x behavior. Evolution of the quark structure functions seem inevitable to attempt a connection between the low-energy models and the high-energy behavior of quantum chromodynamics. (orig.).

Emulating a flexible space structure: Modeling

Science.gov (United States)

Waites, H. B.; Rice, S. C.; Jones, V. L.

1988-01-01

Control Dynamics, in conjunction with Marshall Space Flight Center, has participated in the modeling and testing of Flexible Space Structures. Through the series of configurations tested and the many techniques used for collecting, analyzing, and modeling the data, many valuable insights have been gained and important lessons learned. This paper discusses the background of the Large Space Structure program, Control Dynamics' involvement in testing and modeling of the configurations (especially the Active Control Technique Evaluation for Spacecraft (ACES) configuration), the results from these two processes, and insights gained from this work.

Structure-Based Turbulence Model

National Research Council Canada - National Science Library

Reynolds, W

2000-01-01

.... Maire carried out this work as part of his Phi) research. During the award period we began to explore ways to simplify the structure-based modeling so that it could be used in repetitive engineering calculations...

Modeling, Analysis, and Optimization Issues for Large Space Structures

Science.gov (United States)

Pinson, L. D. (Compiler); Amos, A. K. (Compiler); Venkayya, V. B. (Compiler)

1983-01-01

Topics concerning the modeling, analysis, and optimization of large space structures are discussed including structure-control interaction, structural and structural dynamics modeling, thermal analysis, testing, and design.

Modeling and control of flexible space structures

Science.gov (United States)

Wie, B.; Bryson, A. E., Jr.

1981-01-01

The effects of actuator and sensor locations on transfer function zeros are investigated, using uniform bars and beams as generic models of flexible space structures. It is shown how finite element codes may be used directly to calculate transfer function zeros. The impulse response predicted by finite-dimensional models is compared with the exact impulse response predicted by the infinite dimensional models. It is shown that some flexible structures behave as if there were a direct transmission between actuator and sensor (equal numbers of zeros and poles in the transfer function). Finally, natural damping models for a vibrating beam are investigated since natural damping has a strong influence on the appropriate active control logic for a flexible structure.

Structured population models in biology and epidemiology

CERN Document Server

Ruan, Shigui

2008-01-01

This book consists of six chapters written by leading researchers in mathematical biology. These chapters present recent and important developments in the study of structured population models in biology and epidemiology. Topics include population models structured by age, size, and spatial position; size-structured models for metapopulations, macroparasitc diseases, and prion proliferation; models for transmission of microparasites between host populations living on non-coincident spatial domains; spatiotemporal patterns of disease spread; method of aggregation of variables in population dynamics; and biofilm models. It is suitable as a textbook for a mathematical biology course or a summer school at the advanced undergraduate and graduate level. It can also serve as a reference book for researchers looking for either interesting and specific problems to work on or useful techniques and discussions of some particular problems.

Fatgraph models of RNA structure

Directory of Open Access Journals (Sweden)

Huang Fenix

2017-01-01

Full Text Available In this review paper we discuss fatgraphs as a conceptual framework for RNA structures. We discuss various notions of coarse-grained RNA structures and relate them to fatgraphs.We motivate and discuss the main intuition behind the fatgraph model and showcase its applicability to canonical as well as noncanonical base pairs. Recent discoveries regarding novel recursions of pseudoknotted (pk configurations as well as their translation into context-free grammars for pk-structures are discussed. This is shown to allow for extending the concept of partition functions of sequences w.r.t. a fixed structure having non-crossing arcs to pk-structures. We discuss minimum free energy folding of pk-structures and combine these above results outlining how to obtain an inverse folding algorithm for PK structures.

New tips for structure prediction by comparative modeling

Science.gov (United States)

Rayan, Anwar

2009-01-01

Comparative modelling is utilized to predict the 3-dimensional conformation of a given protein (target) based on its sequence alignment to experimentally determined protein structure (template). The use of such technique is already rewarding and increasingly widespread in biological research and drug development. The accuracy of the predictions as commonly accepted depends on the score of sequence identity of the target protein to the template. To assess the relationship between sequence identity and model quality, we carried out an analysis of a set of 4753 sequence and structure alignments. Throughout this research, the model accuracy was measured by root mean square deviations of Cα atoms of the target-template structures. Surprisingly, the results show that sequence identity of the target protein to the template is not a good descriptor to predict the accuracy of the 3-D structure model. However, in a large number of cases, comparative modelling with lower sequence identity of target to template proteins led to more accurate 3-D structure model. As a consequence of this study, we suggest new tips for improving the quality of omparative models, particularly for models whose target-template sequence identity is below 50%. PMID:19255646

Residual Structures in Latent Growth Curve Modeling

Science.gov (United States)

Grimm, Kevin J.; Widaman, Keith F.

2010-01-01

Several alternatives are available for specifying the residual structure in latent growth curve modeling. Two specifications involve uncorrelated residuals and represent the most commonly used residual structures. The first, building on repeated measures analysis of variance and common specifications in multilevel models, forces residual variances…

Finite element modeling of nanotube structures linear and non-linear models

CERN Document Server

Awang, Mokhtar; Muhammad, Ibrahim Dauda

2016-01-01

This book presents a new approach to modeling carbon structures such as graphene and carbon nanotubes using finite element methods, and addresses the latest advances in numerical studies for these materials. Based on the available findings, the book develops an effective finite element approach for modeling the structure and the deformation of grapheme-based materials. Further, modeling processing for single-walled and multi-walled carbon nanotubes is demonstrated in detail.

Optimization of mathematical models for soil structure interaction

International Nuclear Information System (INIS)

Vallenas, J.M.; Wong, C.K.; Wong, D.L.

1993-01-01

Accounting for soil-structure interaction in the design and analysis of major structures for DOE facilities can involve significant costs in terms of modeling and computer time. Using computer programs like SASSI for modeling major structures, especially buried structures, requires the use of models with a large number of soil-structure interaction nodes. The computer time requirements (and costs) increase as a function of the number of interaction nodes to the third power. The added computer and labor cost for data manipulation and post-processing can further increase the total cost. This paper provides a methodology to significantly reduce the number of interaction nodes. This is achieved by selectively increasing the thickness of soil layers modeled based on the need for the mathematical model to capture as input only those frequencies that can actually be transmitted by the soil media. The authors have rarely found that a model needs to capture frequencies as high as 33 Hz. Typically coarser meshes (and a lesser number of interaction nodes) are adequate

Fitting ARMA Time Series by Structural Equation Models.

Science.gov (United States)

van Buuren, Stef

1997-01-01

This paper outlines how the stationary ARMA (p,q) model (G. Box and G. Jenkins, 1976) can be specified as a structural equation model. Maximum likelihood estimates for the parameters in the ARMA model can be obtained by software for fitting structural equation models. The method is applied to three problem types. (SLD)

Structural Identifiability of Dynamic Systems Biology Models.

Science.gov (United States)

Villaverde, Alejandro F; Barreiro, Antonio; Papachristodoulou, Antonis

2016-10-01

A powerful way of gaining insight into biological systems is by creating a nonlinear differential equation model, which usually contains many unknown parameters. Such a model is called structurally identifiable if it is possible to determine the values of its parameters from measurements of the model outputs. Structural identifiability is a prerequisite for parameter estimation, and should be assessed before exploiting a model. However, this analysis is seldom performed due to the high computational cost involved in the necessary symbolic calculations, which quickly becomes prohibitive as the problem size increases. In this paper we show how to analyse the structural identifiability of a very general class of nonlinear models by extending methods originally developed for studying observability. We present results about models whose identifiability had not been previously determined, report unidentifiabilities that had not been found before, and show how to modify those unidentifiable models to make them identifiable. This method helps prevent problems caused by lack of identifiability analysis, which can compromise the success of tasks such as experiment design, parameter estimation, and model-based optimization. The procedure is called STRIKE-GOLDD (STRuctural Identifiability taKen as Extended-Generalized Observability with Lie Derivatives and Decomposition), and it is implemented in a MATLAB toolbox which is available as open source software. The broad applicability of this approach facilitates the analysis of the increasingly complex models used in systems biology and other areas.

Structural classification and a binary structure model for superconductors

Institute of Scientific and Technical Information of China (English)

Dong Cheng

2006-01-01

Based on structural and bonding features, a new classification scheme of superconductors is proposed to classify conductors can be partitioned into two parts, a superconducting active component and a supplementary component.Partially metallic covalent bonding is found to be a common feature in all superconducting active components, and the electron states of the atoms in the active components usually make a dominant contribution to the energy band near the Fermi surface. Possible directions to explore new superconductors are discussed based on the structural classification and the binary structure model.

Towards methodical modelling: Differences between the structure and output dynamics of multiple conceptual models

Science.gov (United States)

Knoben, Wouter; Woods, Ross; Freer, Jim

2016-04-01

Conceptual hydrologic models consist of a certain arrangement of spatial and temporal dynamics consisting of stores, fluxes and transformation functions, depending on the modeller's choices and intended use. They have the advantages of being computationally efficient, being relatively easy model structures to reconfigure and having relatively low input data demands. This makes them well-suited for large-scale and large-sample hydrology, where appropriately representing the dominant hydrologic functions of a catchment is a main concern. Given these requirements, the number of parameters in the model cannot be too high, to avoid equifinality and identifiability issues. This limits the number and level of complexity of dominant hydrologic processes the model can represent. Specific purposes and places thus require a specific model and this has led to an abundance of conceptual hydrologic models. No structured overview of these models exists and there is no clear method to select appropriate model structures for different catchments. This study is a first step towards creating an overview of the elements that make up conceptual models, which may later assist a modeller in finding an appropriate model structure for a given catchment. To this end, this study brings together over 30 past and present conceptual models. The reviewed model structures are simply different configurations of three basic model elements (stores, fluxes and transformation functions), depending on the hydrologic processes the models are intended to represent. Differences also exist in the inner workings of the stores, fluxes and transformations, i.e. the mathematical formulations that describe each model element's intended behaviour. We investigate the hypothesis that different model structures can produce similar behavioural simulations. This can clarify the overview of model elements by grouping elements which are similar, which can improve model structure selection.

Fitting Data to Model: Structural Equation Modeling Diagnosis Using Two Scatter Plots

Science.gov (United States)

Yuan, Ke-Hai; Hayashi, Kentaro

2010-01-01

This article introduces two simple scatter plots for model diagnosis in structural equation modeling. One plot contrasts a residual-based M-distance of the structural model with the M-distance for the factor score. It contains information on outliers, good leverage observations, bad leverage observations, and normal cases. The other plot contrasts…

Structural modeling for multicell composite rotor blades

Science.gov (United States)

Rehfield, Lawrence W.; Atilgan, Ali R.

1987-01-01

Composite material systems are currently good candidates for aerospace structures, primarily for the design flexibility they offer, i.e., it is possible to tailor the material and manufacturing approach to the application. A working definition of elastic or structural tailoring is the use of structural concept, fiber orientation, ply stacking sequence, and a blend of materials to achieve specific performance goals. In the design process, choices of materials and dimensions are made which produce specific response characteristics, and which permit the selected goals to be achieved. Common choices for tailoring goals are preventing instabilities or vibration resonances or enhancing damage tolerance. An essential, enabling factor in the design of tailored composite structures is structural modeling that accurately, but simply, characterizes response. The objective of this paper is to present a new multicell beam model for composite rotor blades and to validate predictions based on the new model by comparison with a finite element simulation in three benchmark static load cases.

Fluid-structure interaction and structural analyses using a comprehensive mitral valve model with 3D chordal structure.

Science.gov (United States)

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

2017-04-01

Over the years, three-dimensional models of the mitral valve have generally been organized around a simplified anatomy. Leaflets have been typically modeled as membranes, tethered to discrete chordae typically modeled as one-dimensional, non-linear cables. Yet, recent, high-resolution medical images have revealed that there is no clear boundary between the chordae and the leaflets. In fact, the mitral valve has been revealed to be more of a webbed structure whose architecture is continuous with the chordae and their extensions into the leaflets. Such detailed images can serve as the basis of anatomically accurate, subject-specific models, wherein the entire valve is modeled with solid elements that more faithfully represent the chordae, the leaflets, and the transition between the two. These models have the potential to enhance our understanding of mitral valve mechanics and to re-examine the role of the mitral valve chordae, which heretofore have been considered to be 'invisible' to the fluid and to be of secondary importance to the leaflets. However, these new models also require a rethinking of modeling assumptions. In this study, we examine the conventional practice of loading the leaflets only and not the chordae in order to study the structural response of the mitral valve apparatus. Specifically, we demonstrate that fully resolved 3D models of the mitral valve require a fluid-structure interaction analysis to correctly load the valve even in the case of quasi-static mechanics. While a fluid-structure interaction mode is still more computationally expensive than a structural-only model, we also show that advances in GPU computing have made such models tractable. Copyright © 2016 John Wiley & Sons, Ltd. Copyright © 2016 John Wiley & Sons, Ltd.

Time series modelling of overflow structures

DEFF Research Database (Denmark)

Carstensen, J.; Harremoës, P.

1997-01-01

The dynamics of a storage pipe is examined using a grey-box model based on on-line measured data. The grey-box modelling approach uses a combination of physically-based and empirical terms in the model formulation. The model provides an on-line state estimate of the overflows, pumping capacities...... and available storage capacity in the pipe as well as predictions of future states. A linear overflow relation is found, differing significantly from the traditional modelling approach. This is due to complicated overflow structures in a hydraulic sense where the overflow is governed by inertia from the inflow...... to the overflow structures. The capacity of a pump draining the storage pipe has been estimated for two rain events, revealing that the pump was malfunctioning during the first rain event. The grey-box modelling approach is applicable for automated on-line surveillance and control. (C) 1997 IAWQ. Published...

Vibration modeling of structural fuzzy with continuous boundary

DEFF Research Database (Denmark)

Friis, Lars; Ohlrich, Mogens

2008-01-01

a multitude of different sprung masses each strongly resisting any motion of the main structure (master) at their base antiresonance. The “theory of structural fuzzy” is intended for modeling such high damping. In the present article the theory of fuzzy structures is briefly outlined and a method of modeling...

The WITCH Model. Structure, Baseline, Solutions.

Energy Technology Data Exchange (ETDEWEB)

Bosetti, V.; Massetti, E.; Tavoni, M.

2007-07-01

WITCH - World Induced Technical Change Hybrid - is a regionally disaggregated hard link hybrid global model with a neoclassical optimal growth structure (top down) and an energy input detail (bottom up). The model endogenously accounts for technological change, both through learning curves affecting prices of new vintages of capital and through R and D investments. The model features the main economic and environmental policies in each world region as the outcome of a dynamic game. WITCH belongs to the class of Integrated Assessment Models as it possesses a climate module that feeds climate changes back into the economy. In this paper we provide a thorough discussion of the model structure and baseline projections. We report detailed information on the evolution of energy demand, technology and CO2 emissions. Finally, we explicitly quantifiy the role of free riding in determining the emissions scenarios. (auth)

Visualization of RNA structure models within the Integrative Genomics Viewer.

Science.gov (United States)

Busan, Steven; Weeks, Kevin M

2017-07-01

Analyses of the interrelationships between RNA structure and function are increasingly important components of genomic studies. The SHAPE-MaP strategy enables accurate RNA structure probing and realistic structure modeling of kilobase-length noncoding RNAs and mRNAs. Existing tools for visualizing RNA structure models are not suitable for efficient analysis of long, structurally heterogeneous RNAs. In addition, structure models are often advantageously interpreted in the context of other experimental data and gene annotation information, for which few tools currently exist. We have developed a module within the widely used and well supported open-source Integrative Genomics Viewer (IGV) that allows visualization of SHAPE and other chemical probing data, including raw reactivities, data-driven structural entropies, and data-constrained base-pair secondary structure models, in context with linear genomic data tracks. We illustrate the usefulness of visualizing RNA structure in the IGV by exploring structure models for a large viral RNA genome, comparing bacterial mRNA structure in cells with its structure under cell- and protein-free conditions, and comparing a noncoding RNA structure modeled using SHAPE data with a base-pairing model inferred through sequence covariation analysis. © 2017 Busan and Weeks; Published by Cold Spring Harbor Laboratory Press for the RNA Society.

The Structure of Preschoolers' Emotion Knowledge: Model Equivalence and Validity Using a Structural Equation Modeling Approach

Science.gov (United States)

Bassett, Hideko Hamada; Denham, Susanne; Mincic, Melissa; Graling, Kelly

2012-01-01

Research Findings: A theory-based 2-factor structure of preschoolers' emotion knowledge (i.e., recognition of emotional expression and understanding of emotion-eliciting situations) was tested using confirmatory factor analysis. Compared to 1- and 3-factor models, the 2-factor model showed a better fit to the data. The model was found to be…

Linear causal modeling with structural equations

CERN Document Server

Mulaik, Stanley A

2009-01-01

Emphasizing causation as a functional relationship between variables that describe objects, Linear Causal Modeling with Structural Equations integrates a general philosophical theory of causation with structural equation modeling (SEM) that concerns the special case of linear causal relations. In addition to describing how the functional relation concept may be generalized to treat probabilistic causation, the book reviews historical treatments of causation and explores recent developments in experimental psychology on studies of the perception of causation. It looks at how to perceive causal

Mechanical Model Development for Composite Structural Supercapacitors

Science.gov (United States)

Ricks, Trenton M.; Lacy, Thomas E., Jr.; Santiago, Diana; Bednarcyk, Brett A.

2016-01-01

Novel composite structural supercapacitor concepts have recently been developed as a means both to store electrical charge and to provide modest mechanical load carrying capability. Double-layer composite supercapacitors are often fabricated by impregnating a woven carbon fiber fabric, which serves as the electrodes, with a structural polymer electrolyte. Polypropylene or a glass fabric is often used as the separator material. Recent research has been primarily limited to evaluating these composites experimentally. In this study, mechanical models based on the Multiscale Generalized Method of Cells (MSGMC) were developed and used to calculate the shear and tensile properties and response of two composite structural supercapacitors from the literature. The modeling approach was first validated against traditional composite laminate data. MSGMC models for composite supercapacitors were developed, and accurate elastic shear/tensile properties were obtained. It is envisioned that further development of the models presented in this work will facilitate the design of composite components for aerospace and automotive applications and can be used to screen candidate constituent materials for inclusion in future composite structural supercapacitor concepts.

On the Use of Structural Equation Models in Marketing Modeling

NARCIS (Netherlands)

Steenkamp, J.E.B.M.; Baumgartner, H.

2000-01-01

We reflect on the role of structural equation modeling (SEM) in marketing modeling and managerial decision making. We discuss some benefits provided by SEM and alert marketing modelers to several recent developments in SEM in three areas: measurement analysis, analysis of cross-sectional data, and

Model techniques for testing heated concrete structures

International Nuclear Information System (INIS)

Stefanou, G.D.

1983-01-01

Experimental techniques are described which may be used in the laboratory to measure strains of model concrete structures representing to scale actual structures of any shape or geometry, operating at elevated temperatures, for which time-dependent creep and shrinkage strains are dominant. These strains could be used to assess the distribution of stress in the scaled structure and hence to predict the actual behaviour of concrete structures used in nuclear power stations. Similar techniques have been employed in an investigation to measure elastic, thermal, creep and shrinkage strains in heated concrete models representing to scale parts of prestressed concrete pressure vessels for nuclear reactors. (author)

An elastic-plastic contact model for line contact structures

Science.gov (United States)

Zhu, Haibin; Zhao, Yingtao; He, Zhifeng; Zhang, Ruinan; Ma, Shaopeng

2018-06-01

Although numerical simulation tools are now very powerful, the development of analytical models is very important for the prediction of the mechanical behaviour of line contact structures for deeply understanding contact problems and engineering applications. For the line contact structures widely used in the engineering field, few analytical models are available for predicting the mechanical behaviour when the structures deform plastically, as the classic Hertz's theory would be invalid. Thus, the present study proposed an elastic-plastic model for line contact structures based on the understanding of the yield mechanism. A mathematical expression describing the global relationship between load history and contact width evolution of line contact structures was obtained. The proposed model was verified through an actual line contact test and a corresponding numerical simulation. The results confirmed that this model can be used to accurately predict the elastic-plastic mechanical behaviour of a line contact structure.

Modeling of soil-water-structure interaction

DEFF Research Database (Denmark)

Tang, Tian

as the developed nonlinear soil displacements and stresses under monotonic and cyclic loading. With the FVM nonlinear coupled soil models as a basis, multiphysics modeling of wave-seabed-structure interaction is carried out. The computations are done in an open source code environment, OpenFOAM, where FVM models...

Antibody structural modeling with prediction of immunoglobulin structure (PIGS)

DEFF Research Database (Denmark)

Marcatili, Paolo; Olimpieri, Pier Paolo; Chailyan, Anna

2014-01-01

Antibodies (or immunoglobulins) are crucial for defending organisms from pathogens, but they are also key players in many medical, diagnostic and biotechnological applications. The ability to predict their structure and the specific residues involved in antigen recognition has several useful...... applications in all of these areas. Over the years, we have developed or collaborated in developing a strategy that enables researchers to predict the 3D structure of antibodies with a very satisfactory accuracy. The strategy is completely automated and extremely fast, requiring only a few minutes (∼10 min...... on average) to build a structural model of an antibody. It is based on the concept of canonical structures of antibody loops and on our understanding of the way light and heavy chains pack together....

ECONGAS - model structure

Energy Technology Data Exchange (ETDEWEB)

NONE

1997-12-31

This report documents a numerical simulation model of the natural gas market in Germany, France, the Netherlands and Belgium. It is a part of a project called ``Internationalization and structural change in the gas market`` aiming to enhance the understanding of the factors behind the current and upcoming changes in the European gas market, especially the downstream part of the gas chain. The model takes European border prices of gas as given, adds transmission and distribution cost and profit margins as well as gas taxes to calculate gas prices. The model includes demand sub-models for households, chemical industry, other industry, the commercial sector and electricity generation. Demand responses to price changes are assumed to take time, and the long run effects are significantly larger than the short run effects. For the household sector and the electricity sector, the dynamics are modeled by distinguishing between energy use in the old and new capital stock. In addition to prices and the activity level (GDP), the model includes the extension of the gas network as a potentially important variable in explaining the development of gas demand. The properties of numerical simulation models are often described by dynamic multipliers, which describe the behaviour of important variables when key explanatory variables are changed. At the end, the report shows the results of a model experiment where the costs in transmission and distribution were reduced. 6 refs., 9 figs., 1 tab.

ECONGAS - model structure

International Nuclear Information System (INIS)

1997-01-01

This report documents a numerical simulation model of the natural gas market in Germany, France, the Netherlands and Belgium. It is a part of a project called ''Internationalization and structural change in the gas market'' aiming to enhance the understanding of the factors behind the current and upcoming changes in the European gas market, especially the downstream part of the gas chain. The model takes European border prices of gas as given, adds transmission and distribution cost and profit margins as well as gas taxes to calculate gas prices. The model includes demand sub-models for households, chemical industry, other industry, the commercial sector and electricity generation. Demand responses to price changes are assumed to take time, and the long run effects are significantly larger than the short run effects. For the household sector and the electricity sector, the dynamics are modeled by distinguishing between energy use in the old and new capital stock. In addition to prices and the activity level (GDP), the model includes the extension of the gas network as a potentially important variable in explaining the development of gas demand. The properties of numerical simulation models are often described by dynamic multipliers, which describe the behaviour of important variables when key explanatory variables are changed. At the end, the report shows the results of a model experiment where the costs in transmission and distribution were reduced. 6 refs., 9 figs., 1 tab

Multiplicity Control in Structural Equation Modeling

Science.gov (United States)

Cribbie, Robert A.

2007-01-01

Researchers conducting structural equation modeling analyses rarely, if ever, control for the inflated probability of Type I errors when evaluating the statistical significance of multiple parameters in a model. In this study, the Type I error control, power and true model rates of famsilywise and false discovery rate controlling procedures were…

Search-based model identification of smart-structure damage

Science.gov (United States)

Glass, B. J.; Macalou, A.

1991-01-01

This paper describes the use of a combined model and parameter identification approach, based on modal analysis and artificial intelligence (AI) techniques, for identifying damage or flaws in a rotating truss structure incorporating embedded piezoceramic sensors. This smart structure example is representative of a class of structures commonly found in aerospace systems and next generation space structures. Artificial intelligence techniques of classification, heuristic search, and an object-oriented knowledge base are used in an AI-based model identification approach. A finite model space is classified into a search tree, over which a variant of best-first search is used to identify the model whose stored response most closely matches that of the input. Newly-encountered models can be incorporated into the model space. This adaptativeness demonstrates the potential for learning control. Following this output-error model identification, numerical parameter identification is used to further refine the identified model. Given the rotating truss example in this paper, noisy data corresponding to various damage configurations are input to both this approach and a conventional parameter identification method. The combination of the AI-based model identification with parameter identification is shown to lead to smaller parameter corrections than required by the use of parameter identification alone.

Handbook of structural equation modeling

CERN Document Server

Hoyle, Rick H

2012-01-01

The first comprehensive structural equation modeling (SEM) handbook, this accessible volume presents both the mechanics of SEM and specific SEM strategies and applications. The editor, contributors, and editorial advisory board are leading methodologists who have organized the book to move from simpler material to more statistically complex modeling approaches. Sections cover the foundations of SEM; statistical underpinnings, from assumptions to model modifications; steps in implementation, from data preparation through writing the SEM report; and basic and advanced applications, inclu

Modeling High Frequency Data with Long Memory and Structural Change: A-HYEGARCH Model

Directory of Open Access Journals (Sweden)

Yanlin Shi

2018-03-01

Full Text Available In this paper, we propose an Adaptive Hyperbolic EGARCH (A-HYEGARCH model to estimate the long memory of high frequency time series with potential structural breaks. Based on the original HYGARCH model, we use the logarithm transformation to ensure the positivity of conditional variance. The structural change is further allowed via a flexible time-dependent intercept in the conditional variance equation. To demonstrate its effectiveness, we perform a range of Monte Carlo studies considering various data generating processes with and without structural changes. Empirical testing of the A-HYEGARCH model is also conducted using high frequency returns of S&P 500, FTSE 100, ASX 200 and Nikkei 225. Our simulation and empirical evidence demonstrate that the proposed A-HYEGARCH model outperforms various competing specifications and can effectively control for structural breaks. Therefore, our model may provide more reliable estimates of long memory and could be a widely useful tool for modelling financial volatility in other contexts.

Combinatorial structures to modeling simple games and applications

Science.gov (United States)

Molinero, Xavier

2017-09-01

We connect three different topics: combinatorial structures, game theory and chemistry. In particular, we establish the bases to represent some simple games, defined as influence games, and molecules, defined from atoms, by using combinatorial structures. First, we characterize simple games as influence games using influence graphs. It let us to modeling simple games as combinatorial structures (from the viewpoint of structures or graphs). Second, we formally define molecules as combinations of atoms. It let us to modeling molecules as combinatorial structures (from the viewpoint of combinations). It is open to generate such combinatorial structures using some specific techniques as genetic algorithms, (meta-)heuristics algorithms and parallel programming, among others.

Database structure for plasma modeling programs

International Nuclear Information System (INIS)

Dufresne, M.; Silvester, P.P.

1993-01-01

Continuum plasma models often use a finite element (FE) formulation. Another approach is simulation models based on particle-in-cell (PIC) formulation. The model equations generally include four nonlinear differential equations specifying the plasma parameters. In simulation a large number of equations must be integrated iteratively to determine the plasma evolution from an initial state. The complexity of the resulting programs is a combination of the physics involved and the numerical method used. The data structure requirements of plasma programs are stated by defining suitable abstract data types. These abstractions are then reduced to data structures and a group of associated algorithms. These are implemented in an object oriented language (C++) as object classes. Base classes encapsulate data management into a group of common functions such as input-output management, instance variable updating and selection of objects by Boolean operations on their instance variables. Operations are thereby isolated from specific element types and uniformity of treatment is guaranteed. Creation of the data structures and associated functions for a particular plasma model is reduced merely to defining the finite element matrices for each equation, or the equations of motion for PIC models. Changes in numerical method or equation alterations are readily accommodated through the mechanism of inheritance, without modification of the data management software. The central data type is an n-relation implemented as a tuple of variable internal structure. Any finite element program may be described in terms of five relational tables: nodes, boundary conditions, sources, material/particle descriptions, and elements. Equivalently, plasma simulation programs may be described using four relational tables: cells, boundary conditions, sources, and particle descriptions

LYRA, a webserver for lymphocyte receptor structural modeling

DEFF Research Database (Denmark)

Klausen, Michael Schantz; Anderson, Mads Valdemar; Jespersen, Martin Closter

2015-01-01

the structural class of each hypervariable loop, selects the best templates in an automatic fashion, and provides within minutes a complete 3D model that can be downloaded or inspected online. Experienced users can manually select or exclude template structures according to case specific information. LYRA......The accurate structural modeling of B- and T-cell receptors is fundamental to gain a detailed insight in the mechanisms underlying immunity and in developing new drugs and therapies. The LYRA (LYmphocyte Receptor Automated modeling) web server (http://www.cbs.dtu.dk/services/LYRA/) implements...... a complete and automated method for building of B- and T-cell receptor structural models starting from their amino acid sequence alone. The webserver is freely available and easy to use for non-specialists. Upon submission, LYRA automatically generates alignments using ad hoc profiles, predicts...

Exploratory Topology Modelling of Form-Active Hybrid Structures

DEFF Research Database (Denmark)

Holden Deleuran, Anders; Pauly, Mark; Tamke, Martin

2016-01-01

The development of novel form-active hybrid structures (FAHS) is impeded by a lack of modelling tools that allow for exploratory topology modelling of shaped assemblies. We present a flexible and real-time computational design modelling pipeline developed for the exploratory modelling of FAHS...... that enables designers and engineers to iteratively construct and manipulate form-active hybrid assembly topology on the fly. The pipeline implements Kangaroo2's projection-based methods for modelling hybrid structures consisting of slender beams and cable networks. A selection of design modelling sketches...

Antibody structural modeling with prediction of immunoglobulin structure (PIGS)

KAUST Repository

Marcatili, Paolo

2014-11-06

© 2014 Nature America, Inc. All rights reserved. Antibodies (or immunoglobulins) are crucial for defending organisms from pathogens, but they are also key players in many medical, diagnostic and biotechnological applications. The ability to predict their structure and the specific residues involved in antigen recognition has several useful applications in all of these areas. Over the years, we have developed or collaborated in developing a strategy that enables researchers to predict the 3D structure of antibodies with a very satisfactory accuracy. The strategy is completely automated and extremely fast, requiring only a few minutes (~10 min on average) to build a structural model of an antibody. It is based on the concept of canonical structures of antibody loops and on our understanding of the way light and heavy chains pack together.

Finite element model updating of natural fibre reinforced composite structure in structural dynamics

Directory of Open Access Journals (Sweden)

Sani M.S.M.

2016-01-01

Full Text Available Model updating is a process of making adjustment of certain parameters of finite element model in order to reduce discrepancy between analytical predictions of finite element (FE and experimental results. Finite element model updating is considered as an important field of study as practical application of finite element method often shows discrepancy to the test result. The aim of this research is to perform model updating procedure on a composite structure as well as trying improving the presumed geometrical and material properties of tested composite structure in finite element prediction. The composite structure concerned in this study is a plate of reinforced kenaf fiber with epoxy. Modal properties (natural frequency, mode shapes, and damping ratio of the kenaf fiber structure will be determined using both experimental modal analysis (EMA and finite element analysis (FEA. In EMA, modal testing will be carried out using impact hammer test while normal mode analysis using FEA will be carried out using MSC. Nastran/Patran software. Correlation of the data will be carried out before optimizing the data from FEA. Several parameters will be considered and selected for the model updating procedure.

Modeling Fission Product Sorption in Graphite Structures

International Nuclear Information System (INIS)

Szlufarska, Izabela; Morgan, Dane; Allen, Todd

2013-01-01

The goal of this project is to determine changes in adsorption and desorption of fission products to/from nuclear-grade graphite in response to a changing chemical environment. First, the project team will employ principle calculations and thermodynamic analysis to predict stability of fission products on graphite in the presence of structural defects commonly observed in very high-temperature reactor (VHTR) graphites. Desorption rates will be determined as a function of partial pressure of oxygen and iodine, relative humidity, and temperature. They will then carry out experimental characterization to determine the statistical distribution of structural features. This structural information will yield distributions of binding sites to be used as an input for a sorption model. Sorption isotherms calculated under this project will contribute to understanding of the physical bases of the source terms that are used in higher-level codes that model fission product transport and retention in graphite. The project will include the following tasks: Perform structural characterization of the VHTR graphite to determine crystallographic phases, defect structures and their distribution, volume fraction of coke, and amount of sp2 versus sp3 bonding. This information will be used as guidance for ab initio modeling and as input for sorptivity models; Perform ab initio calculations of binding energies to determine stability of fission products on the different sorption sites present in nuclear graphite microstructures. The project will use density functional theory (DFT) methods to calculate binding energies in vacuum and in oxidizing environments. The team will also calculate stability of iodine complexes with fission products on graphite sorption sites; Model graphite sorption isotherms to quantify concentration of fission products in graphite. The binding energies will be combined with a Langmuir isotherm statistical model to predict the sorbed concentration of fission products

Three Dimensional Response Spectrum Soil Structure Modeling Versus Conceptual Understanding To Illustrate Seismic Response Of Structures

International Nuclear Information System (INIS)

Touqan, Abdul Razzaq

2008-01-01

Present methods of analysis and mathematical modeling contain so many assumptions that separate them from reality and thus represent a defect in design which makes it difficult to analyze reasons of failure. Three dimensional (3D) modeling is so superior to 1D or 2D modeling, static analysis deviates from the true nature of earthquake load which is ''a dynamic punch'', and conflicting assumptions exist between structural engineers (who assume flexible structures on rigid block foundations) and geotechnical engineers (who assume flexible foundations supporting rigid structures). Thus a 3D dynamic soil-structure interaction is a step that removes many of the assumptions and thus clears reality to a greater extent. However such a model cannot be analytically analyzed. We need to anatomize and analogize it. The paper will represent a conceptual (analogical) 1D model for soil structure interaction and clarifies it by comparing its outcome with 3D dynamic soil-structure finite element analysis of two structures. The aim is to focus on how to calculate the period of the structure and to investigate effect of variation of stiffness on soil-structure interaction

Mechanical modeling of the growth of salt structures

Energy Technology Data Exchange (ETDEWEB)

Alfaro, Ruben Alberto Mazariegos [Texas A & M Univ., College Station, TX (United States)

1993-05-01

A 2D numerical model for studying the morphology and history of salt structures by way of computer simulations is presented. The model is based on conservation laws for physical systems, a fluid marker equation to keep track of the salt/sediments interface, and two constitutive laws for rocksalt. When buoyancy alone is considered, the fluid-assisted diffusion model predicts evolution of salt structures 2.5 times faster than the power-law creep model. Both rheological laws predict strain rates of the order of 4.0 x 10^-15 s^-1 for similar structural maturity level of salt structures. Equivalent stresses and viscosities predicted by the fluid-assisted diffusion law are 10² times smaller than those predicted by the power-law creep rheology. Use of East Texas Basin sedimentation rates and power-law creep rheology indicate that differential loading is an effective mechanism to induce perturbations that amplify and evolve to mature salt structures, similar to those observed under natural geological conditions.

A generative, probabilistic model of local protein structure

DEFF Research Database (Denmark)

Boomsma, Wouter; Mardia, Kanti V.; Taylor, Charles C.

2008-01-01

Despite significant progress in recent years, protein structure prediction maintains its status as one of the prime unsolved problems in computational biology. One of the key remaining challenges is an efficient probabilistic exploration of the structural space that correctly reflects the relative...... conformational stabilities. Here, we present a fully probabilistic, continuous model of local protein structure in atomic detail. The generative model makes efficient conformational sampling possible and provides a framework for the rigorous analysis of local sequence-structure correlations in the native state...

Impact damages modeling in laminated composite structures

Directory of Open Access Journals (Sweden)

Kreculj Dragan D.

2014-01-01

Full Text Available Laminated composites have an important application in modern engineering structures. They are characterized by extraordinary properties, such as: high strength and stiffness and lightweight. Nevertheless, a serious obstacle to more widespread use of those materials is their sensitivity to the impact loads. Impacts cause initiation and development of certain types of damages. Failures that occur in laminated composite structures can be intralaminar and interlaminar. To date it was developed a lot of simulation models for impact damages analysis in laminates. Those models can replace real and expensive testing in laminated structures with a certain accuracy. By using specialized software the damage parameters and distributions can be determined (at certain conditions on laminate structures. With performing numerical simulation of impact on composite laminates there are corresponding results valid for the analysis of these structures.

Outlier Detection in Structural Time Series Models

DEFF Research Database (Denmark)

Marczak, Martyna; Proietti, Tommaso

investigate via Monte Carlo simulations how this approach performs for detecting additive outliers and level shifts in the analysis of nonstationary seasonal time series. The reference model is the basic structural model, featuring a local linear trend, possibly integrated of order two, stochastic seasonality......Structural change affects the estimation of economic signals, like the underlying growth rate or the seasonally adjusted series. An important issue, which has attracted a great deal of attention also in the seasonal adjustment literature, is its detection by an expert procedure. The general......–to–specific approach to the detection of structural change, currently implemented in Autometrics via indicator saturation, has proven to be both practical and effective in the context of stationary dynamic regression models and unit–root autoregressions. By focusing on impulse– and step–indicator saturation, we...

Intelligent structural optimization: Concept, Model and Methods

International Nuclear Information System (INIS)

Lu, Dagang; Wang, Guangyuan; Peng, Zhang

2002-01-01

Structural optimization has many characteristics of Soft Design, and so, it is necessary to apply the experience of human experts to solving the uncertain and multidisciplinary optimization problems in large-scale and complex engineering systems. With the development of artificial intelligence (AI) and computational intelligence (CI), the theory of structural optimization is now developing into the direction of intelligent optimization. In this paper, a concept of Intelligent Structural Optimization (ISO) is proposed. And then, a design process model of ISO is put forward in which each design sub-process model are discussed. Finally, the design methods of ISO are presented

VISCOELASTIC STRUCTURAL MODEL OF ASPHALT CONCRETE

Directory of Open Access Journals (Sweden)

V. Bogomolov

2016-06-01

Full Text Available The viscoelastic rheological model of asphalt concrete based on the generalized Kelvin model is offered. The mathematical model of asphalt concrete viscoelastic behavior that can be used for calculation of asphalt concrete upper layers of non-rigid pavements for strength and rutting has been developed. It has been proved that the structural model of Burgers does not fully meet all the requirements of the asphalt-concrete.

Modelling road accidents: An approach using structural time series

Science.gov (United States)

Junus, Noor Wahida Md; Ismail, Mohd Tahir

2014-09-01

In this paper, the trend of road accidents in Malaysia for the years 2001 until 2012 was modelled using a structural time series approach. The structural time series model was identified using a stepwise method, and the residuals for each model were tested. The best-fitted model was chosen based on the smallest Akaike Information Criterion (AIC) and prediction error variance. In order to check the quality of the model, a data validation procedure was performed by predicting the monthly number of road accidents for the year 2012. Results indicate that the best specification of the structural time series model to represent road accidents is the local level with a seasonal model.

Comparative sequence and structural analyses of G-protein-coupled receptor crystal structures and implications for molecular models.

Directory of Open Access Journals (Sweden)

Catherine L Worth

Full Text Available BACKGROUND: Up until recently the only available experimental (high resolution structure of a G-protein-coupled receptor (GPCR was that of bovine rhodopsin. In the past few years the determination of GPCR structures has accelerated with three new receptors, as well as squid rhodopsin, being successfully crystallized. All share a common molecular architecture of seven transmembrane helices and can therefore serve as templates for building molecular models of homologous GPCRs. However, despite the common general architecture of these structures key differences do exist between them. The choice of which experimental GPCR structure(s to use for building a comparative model of a particular GPCR is unclear and without detailed structural and sequence analyses, could be arbitrary. The aim of this study is therefore to perform a systematic and detailed analysis of sequence-structure relationships of known GPCR structures. METHODOLOGY: We analyzed in detail conserved and unique sequence motifs and structural features in experimentally-determined GPCR structures. Deeper insight into specific and important structural features of GPCRs as well as valuable information for template selection has been gained. Using key features a workflow has been formulated for identifying the most appropriate template(s for building homology models of GPCRs of unknown structure. This workflow was applied to a set of 14 human family A GPCRs suggesting for each the most appropriate template(s for building a comparative molecular model. CONCLUSIONS: The available crystal structures represent only a subset of all possible structural variation in family A GPCRs. Some GPCRs have structural features that are distributed over different crystal structures or which are not present in the templates suggesting that homology models should be built using multiple templates. This study provides a systematic analysis of GPCR crystal structures and a consistent method for identifying

Comparative sequence and structural analyses of G-protein-coupled receptor crystal structures and implications for molecular models.

Science.gov (United States)

Worth, Catherine L; Kleinau, Gunnar; Krause, Gerd

2009-09-16

Up until recently the only available experimental (high resolution) structure of a G-protein-coupled receptor (GPCR) was that of bovine rhodopsin. In the past few years the determination of GPCR structures has accelerated with three new receptors, as well as squid rhodopsin, being successfully crystallized. All share a common molecular architecture of seven transmembrane helices and can therefore serve as templates for building molecular models of homologous GPCRs. However, despite the common general architecture of these structures key differences do exist between them. The choice of which experimental GPCR structure(s) to use for building a comparative model of a particular GPCR is unclear and without detailed structural and sequence analyses, could be arbitrary. The aim of this study is therefore to perform a systematic and detailed analysis of sequence-structure relationships of known GPCR structures. We analyzed in detail conserved and unique sequence motifs and structural features in experimentally-determined GPCR structures. Deeper insight into specific and important structural features of GPCRs as well as valuable information for template selection has been gained. Using key features a workflow has been formulated for identifying the most appropriate template(s) for building homology models of GPCRs of unknown structure. This workflow was applied to a set of 14 human family A GPCRs suggesting for each the most appropriate template(s) for building a comparative molecular model. The available crystal structures represent only a subset of all possible structural variation in family A GPCRs. Some GPCRs have structural features that are distributed over different crystal structures or which are not present in the templates suggesting that homology models should be built using multiple templates. This study provides a systematic analysis of GPCR crystal structures and a consistent method for identifying suitable templates for GPCR homology modelling that will

Modelling the harmonized tertiary Institutions Salary Structure ...

African Journals Online (AJOL)

This paper analyses the Harmonized Tertiary Institution Salary Structure (HATISS IV) used in Nigeria. The irregularities in the structure are highlighted. A model that assumes a polynomial trend for the zero step salary, and exponential trend for the incremental rates, is suggested for the regularization of the structure.

Structural Equation Modeling of Multivariate Time Series

Science.gov (United States)

du Toit, Stephen H. C.; Browne, Michael W.

2007-01-01

The covariance structure of a vector autoregressive process with moving average residuals (VARMA) is derived. It differs from other available expressions for the covariance function of a stationary VARMA process and is compatible with current structural equation methodology. Structural equation modeling programs, such as LISREL, may therefore be…

A Paper Model of DNA Structure and Replication.

Science.gov (United States)

Sigismondi, Linda A.

1989-01-01

A paper model which is designed to give students a hands-on experience during lecture and blackboard instruction on DNA structure is provided. A list of materials, paper patterns, and procedures for using the models to teach DNA structure and replication are given. (CW)

Structure and modeling of turbulence

International Nuclear Information System (INIS)

Novikov, E.A.

1995-01-01

The open-quotes vortex stringsclose quotes scale l s ∼ LRe -3/10 (L-external scale, Re - Reynolds number) is suggested as a grid scale for the large-eddy simulation. Various aspects of the structure of turbulence and subgrid modeling are described in terms of conditional averaging, Markov processes with dependent increments and infinitely divisible distributions. The major request from the energy, naval, aerospace and environmental engineering communities to the theory of turbulence is to reduce the enormous number of degrees of freedom in turbulent flows to a level manageable by computer simulations. The vast majority of these degrees of freedom is in the small-scale motion. The study of the structure of turbulence provides a basis for subgrid-scale (SGS) models, which are necessary for the large-eddy simulations (LES)

Aerodynamic-structural model of offwind yacht sails

Science.gov (United States)

Mairs, Christopher M.

An aerodynamic-structural model of offwind yacht sails was created that is useful in predicting sail forces. Two sails were examined experimentally and computationally at several wind angles to explore a variety of flow regimes. The accuracy of the numerical solutions was measured by comparing to experimental results. The two sails examined were a Code 0 and a reaching asymmetric spinnaker. During experiment, balance, wake, and sail shape data were recorded for both sails in various configurations. Two computational steps were used to evaluate the computational model. First, an aerodynamic flow model that includes viscosity effects was used to examine the experimental flying shapes that were recorded. Second, the aerodynamic model was combined with a nonlinear, structural, finite element analysis (FEA) model. The aerodynamic and structural models were used iteratively to predict final flying shapes of offwind sails, starting with the design shapes. The Code 0 has relatively low camber and is used at small angles of attack. It was examined experimentally and computationally at a single angle of attack in two trim configurations, a baseline and overtrimmed setting. Experimentally, the Code 0 was stable and maintained large flow attachment regions. The digitized flying shapes from experiment were examined in the aerodynamic model. Force area predictions matched experimental results well. When the aerodynamic-structural tool was employed, the predictive capability was slightly worse. The reaching asymmetric spinnaker has higher camber and operates at higher angles of attack than the Code 0. Experimentally and computationally, it was examined at two angles of attack. Like the Code 0, at each wind angle, baseline and overtrimmed settings were examined. Experimentally, sail oscillations and large flow detachment regions were encountered. The computational analysis began by examining the experimental flying shapes in the aerodynamic model. In the baseline setting, the

Nonlinear structural mechanics theory, dynamical phenomena and modeling

CERN Document Server

Lacarbonara, Walter

2013-01-01

Nonlinear Structural Mechanics: Theory, Dynamical Phenomena and Modeling offers a concise, coherent presentation of the theoretical framework of nonlinear structural mechanics, computational methods, applications, parametric investigations of nonlinear phenomena and their mechanical interpretation towards design. The theoretical and computational tools that enable the formulation, solution, and interpretation of nonlinear structures are presented in a systematic fashion so as to gradually attain an increasing level of complexity of structural behaviors, under the prevailing assumptions on the geometry of deformation, the constitutive aspects and the loading scenarios. Readers will find a treatment of the foundations of nonlinear structural mechanics towards advanced reduced models, unified with modern computational tools in the framework of the prominent nonlinear structural dynamic phenomena while tackling both the mathematical and applied sciences. Nonlinear Structural Mechanics: Theory, Dynamical Phenomena...

Stability and the structure of continuous-time economic models

NARCIS (Netherlands)

Nieuwenhuis, H.J.; Schoonbeek, L.

In this paper we investigate the relationship between the stability of macroeconomic, or macroeconometric, continuous-time models and the structure of the matrices appearing in these models. In particular, we concentrate on dominant-diagonal structures. We derive general stability results for models

Exploring the Subtleties of Inverse Probability Weighting and Marginal Structural Models.

Science.gov (United States)

Breskin, Alexander; Cole, Stephen R; Westreich, Daniel

2018-05-01

Since being introduced to epidemiology in 2000, marginal structural models have become a commonly used method for causal inference in a wide range of epidemiologic settings. In this brief report, we aim to explore three subtleties of marginal structural models. First, we distinguish marginal structural models from the inverse probability weighting estimator, and we emphasize that marginal structural models are not only for longitudinal exposures. Second, we explore the meaning of the word "marginal" in "marginal structural model." Finally, we show that the specification of a marginal structural model can have important implications for the interpretation of its parameters. Each of these concepts have important implications for the use and understanding of marginal structural models, and thus providing detailed explanations of them may lead to better practices for the field of epidemiology.

A Structural Modeling Approach to a Multilevel Random Coefficients Model.

Science.gov (United States)

Rovine, Michael J.; Molenaar, Peter C. M.

2000-01-01

Presents a method for estimating the random coefficients model using covariance structure modeling and allowing one to estimate both fixed and random effects. The method is applied to real and simulated data, including marriage data from J. Belsky and M. Rovine (1990). (SLD)

Categorical model of structural operational semantics for imperative language

Directory of Open Access Journals (Sweden)

William Steingartner

2016-12-01

Full Text Available Definition of programming languages consists of the formal definition of syntax and semantics. One of the most popular semantic methods used in various stages of software engineering is structural operational semantics. It describes program behavior in the form of state changes after execution of elementary steps of program. This feature makes structural operational semantics useful for implementation of programming languages and also for verification purposes. In our paper we present a new approach to structural operational semantics. We model behavior of programs in category of states, where objects are states, an abstraction of computer memory and morphisms model state changes, execution of a program in elementary steps. The advantage of using categorical model is its exact mathematical structure with many useful proved properties and its graphical illustration of program behavior as a path, i.e. a composition of morphisms. Our approach is able to accentuate dynamics of structural operational semantics. For simplicity, we assume that data are intuitively typed. Visualization and facility of our model is  not only  a  new model of structural operational semantics of imperative programming languages but it can also serve for education purposes.

Modelling oil price volatility with structural breaks

International Nuclear Information System (INIS)

Salisu, Afees A.; Fasanya, Ismail O.

2013-01-01

In this paper, we provide two main innovations: (i) we analyze oil prices of two prominent markets namely West Texas Intermediate (WTI) and Brent using the two recently developed tests by Narayan and Popp (2010) and Liu and Narayan, 2010 both of which allow for two structural breaks in the data series; and (ii) the latter method is modified to include both symmetric and asymmetric volatility models. We identify two structural breaks that occur in 1990 and 2008 which coincidentally correspond to the Iraqi/Kuwait conflict and the global financial crisis, respectively. We find evidence of persistence and leverage effects in the oil price volatility. While further extensions can be pursued, the consideration of asymmetric effects as well as structural breaks should not be jettisoned when modelling oil price volatility. - Highlights: ► We analyze oil price volatility using NP (2010) and LN (2010) tests. ► We modify the LN (2010) to account for leverage effects in oil price. ► We find two structural breaks that reflect major global crisis in the oil market. ► We find evidence of persistence and leverage effects in oil price volatility. ► Leverage effects and structural breaks are fundamental in oil price modelling.

Bayesian nonlinear structural FE model and seismic input identification for damage assessment of civil structures

Science.gov (United States)

Astroza, Rodrigo; Ebrahimian, Hamed; Li, Yong; Conte, Joel P.

2017-09-01

A methodology is proposed to update mechanics-based nonlinear finite element (FE) models of civil structures subjected to unknown input excitation. The approach allows to jointly estimate unknown time-invariant model parameters of a nonlinear FE model of the structure and the unknown time histories of input excitations using spatially-sparse output response measurements recorded during an earthquake event. The unscented Kalman filter, which circumvents the computation of FE response sensitivities with respect to the unknown model parameters and unknown input excitations by using a deterministic sampling approach, is employed as the estimation tool. The use of measurement data obtained from arrays of heterogeneous sensors, including accelerometers, displacement sensors, and strain gauges is investigated. Based on the estimated FE model parameters and input excitations, the updated nonlinear FE model can be interrogated to detect, localize, classify, and assess damage in the structure. Numerically simulated response data of a three-dimensional 4-story 2-by-1 bay steel frame structure with six unknown model parameters subjected to unknown bi-directional horizontal seismic excitation, and a three-dimensional 5-story 2-by-1 bay reinforced concrete frame structure with nine unknown model parameters subjected to unknown bi-directional horizontal seismic excitation are used to illustrate and validate the proposed methodology. The results of the validation studies show the excellent performance and robustness of the proposed algorithm to jointly estimate unknown FE model parameters and unknown input excitations.

Development of uncertainty-based work injury model using Bayesian structural equation modelling.

Science.gov (United States)

Chatterjee, Snehamoy

2014-01-01

This paper proposed a Bayesian method-based structural equation model (SEM) of miners' work injury for an underground coal mine in India. The environmental and behavioural variables for work injury were identified and causal relationships were developed. For Bayesian modelling, prior distributions of SEM parameters are necessary to develop the model. In this paper, two approaches were adopted to obtain prior distribution for factor loading parameters and structural parameters of SEM. In the first approach, the prior distributions were considered as a fixed distribution function with specific parameter values, whereas, in the second approach, prior distributions of the parameters were generated from experts' opinions. The posterior distributions of these parameters were obtained by applying Bayesian rule. The Markov Chain Monte Carlo sampling in the form Gibbs sampling was applied for sampling from the posterior distribution. The results revealed that all coefficients of structural and measurement model parameters are statistically significant in experts' opinion-based priors, whereas, two coefficients are not statistically significant when fixed prior-based distributions are applied. The error statistics reveals that Bayesian structural model provides reasonably good fit of work injury with high coefficient of determination (0.91) and less mean squared error as compared to traditional SEM.

Modelling point patterns with linear structures

DEFF Research Database (Denmark)

Møller, Jesper; Rasmussen, Jakob Gulddahl

2009-01-01

processes whose realizations contain such linear structures. Such a point process is constructed sequentially by placing one point at a time. The points are placed in such a way that new points are often placed close to previously placed points, and the points form roughly line shaped structures. We...... consider simulations of this model and compare with real data....

Modelling point patterns with linear structures

DEFF Research Database (Denmark)

Møller, Jesper; Rasmussen, Jakob Gulddahl

processes whose realizations contain such linear structures. Such a point process is constructed sequentially by placing one point at a time. The points are placed in such a way that new points are often placed close to previously placed points, and the points form roughly line shaped structures. We...... consider simulations of this model and compare with real data....

Modeling process-structure-property relationships for additive manufacturing

Science.gov (United States)

Yan, Wentao; Lin, Stephen; Kafka, Orion L.; Yu, Cheng; Liu, Zeliang; Lian, Yanping; Wolff, Sarah; Cao, Jian; Wagner, Gregory J.; Liu, Wing Kam

2018-02-01

This paper presents our latest work on comprehensive modeling of process-structure-property relationships for additive manufacturing (AM) materials, including using data-mining techniques to close the cycle of design-predict-optimize. To illustrate the processstructure relationship, the multi-scale multi-physics process modeling starts from the micro-scale to establish a mechanistic heat source model, to the meso-scale models of individual powder particle evolution, and finally to the macro-scale model to simulate the fabrication process of a complex product. To link structure and properties, a highefficiency mechanistic model, self-consistent clustering analyses, is developed to capture a variety of material response. The model incorporates factors such as voids, phase composition, inclusions, and grain structures, which are the differentiating features of AM metals. Furthermore, we propose data-mining as an effective solution for novel rapid design and optimization, which is motivated by the numerous influencing factors in the AM process. We believe this paper will provide a roadmap to advance AM fundamental understanding and guide the monitoring and advanced diagnostics of AM processing.

Further insights on the French WISC-IV factor structure through Bayesian structural equation modeling.

Science.gov (United States)

Golay, Philippe; Reverte, Isabelle; Rossier, Jérôme; Favez, Nicolas; Lecerf, Thierry

2013-06-01

The interpretation of the Wechsler Intelligence Scale for Children--Fourth Edition (WISC-IV) is based on a 4-factor model, which is only partially compatible with the mainstream Cattell-Horn-Carroll (CHC) model of intelligence measurement. The structure of cognitive batteries is frequently analyzed via exploratory factor analysis and/or confirmatory factor analysis. With classical confirmatory factor analysis, almost all cross-loadings between latent variables and measures are fixed to zero in order to allow the model to be identified. However, inappropriate zero cross-loadings can contribute to poor model fit, distorted factors, and biased factor correlations; most important, they do not necessarily faithfully reflect theory. To deal with these methodological and theoretical limitations, we used a new statistical approach, Bayesian structural equation modeling (BSEM), among a sample of 249 French-speaking Swiss children (8-12 years). With BSEM, zero-fixed cross-loadings between latent variables and measures are replaced by approximate zeros, based on informative, small-variance priors. Results indicated that a direct hierarchical CHC-based model with 5 factors plus a general intelligence factor better represented the structure of the WISC-IV than did the 4-factor structure and the higher order models. Because a direct hierarchical CHC model was more adequate, it was concluded that the general factor should be considered as a breadth rather than a superordinate factor. Because it was possible for us to estimate the influence of each of the latent variables on the 15 subtest scores, BSEM allowed improvement of the understanding of the structure of intelligence tests and the clinical interpretation of the subtest scores. PsycINFO Database Record (c) 2013 APA, all rights reserved.

Structural dynamic modifications via models

Indian Academy of Sciences (India)

The study shows that as many as half of the matrix ... the dynamicist's analytical modelling skill which would appear both in the numerator as. Figure 2. ..... Brandon J A 1990 Strategies for structural dynamic modification (New York: John Wiley).

Predicting nucleic acid binding interfaces from structural models of proteins.

Science.gov (United States)

Dror, Iris; Shazman, Shula; Mukherjee, Srayanta; Zhang, Yang; Glaser, Fabian; Mandel-Gutfreund, Yael

2012-02-01

The function of DNA- and RNA-binding proteins can be inferred from the characterization and accurate prediction of their binding interfaces. However, the main pitfall of various structure-based methods for predicting nucleic acid binding function is that they are all limited to a relatively small number of proteins for which high-resolution three-dimensional structures are available. In this study, we developed a pipeline for extracting functional electrostatic patches from surfaces of protein structural models, obtained using the I-TASSER protein structure predictor. The largest positive patches are extracted from the protein surface using the patchfinder algorithm. We show that functional electrostatic patches extracted from an ensemble of structural models highly overlap the patches extracted from high-resolution structures. Furthermore, by testing our pipeline on a set of 55 known nucleic acid binding proteins for which I-TASSER produces high-quality models, we show that the method accurately identifies the nucleic acids binding interface on structural models of proteins. Employing a combined patch approach we show that patches extracted from an ensemble of models better predicts the real nucleic acid binding interfaces compared with patches extracted from independent models. Overall, these results suggest that combining information from a collection of low-resolution structural models could be a valuable approach for functional annotation. We suggest that our method will be further applicable for predicting other functional surfaces of proteins with unknown structure. Copyright © 2011 Wiley Periodicals, Inc.

Modeling Temporal Evolution and Multiscale Structure in Networks

DEFF Research Database (Denmark)

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

2013-01-01

Many real-world networks exhibit both temporal evolution and multiscale structure. We propose a model for temporally correlated multifurcating hierarchies in complex networks which jointly capture both effects. We use the Gibbs fragmentation tree as prior over multifurcating trees and a change......-point model to account for the temporal evolution of each vertex. We demonstrate that our model is able to infer time-varying multiscale structure in synthetic as well as three real world time-evolving complex networks. Our modeling of the temporal evolution of hierarchies brings new insights...

Applications of Multilevel Structural Equation Modeling to Cross-Cultural Research

Science.gov (United States)

Cheung, Mike W.-L.; Au, Kevin

2005-01-01

Multilevel structural equation modeling (MSEM) has been proposed as an extension to structural equation modeling for analyzing data with nested structure. We have begun to see a few applications in cross-cultural research in which MSEM fits well as the statistical model. However, given that cross-cultural studies can only afford collecting data…

Multiple-lesion track-structure model

International Nuclear Information System (INIS)

Wilson, J.W.; Cucinotta, F.A.; Shinn, J.L.

1992-03-01

A multilesion cell kinetic model is derived, and radiation kinetic coefficients are related to the Katz track structure model. The repair-related coefficients are determined from the delayed plating experiments of Yang et al. for the C3H10T1/2 cell system. The model agrees well with the x ray and heavy ion experiments of Yang et al. for the immediate plating, delaying plating, and fractionated exposure protocols employed by Yang. A study is made of the effects of target fragments in energetic proton exposures and of the repair-deficient target-fragment-induced lesions

The issue of statistical power for overall model fit in evaluating structural equation models

Directory of Open Access Journals (Sweden)

Richard HERMIDA

2015-06-01

Full Text Available Statistical power is an important concept for psychological research. However, examining the power of a structural equation model (SEM is rare in practice. This article provides an accessible review of the concept of statistical power for the Root Mean Square Error of Approximation (RMSEA index of overall model fit in structural equation modeling. By way of example, we examine the current state of power in the literature by reviewing studies in top Industrial-Organizational (I/O Psychology journals using SEMs. Results indicate that in many studies, power is very low, which implies acceptance of invalid models. Additionally, we examined methodological situations which may have an influence on statistical power of SEMs. Results showed that power varies significantly as a function of model type and whether or not the model is the main model for the study. Finally, results indicated that power is significantly related to model fit statistics used in evaluating SEMs. The results from this quantitative review imply that researchers should be more vigilant with respect to power in structural equation modeling. We therefore conclude by offering methodological best practices to increase confidence in the interpretation of structural equation modeling results with respect to statistical power issues.

Power mos devices: structures and modelling procedures

Energy Technology Data Exchange (ETDEWEB)

Rossel, P.; Charitat, G.; Tranduc, H.; Morancho, F.; Moncoqut

1997-05-01

In this survey, the historical evolution of power MOS transistor structures is presented and currently used devices are described. General considerations on current and voltage capabilities are discussed and configurations of popular structures are given. A synthesis of different modelling approaches proposed last three years is then presented, including analytical solutions, for basic electrical parameters such as threshold voltage, on-resistance, saturation and quasi-saturation effects, temperature influence and voltage handling capability. The numerical solutions of basic semiconductor devices is then briefly reviewed along with some typical problems which can be solved this way. A compact circuit modelling method is finally explained with emphasis on dynamic behavior modelling

Structured building model reduction toward parallel simulation

Energy Technology Data Exchange (ETDEWEB)

Dobbs, Justin R. [Cornell University; Hencey, Brondon M. [Cornell University

2013-08-26

Building energy model reduction exchanges accuracy for improved simulation speed by reducing the number of dynamical equations. Parallel computing aims to improve simulation times without loss of accuracy but is poorly utilized by contemporary simulators and is inherently limited by inter-processor communication. This paper bridges these disparate techniques to implement efficient parallel building thermal simulation. We begin with a survey of three structured reduction approaches that compares their performance to a leading unstructured method. We then use structured model reduction to find thermal clusters in the building energy model and allocate processing resources. Experimental results demonstrate faster simulation and low error without any interprocessor communication.

Development and modeling of self-deployable structures

Science.gov (United States)

Neogi, Depankar

Deployable space structures are prefabricated structures which can be transformed from a closed, compact configuration to a predetermined expanded form in which they are stable and can bear loads. The present research effort investigates a new family of deployable structures, called the Self-Deployable Structures (SDS). Unlike other deployable structures, which have rigid members, the SDS members are flexible while the connecting joints are rigid. The joints store the predefined geometry of the deployed structure in the collapsed state. The SDS is stress-free in both deployed and collapsed configurations and results in a self-standing structure which acquires its structural properties after a chemical reaction. Reliability of deployment is one of the most important features of the SDS, since it does not rely on mechanisms that can lock during deployment. The unit building block of these structures is the self-deployable structural element (SDSE). Several SDSE members can be linked to generate a complex building block such as a triangular or a tetrahedral structure. Different SDSE and SDS concepts are investigated in the research work, and the performance of SDS's are experimentally and theoretically explored. Triangular and tetrahedral prototype SDS have been developed and presented. Theoretical efforts include modeling the behavior of 2-dimensional SDSs. Using this design tool, engineers can study the effects of different packing configurations and deployment sequence; and perform optimization on the collapsed state of a structure with different external constraints. The model also predicts if any lockup or entanglement occurs during deployment.

Relating structure and dynamics in organisation models

NARCIS (Netherlands)

Jonkers, C.M.; Treur, J.

2002-01-01

To understand how an organisational structure relates to dynamics is an interesting fundamental challenge in the area of social modelling. Specifications of organisational structure usually have a diagrammatic form that abstracts from more detailed dynamics. Dynamic properties of agent systems,

Relating structure and dynamics in organisation models

NARCIS (Netherlands)

Jonker, C.M.; Treur, J.

2003-01-01

To understand how an organisational structure relates to dynamics is an interesting fundamental challenge in the area of social modelling. Specifications of organisational structure usually have a diagrammatic form that abstracts from more detailed dynamics. Dynamic properties of agent systems, on

Structural modeling techniques by finite element method

International Nuclear Information System (INIS)

Kang, Yeong Jin; Kim, Geung Hwan; Ju, Gwan Jeong

1991-01-01

This book includes introduction table of contents chapter 1 finite element idealization introduction summary of the finite element method equilibrium and compatibility in the finite element solution degrees of freedom symmetry and anti symmetry modeling guidelines local analysis example references chapter 2 static analysis structural geometry finite element models analysis procedure modeling guidelines references chapter 3 dynamic analysis models for dynamic analysis dynamic analysis procedures modeling guidelines and modeling guidelines.

A Bayesian Approach for Structural Learning with Hidden Markov Models

Directory of Open Access Journals (Sweden)

Cen Li

2002-01-01

Full Text Available Hidden Markov Models(HMM have proved to be a successful modeling paradigm for dynamic and spatial processes in many domains, such as speech recognition, genomics, and general sequence alignment. Typically, in these applications, the model structures are predefined by domain experts. Therefore, the HMM learning problem focuses on the learning of the parameter values of the model to fit the given data sequences. However, when one considers other domains, such as, economics and physiology, model structure capturing the system dynamic behavior is not available. In order to successfully apply the HMM methodology in these domains, it is important that a mechanism is available for automatically deriving the model structure from the data. This paper presents a HMM learning procedure that simultaneously learns the model structure and the maximum likelihood parameter values of a HMM from data. The HMM model structures are derived based on the Bayesian model selection methodology. In addition, we introduce a new initialization procedure for HMM parameter value estimation based on the K-means clustering method. Experimental results with artificially generated data show the effectiveness of the approach.

Integrative structural modeling with small angle X-ray scattering profiles

Directory of Open Access Journals (Sweden)

Schneidman-Duhovny Dina

2012-07-01

Full Text Available Abstract Recent technological advances enabled high-throughput collection of Small Angle X-ray Scattering (SAXS profiles of biological macromolecules. Thus, computational methods for integrating SAXS profiles into structural modeling are needed more than ever. Here, we review specifically the use of SAXS profiles for the structural modeling of proteins, nucleic acids, and their complexes. First, the approaches for computing theoretical SAXS profiles from structures are presented. Second, computational methods for predicting protein structures, dynamics of proteins in solution, and assembly structures are covered. Third, we discuss the use of SAXS profiles in integrative structure modeling approaches that depend simultaneously on several data types.

Interactive physically-based structural modeling of hydrocarbon systems

International Nuclear Information System (INIS)

Bosson, Mael; Grudinin, Sergei; Bouju, Xavier; Redon, Stephane

2012-01-01

Hydrocarbon systems have been intensively studied via numerical methods, including electronic structure computations, molecular dynamics and Monte Carlo simulations. Typically, these methods require an initial structural model (atomic positions and types, topology, etc.) that may be produced using scripts and/or modeling tools. For many systems, however, these building methods may be ineffective, as the user may have to specify the positions of numerous atoms while maintaining structural plausibility. In this paper, we present an interactive physically-based modeling tool to construct structural models of hydrocarbon systems. As the user edits the geometry of the system, atomic positions are also influenced by the Brenner potential, a well-known bond-order reactive potential. In order to be able to interactively edit systems containing numerous atoms, we introduce a new adaptive simulation algorithm, as well as a novel algorithm to incrementally update the forces and the total potential energy based on the list of updated relative atomic positions. The computational cost of the adaptive simulation algorithm depends on user-defined error thresholds, and our potential update algorithm depends linearly with the number of updated bonds. This allows us to enable efficient physically-based editing, since the computational cost is decoupled from the number of atoms in the system. We show that our approach may be used to effectively build realistic models of hydrocarbon structures that would be difficult or impossible to produce using other tools.

Design of scaled down structural models

Science.gov (United States)

Simitses, George J.

1994-07-01

In the aircraft industry, full scale and large component testing is a very necessary, time consuming, and expensive process. It is essential to find ways by which this process can be minimized without loss of reliability. One possible alternative is the use of scaled down models in testing and use of the model test results in order to predict the behavior of the larger system, referred to herein as prototype. This viewgraph presentation provides justifications and motivation for the research study, and it describes the necessary conditions (similarity conditions) for two structural systems to be structurally similar with similar behavioral response. Similarity conditions provide the relationship between a scaled down model and its prototype. Thus, scaled down models can be used to predict the behavior of the prototype by extrapolating their experimental data. Since satisfying all similarity conditions simultaneously is in most cases impractical, distorted models with partial similarity can be employed. Establishment of similarity conditions, based on the direct use of the governing equations, is discussed and their use in the design of models is presented. Examples include the use of models for the analysis of cylindrical bending of orthotropic laminated beam plates, of buckling of symmetric laminated rectangular plates subjected to uniform uniaxial compression and shear, applied individually, and of vibrational response of the same rectangular plates. Extensions and future tasks are also described.

Assessment of structural model and parameter uncertainty with a multi-model system for soil water balance models

Science.gov (United States)

Michalik, Thomas; Multsch, Sebastian; Frede, Hans-Georg; Breuer, Lutz

2016-04-01

Water for agriculture is strongly limited in arid and semi-arid regions and often of low quality in terms of salinity. The application of saline waters for irrigation increases the salt load in the rooting zone and has to be managed by leaching to maintain a healthy soil, i.e. to wash out salts by additional irrigation. Dynamic simulation models are helpful tools to calculate the root zone water fluxes and soil salinity content in order to investigate best management practices. However, there is little information on structural and parameter uncertainty for simulations regarding the water and salt balance of saline irrigation. Hence, we established a multi-model system with four different models (AquaCrop, RZWQM, SWAP, Hydrus1D/UNSATCHEM) to analyze the structural and parameter uncertainty by using the Global Likelihood and Uncertainty Estimation (GLUE) method. Hydrus1D/UNSATCHEM and SWAP were set up with multiple sets of different implemented functions (e.g. matric and osmotic stress for root water uptake) which results in a broad range of different model structures. The simulations were evaluated against soil water and salinity content observations. The posterior distribution of the GLUE analysis gives behavioral parameters sets and reveals uncertainty intervals for parameter uncertainty. Throughout all of the model sets, most parameters accounting for the soil water balance show a low uncertainty, only one or two out of five to six parameters in each model set displays a high uncertainty (e.g. pore-size distribution index in SWAP and Hydrus1D/UNSATCHEM). The differences between the models and model setups reveal the structural uncertainty. The highest structural uncertainty is observed for deep percolation fluxes between the model sets of Hydrus1D/UNSATCHEM (~200 mm) and RZWQM (~500 mm) that are more than twice as high for the latter. The model sets show a high variation in uncertainty intervals for deep percolation as well, with an interquartile range (IQR) of

Acoustic Modeling of Lightweight Structures: A Literature Review

Science.gov (United States)

Yang, Shasha; Shen, Cheng

2017-10-01

This paper gives an overview of acoustic modeling for three kinds of typical lightweight structures including double-leaf plate system, stiffened single (or double) plate and porous material. Classical models are citied to provide frame work of theoretical modeling for acoustic property of lightweight structures; important research advances derived by our research group and other authors are introduced to describe the current state of art for acoustic research. Finally, remaining problems and future research directions are concluded and prospected briefly

Impact of model structure and parameterization on Penman-Monteith type evaporation models

KAUST Repository

Ershadi, A.

2015-04-12

The impact of model structure and parameterization on the estimation of evaporation is investigated across a range of Penman-Monteith type models. To examine the role of model structure on flux retrievals, three different retrieval schemes are compared. The schemes include a traditional single-source Penman-Monteith model (Monteith, 1965), a two-layer model based on Shuttleworth and Wallace (1985) and a three-source model based on Mu et al. (2011). To assess the impact of parameterization choice on model performance, a number of commonly used formulations for aerodynamic and surface resistances were substituted into the different formulations. Model response to these changes was evaluated against data from twenty globally distributed FLUXNET towers, representing a cross-section of biomes that include grassland, cropland, shrubland, evergreen needleleaf forest and deciduous broadleaf forest. Scenarios based on 14 different combinations of model structure and parameterization were ranked based on their mean value of Nash-Sutcliffe Efficiency. Results illustrated considerable variability in model performance both within and between biome types. Indeed, no single model consistently outperformed any other when considered across all biomes. For instance, in grassland and shrubland sites, the single-source Penman-Monteith model performed the best. In croplands it was the three-source Mu model, while for evergreen needleleaf and deciduous broadleaf forests, the Shuttleworth-Wallace model rated highest. Interestingly, these top ranked scenarios all shared the simple lookup-table based surface resistance parameterization of Mu et al. (2011), while a more complex Jarvis multiplicative method for surface resistance produced lower ranked simulations. The highly ranked scenarios mostly employed a version of the Thom (1975) formulation for aerodynamic resistance that incorporated dynamic values of roughness parameters. This was true for all cases except over deciduous broadleaf

A structural bond strength model for glass durability

International Nuclear Information System (INIS)

Feng, Xiangdong; Metzger, T.B.

1996-01-01

A glass durability model, structural bond strength (SBS) model was developed to correlate glass durability with its composition. This model assumes that the strengths of the bonds between cations and oxygens and the structural roles of the individual elements in the glass arc the predominant factors controlling the composition dependence of the chemical durability of glasses. The structural roles of oxides in glass are classified as network formers, network breakers, and intermediates. The structural roles of the oxides depend upon glass composition and the redox state of oxides. Al 2 O 3 , ZrO 2 , Fe 2 O 3 , and B 2 O 3 are assigned as network formers only when there are sufficient alkalis to bind with these oxides. CaO can also improve durability by sharing non-bridging oxygen with alkalis, relieving SiO 2 from alkalis. The percolation phenomenon in glass is also taken into account. The SBS model is applied to correlate the 7-day product consistency test durability of 42 low-level waste glasses with their composition with an R 2 of 0.87, which is better than 0.81 obtained with an eight-coefficient empirical first-order mixture model on the same data set

Molecular structure based property modeling: Development/ improvement of property models through a systematic property-data-model analysis

DEFF Research Database (Denmark)

Hukkerikar, Amol Shivajirao; Sarup, Bent; Sin, Gürkan

2013-01-01

models. To make the property-data-model analysis fast and efficient, an approach based on the “molecular structure similarity criteria” to identify molecules (mono-functional, bi-functional, etc.) containing specified set of structural parameters (that is, groups) is employed. The method has been applied...

Principles and practice of structural equation modeling

CERN Document Server

Kline, Rex B

2015-01-01

Emphasizing concepts and rationale over mathematical minutiae, this is the most widely used, complete, and accessible structural equation modeling (SEM) text. Continuing the tradition of using real data examples from a variety of disciplines, the significantly revised fourth edition incorporates recent developments such as Pearl's graphing theory and the structural causal model (SCM), measurement invariance, and more. Readers gain a comprehensive understanding of all phases of SEM, from data collection and screening to the interpretation and reporting of the results. Learning is enhanced by ex

Modelling of Radiolytical Proceses in Polystyrenic Structures

International Nuclear Information System (INIS)

Postolache, C.

2006-01-01

The behavior of polystyrene, poly α-methylstyrene and poly β-methylstyrene structures in ionizing fields was analyzed using computational methods. In this study, the primary radiolytic effect was evaluated using a free radical mechanism. Molecular structures were built and geometrical optimized using quantum-chemical methods. Binding energies for different quantum states and peripheral orbitals distribution were determined. Based on obtained results it was proposed an evaluation model of radiolytical processes in polymers in solid phase. Suggested model suppose to distinguish the dominant processes by binding energies values analysis and LUMO peripheral orbital distribution. Computed binding energies analysis of energetically optimized molecular structures in ionized state (charge +1, multiplicity 2) reveals a high similitude of obtained binding energies for ionized states. The same similitude was observed also in case of total binding energies for neutral state (charge 0, multiplicity 1). Analyzed molecular structures can be associated with ionized molecule state right after one electron capture. This fact suggests that the determined stage of radiolitical fragmentation act is intermediate state of ionized molecule. This molecule captured one electron but it had no necessary time for atoms rearrangement in the molecule for new quantum state. This supposition is in accordance with literature, the time period between excitation act and fragmentation act being lower than 10 - 15 seconds. Based on realized model could be explained the behavior differences of polymeric structures in ionizing radiation field. Preferential fracture of main chains in fragmentation poly α-methylstirene can be explained in accordance with proposed model by C-C from main C bonding energies decreasing in the neighboring of quaternary C

Structural identifiability analysis of a cardiovascular system model.

Science.gov (United States)

Pironet, Antoine; Dauby, Pierre C; Chase, J Geoffrey; Docherty, Paul D; Revie, James A; Desaive, Thomas

2016-05-01

The six-chamber cardiovascular system model of Burkhoff and Tyberg has been used in several theoretical and experimental studies. However, this cardiovascular system model (and others derived from it) are not identifiable from any output set. In this work, two such cases of structural non-identifiability are first presented. These cases occur when the model output set only contains a single type of information (pressure or volume). A specific output set is thus chosen, mixing pressure and volume information and containing only a limited number of clinically available measurements. Then, by manipulating the model equations involving these outputs, it is demonstrated that the six-chamber cardiovascular system model is structurally globally identifiable. A further simplification is made, assuming known cardiac valve resistances. Because of the poor practical identifiability of these four parameters, this assumption is usual. Under this hypothesis, the six-chamber cardiovascular system model is structurally identifiable from an even smaller dataset. As a consequence, parameter values computed from limited but well-chosen datasets are theoretically unique. This means that the parameter identification procedure can safely be performed on the model from such a well-chosen dataset. Thus, the model may be considered suitable for use in diagnosis. Copyright © 2016 IPEM. Published by Elsevier Ltd. All rights reserved.

Self-consistent mean-field models for nuclear structure

International Nuclear Information System (INIS)

Bender, Michael; Heenen, Paul-Henri; Reinhard, Paul-Gerhard

2003-01-01

The authors review the present status of self-consistent mean-field (SCMF) models for describing nuclear structure and low-energy dynamics. These models are presented as effective energy-density functionals. The three most widely used variants of SCMF's based on a Skyrme energy functional, a Gogny force, and a relativistic mean-field Lagrangian are considered side by side. The crucial role of the treatment of pairing correlations is pointed out in each case. The authors discuss other related nuclear structure models and present several extensions beyond the mean-field model which are currently used. Phenomenological adjustment of the model parameters is discussed in detail. The performance quality of the SCMF model is demonstrated for a broad range of typical applications

Deep inelastic structure functions in the chiral bag model

International Nuclear Information System (INIS)

Sanjose, V.; Vento, V.; Centro Mixto CSIC/Valencia Univ., Valencia

1989-01-01

We calculate the structure functions for deep inelastic scattering on baryons in the cavity approximation to the chiral bag model. The behavior of these structure functions is analyzed in the Bjorken limit. We conclude that scaling is satisfied, but not Regge behavior. A trivial extension as a parton model can be achieved by introducing the structure function for the pion in a convolution picture. In this extended version of the model not only scaling but also Regge behavior is satisfied. Conclusions are drawn from the comparison of our results with experimental data. (orig.)

Deep inelastic structure functions in the chiral bag model

Energy Technology Data Exchange (ETDEWEB)

Sanjose, V. (Valencia Univ. (Spain). Dept. de Didactica de las Ciencias Experimentales); Vento, V. (Valencia Univ. (Spain). Dept. de Fisica Teorica; Centro Mixto CSIC/Valencia Univ., Valencia (Spain). Inst. de Fisica Corpuscular)

1989-10-02

We calculate the structure functions for deep inelastic scattering on baryons in the cavity approximation to the chiral bag model. The behavior of these structure functions is analyzed in the Bjorken limit. We conclude that scaling is satisfied, but not Regge behavior. A trivial extension as a parton model can be achieved by introducing the structure function for the pion in a convolution picture. In this extended version of the model not only scaling but also Regge behavior is satisfied. Conclusions are drawn from the comparison of our results with experimental data. (orig.).

Tectonic forward modelling of positive inversion structures

Energy Technology Data Exchange (ETDEWEB)

Brandes, C. [Leibniz Univ. Hannover (Germany). Inst. fuer Geologie; Schmidt, C. [Landesamt fuer Bergbau, Energie und Geologie (LBEG), Hannover (Germany)

2013-08-01

Positive tectonic inversion structures are common features that were recognized in many deformed sedimentary basins (Lowell, 1995). They are characterized by a two phase fault evolution, where initial normal faulting was followed by reverse faulting along the same fault, accompanied by the development of hanging wall deformation. Analysing the evolution of such inversion structures is important for understanding the tectonics of sedimentary basins and the formation of hydrocarbon traps. We used a 2D tectonic forward modelling approach to simulate the stepwise structural evolution of inversion structures in cross-section. The modelling was performed with the software FaultFold Forward v. 6, which is based on trishear kinematics (Zehnder and Allmendinger, 2000). Key aspect of the study was to derive the controlling factors for the geometry of inversion structures. The simulation results show, that the trishear approach is able to reproduce the geometry of tectonic inversion structures in a realistic way. This implies that inversion structures are simply fault-related folds that initiated as extensional fault-propagation folds, which were subsequently transformed into compressional fault-propagation folds when the stress field changed. The hanging wall deformation is a consequence of the decrease in slip towards the tip line of the fault. Trishear angle and propagation-to-slip ratio are the key controlling factors for the geometry of the fault-related deformation. We tested trishear angles in the range of 30 - 60 and propagation-to-slip ratios between 1 and 2 in increments of 0.1. Small trishear angles and low propagation-to-slip ratios produced tight folds, whereas large trishear angles and high propagation-to-slip ratios led to more open folds with concentric shapes. This has a direct effect on the size and geometry of potential hydrocarbon traps. The 2D simulations can be extended to a pseudo 3D approach, where a set of parallel cross-sections is used to describe

Plant lessons: exploring ABCB functionality through structural modeling

Directory of Open Access Journals (Sweden)

Aurélien eBailly

2012-01-01

Full Text Available In contrast to mammalian ABCB1 proteins, narrow substrate specificity has been extensively documented for plant orthologs shown to catalyze the transport of the plant hormone, auxin. Using the crystal structures of the multidrug exporters Sav1866 and MmABCB1 as templates, we have developed structural models of plant ABCB proteins with a common architecture. Comparisons of these structures identified kingdom-specific candidate substrate-binding regions within the translocation chamber formed by the transmembrane domains of ABCBs from the model plant Arabidopsis. These results suggest an early evolutionary divergence of plant and mammalian ABCBs. Validation of these models becomes a priority for efforts to elucidate ABCB function and manipulate this class of transporters to enhance plant productivity and quality.

Modelling of internal structure in seismic analysis of a PHWR building

International Nuclear Information System (INIS)

Reddy, G.R.; Vaze, K.K.; Kushawaha, H.S.; Ingle, R.K.; Subramanian, K.V.

1991-01-01

Seismic analysis of complex and large structures, consisting of thick shear walls, such as Reactor Building is very involved and time consuming. It is a standard practice to model the structure as a stick model to predict reasonably the dynamic behaviour of the structure. It is required to determine approximate equivalent sectional properties of Internal Structure for representation in the stick model. The restraint to warping can change the stress distribution thus affecting the centre of rigidity and torsional inertia, Hence, standard formulae does not hold good for determination of sectional properties of the Internal Structure. In this case the equivalent sectional properties for the Internal Structure are calculated using a Finite Element Model (FEM) of the Internal Structure and applying unit horizontal forces in each direction. A 3-D stick model is developed using the guidelines. Using the properties calculated by FEM and also by standard formulae, the responses of the 3-D stick model are compared. (J.P.N.)

Numerical Modelling of the Dynamic Response of High-Speed Railway Bridges Considering Vehicle-Structure and Structure-Soil-Structure Interaction

DEFF Research Database (Denmark)

Bucinskas, Paulius; Agapii, L.; Sneideris, J.

2015-01-01

is idealized as a multi-degree-of-freedom system, modelled with two layers of spring-dashpot suspension systems. Coupling the vehicle system and railway track is realized through interaction forces between the wheels and the rail, where the irregularities of the track are implemented as a random stationary......The aim of this paper is the dynamic analysis of a multi-support bridge structure exposed to high-speed railway traffic. The proposed computational model has a unified approach for simultaneously accounting for the bridge structure response, soil response and forces induced by the vehicle....... The bridge structure is modelled in three dimensions based on the finite element method using two-noded three-dimensional beam elements. The track structure is composed of three layers: rail, sleepers and deck which are connected through spring-dashpot systems. The vehicle travelling along a bridge...

Modeling of the atomic and electronic structures of interfaces

International Nuclear Information System (INIS)

Sutton, A.P.

1988-01-01

Recent tight binding and Car-Parrinello simulations of grain boundaries in semiconductors are reviewed. A critique is given of some models of embrittlement that are based on electronic structure considerations. The structural unit model of grain boundary structure is critically assessed using some results for mixed tilt and twist grain boundaries. A new method of characterizing interfacial structure in terms of bond angle distribution functions is described. A new formulation of thermodynamic properties of interfaces is presented which focusses on the local atomic environment. Effective, temperature dependent N-body atomic interactions are derived for studying grain boundary structure at elevated temperature

Detection and analysis of unusual features in the structural model and structure-factor data of a birch pollen allergen

International Nuclear Information System (INIS)

Rupp, Bernhard

2012-01-01

The structure factors deposited with PDB entry 3k78 show properties inconsistent with experimentally observed diffraction data, and without uncertainty represent calculated structure factors. The refinement of the model against these structure factors leads to an isomorphous structure different from the deposited model with an implausibly small R value (0.019). Physically improbable features in the model of the birch pollen structure Bet v 1d are faithfully reproduced in electron density generated with the deposited structure factors, but these structure factors themselves exhibit properties that are characteristic of data calculated from a simple model and are inconsistent with the data and error model obtained through experimental measurements. The refinement of the model against these structure factors leads to an isomorphous structure different from the deposited model with an implausibly small R value (0.019). The abnormal refinement is compared with normal refinement of an isomorphous variant structure of Bet v 1l. A variety of analytical tools, including the application of Diederichs plots, Rσ plots and bulk-solvent analysis are discussed as promising aids in validation. The examination of the Bet v 1d structure also cautions against the practice of indicating poorly defined protein chain residues through zero occupancies. The recommendation to preserve diffraction images is amplified

Physical Modelling of Geotechnical Structures in Ports and Offshore

Directory of Open Access Journals (Sweden)

Bałachowski Lech

2017-04-01

Full Text Available The physical modelling of subsoil behaviour and soil-structure interaction is essential for the proper design of offshore structures and port infrastructure. A brief introduction to such modelling of geoengineering problems is presented and some methods and experimental devices are described. The relationships between modelling scales are given. Some examples of penetration testing results in centrifuge and calibration chamber are presented. Prospects for physical modelling in geotechnics are also described.

Nonlocal continuum-based modeling of mechanical characteristics of nanoscopic structures

Energy Technology Data Exchange (ETDEWEB)

Rafii-Tabar, Hashem, E-mail: rafii-tabar@nano.ipm.ac.ir [Department of Medical Physics and Biomedical Engineering, Faculty of Medicine, Shahid Beheshti University of Medical Sciences, Tehran (Iran, Islamic Republic of); Ghavanloo, Esmaeal, E-mail: ghavanloo@shirazu.ac.ir [School of Mechanical Engineering, Shiraz University, Shiraz 71963-16548 (Iran, Islamic Republic of); Fazelzadeh, S. Ahmad [School of Mechanical Engineering, Shiraz University, Shiraz 71963-16548 (Iran, Islamic Republic of)

2016-06-06

Insight into the mechanical characteristics of nanoscopic structures is of fundamental interest and indeed poses a great challenge to the research communities around the world. These structures are ultra fine in size and consequently performing standard experiments to measure their various properties is an extremely difficult and expensive endeavor. Hence, to predict the mechanical characteristics of the nanoscopic structures, different theoretical models, numerical modeling techniques, and computer-based simulation methods have been developed. Among several proposed approaches, the nonlocal continuum-based modeling is of particular significance because the results obtained from this modeling for different nanoscopic structures are in very good agreement with the data obtained from both experimental and atomistic-based studies. A review of the essentials of this model together with its applications is presented here. Our paper is a self contained presentation of the nonlocal elasticity theory and contains the analysis of the recent works employing this model within the field of nanoscopic structures. In this review, the concepts from both the classical (local) and the nonlocal elasticity theories are presented and their applications to static and dynamic behavior of nanoscopic structures with various morphologies are discussed. We first introduce the various nanoscopic structures, both carbon-based and non carbon-based types, and then after a brief review of the definitions and concepts from classical elasticity theory, and the basic assumptions underlying size-dependent continuum theories, the mathematical details of the nonlocal elasticity theory are presented. A comprehensive discussion on the nonlocal version of the beam, the plate and the shell theories that are employed in modeling of the mechanical properties and behavior of nanoscopic structures is then provided. Next, an overview of the current literature discussing the application of the nonlocal models

Nonlocal continuum-based modeling of mechanical characteristics of nanoscopic structures

International Nuclear Information System (INIS)

Rafii-Tabar, Hashem; Ghavanloo, Esmaeal; Fazelzadeh, S. Ahmad

2016-01-01

Insight into the mechanical characteristics of nanoscopic structures is of fundamental interest and indeed poses a great challenge to the research communities around the world. These structures are ultra fine in size and consequently performing standard experiments to measure their various properties is an extremely difficult and expensive endeavor. Hence, to predict the mechanical characteristics of the nanoscopic structures, different theoretical models, numerical modeling techniques, and computer-based simulation methods have been developed. Among several proposed approaches, the nonlocal continuum-based modeling is of particular significance because the results obtained from this modeling for different nanoscopic structures are in very good agreement with the data obtained from both experimental and atomistic-based studies. A review of the essentials of this model together with its applications is presented here. Our paper is a self contained presentation of the nonlocal elasticity theory and contains the analysis of the recent works employing this model within the field of nanoscopic structures. In this review, the concepts from both the classical (local) and the nonlocal elasticity theories are presented and their applications to static and dynamic behavior of nanoscopic structures with various morphologies are discussed. We first introduce the various nanoscopic structures, both carbon-based and non carbon-based types, and then after a brief review of the definitions and concepts from classical elasticity theory, and the basic assumptions underlying size-dependent continuum theories, the mathematical details of the nonlocal elasticity theory are presented. A comprehensive discussion on the nonlocal version of the beam, the plate and the shell theories that are employed in modeling of the mechanical properties and behavior of nanoscopic structures is then provided. Next, an overview of the current literature discussing the application of the nonlocal models

Evolving the structure of hidden Markov Models

DEFF Research Database (Denmark)

won, K. J.; Prugel-Bennett, A.; Krogh, A.

2006-01-01

A genetic algorithm (GA) is proposed for finding the structure of hidden Markov Models (HMMs) used for biological sequence analysis. The GA is designed to preserve biologically meaningful building blocks. The search through the space of HMM structures is combined with optimization of the emission...... and transition probabilities using the classic Baum-Welch algorithm. The system is tested on the problem of finding the promoter and coding region of C. jejuni. The resulting HMM has a superior discrimination ability to a handcrafted model that has been published in the literature....

Structural equation modeling and natural systems

Science.gov (United States)

Grace, James B.

2006-01-01

This book, first published in 2006, presents an introduction to the methodology of structural equation modeling, illustrates its use, and goes on to argue that it has revolutionary implications for the study of natural systems. A major theme of this book is that we have, up to this point, attempted to study systems primarily using methods (such as the univariate model) that were designed only for considering individual processes. Understanding systems requires the capacity to examine simultaneous influences and responses. Structural equation modeling (SEM) has such capabilities. It also possesses many other traits that add strength to its utility as a means of making scientific progress. In light of the capabilities of SEM, it can be argued that much of ecological theory is currently locked in an immature state that impairs its relevance. It is further argued that the principles of SEM are capable of leading to the development and evaluation of multivariate theories of the sort vitally needed for the conservation of natural systems.

Localized structures and front propagation in the Lengyel-Epstein model

DEFF Research Database (Denmark)

Jensen, O.; Pannbacker, Viggo Ole; Mosekilde, Erik

1994-01-01

Pattern selection, localized structure formation, and front propagation are analyzed within the framework of a model for the chlorine dioxide-iodine-malonic acid reaction that represents a key to understanding recently obtained Turing structures. This model is distinguished from previously studied......, simple reaction-diffusion models by producing a strongly subcritical transition to stripes. The wave number for the modes of maximum linear gain is calculated and compared with the dominant wave number for the finally selected, stationary structures grown from the homogeneous steady state or developed...... bifurcation. In the subcritical regime there is an interval where the front velocity vanishes as a result of a pinning of the front to the underlying structure. In 2D, two different nucleation mechanisms for hexagonal structures are illustrated on the Lengyel-Epstein and the Brusselator model. Finally...

Testing the Structure of Hydrological Models using Genetic Programming

Science.gov (United States)

Selle, B.; Muttil, N.

2009-04-01

Genetic Programming is able to systematically explore many alternative model structures of different complexity from available input and response data. We hypothesised that genetic programming can be used to test the structure hydrological models and to identify dominant processes in hydrological systems. To test this, genetic programming was used to analyse a data set from a lysimeter experiment in southeastern Australia. The lysimeter experiment was conducted to quantify the deep percolation response under surface irrigated pasture to different soil types, water table depths and water ponding times during surface irrigation. Using genetic programming, a simple model of deep percolation was consistently evolved in multiple model runs. This simple and interpretable model confirmed the dominant process contributing to deep percolation represented in a conceptual model that was published earlier. Thus, this study shows that genetic programming can be used to evaluate the structure of hydrological models and to gain insight about the dominant processes in hydrological systems.

Bi-directional evolutionary structural optimization for strut-and-tie modelling of three-dimensional structural concrete

Science.gov (United States)

Shobeiri, Vahid; Ahmadi-Nedushan, Behrouz

2017-12-01

This article presents a method for the automatic generation of optimal strut-and-tie models in reinforced concrete structures using a bi-directional evolutionary structural optimization method. The methodology presented is developed for compliance minimization relying on the Abaqus finite element software package. The proposed approach deals with the generation of truss-like designs in a three-dimensional environment, addressing the design of corbels and joints as well as bridge piers and pile caps. Several three-dimensional examples are provided to show the capabilities of the proposed framework in finding optimal strut-and-tie models in reinforced concrete structures and verifying its efficiency to cope with torsional actions. Several issues relating to the use of the topology optimization for strut-and-tie modelling of structural concrete, such as chequerboard patterns, mesh-dependency and multiple load cases, are studied. In the last example, a design procedure for detailing and dimensioning of the strut-and-tie models is given according to the American Concrete Institute (ACI) 318-08 provisions.

Fast flexible modeling of RNA structure using internal coordinates.

Science.gov (United States)

Flores, Samuel Coulbourn; Sherman, Michael A; Bruns, Christopher M; Eastman, Peter; Altman, Russ Biagio

2011-01-01

Modeling the structure and dynamics of large macromolecules remains a critical challenge. Molecular dynamics (MD) simulations are expensive because they model every atom independently, and are difficult to combine with experimentally derived knowledge. Assembly of molecules using fragments from libraries relies on the database of known structures and thus may not work for novel motifs. Coarse-grained modeling methods have yielded good results on large molecules but can suffer from difficulties in creating more detailed full atomic realizations. There is therefore a need for molecular modeling algorithms that remain chemically accurate and economical for large molecules, do not rely on fragment libraries, and can incorporate experimental information. RNABuilder works in the internal coordinate space of dihedral angles and thus has time requirements proportional to the number of moving parts rather than the number of atoms. It provides accurate physics-based response to applied forces, but also allows user-specified forces for incorporating experimental information. A particular strength of RNABuilder is that all Leontis-Westhof basepairs can be specified as primitives by the user to be satisfied during model construction. We apply RNABuilder to predict the structure of an RNA molecule with 160 bases from its secondary structure, as well as experimental information. Our model matches the known structure to 10.2 Angstroms RMSD and has low computational expense.

A hidden markov model derived structural alphabet for proteins.

Science.gov (United States)

Camproux, A C; Gautier, R; Tufféry, P

2004-06-04

Understanding and predicting protein structures depends on the complexity and the accuracy of the models used to represent them. We have set up a hidden Markov model that discretizes protein backbone conformation as series of overlapping fragments (states) of four residues length. This approach learns simultaneously the geometry of the states and their connections. We obtain, using a statistical criterion, an optimal systematic decomposition of the conformational variability of the protein peptidic chain in 27 states with strong connection logic. This result is stable over different protein sets. Our model fits well the previous knowledge related to protein architecture organisation and seems able to grab some subtle details of protein organisation, such as helix sub-level organisation schemes. Taking into account the dependence between the states results in a description of local protein structure of low complexity. On an average, the model makes use of only 8.3 states among 27 to describe each position of a protein structure. Although we use short fragments, the learning process on entire protein conformations captures the logic of the assembly on a larger scale. Using such a model, the structure of proteins can be reconstructed with an average accuracy close to 1.1A root-mean-square deviation and for a complexity of only 3. Finally, we also observe that sequence specificity increases with the number of states of the structural alphabet. Such models can constitute a very relevant approach to the analysis of protein architecture in particular for protein structure prediction.

Measuring and modelling the structure of chocolate

Science.gov (United States)

Le Révérend, Benjamin J. D.; Fryer, Peter J.; Smart, Ian; Bakalis, Serafim

2015-01-01

The cocoa butter present in chocolate exists as six different polymorphs. To achieve the desired crystal form (βV), traditional chocolate manufacturers use relatively slow cooling (chocolate products during processing as well as the crystal structure of cocoa butter throughout the process. A set of ordinary differential equations describes the kinetics of fat crystallisation. The parameters were obtained by fitting the model to a set of DSC curves. The heat transfer equations were coupled to the kinetic model and solved using commercially available CFD software. A method using single crystal XRD was developed using a novel subtraction method to quantify the cocoa butter structure in chocolate directly and results were compared to the ones predicted from the model. The model was proven to predict phase change temperature during processing accurately (±1°C). Furthermore, it was possible to correctly predict phase changes and polymorphous transitions. The good agreement between the model and experimental data on the model geometry allows a better design and control of industrial processes.

Three novel approaches to structural identifiability analysis in mixed-effects models.

Science.gov (United States)

Janzén, David L I; Jirstrand, Mats; Chappell, Michael J; Evans, Neil D

2016-05-06

Structural identifiability is a concept that considers whether the structure of a model together with a set of input-output relations uniquely determines the model parameters. In the mathematical modelling of biological systems, structural identifiability is an important concept since biological interpretations are typically made from the parameter estimates. For a system defined by ordinary differential equations, several methods have been developed to analyse whether the model is structurally identifiable or otherwise. Another well-used modelling framework, which is particularly useful when the experimental data are sparsely sampled and the population variance is of interest, is mixed-effects modelling. However, established identifiability analysis techniques for ordinary differential equations are not directly applicable to such models. In this paper, we present and apply three different methods that can be used to study structural identifiability in mixed-effects models. The first method, called the repeated measurement approach, is based on applying a set of previously established statistical theorems. The second method, called the augmented system approach, is based on augmenting the mixed-effects model to an extended state-space form. The third method, called the Laplace transform mixed-effects extension, is based on considering the moment invariants of the systems transfer function as functions of random variables. To illustrate, compare and contrast the application of the three methods, they are applied to a set of mixed-effects models. Three structural identifiability analysis methods applicable to mixed-effects models have been presented in this paper. As method development of structural identifiability techniques for mixed-effects models has been given very little attention, despite mixed-effects models being widely used, the methods presented in this paper provides a way of handling structural identifiability in mixed-effects models previously not

Icosahedral symmetry described by an incommensurately modulated crystal structure model

DEFF Research Database (Denmark)

Wolny, Janusz; Lebech, Bente

1986-01-01

A crystal structure model of an incommensurately modulated structure is presented. Although six different reciprocal vectors are used to describe the model, all calculations are done in three dimensions making calculation of the real-space structure trivial. Using this model, it is shown that both...... the positions of the bragg reflections and information about the relative intensities of these reflections are in full accordance with the diffraction patterns reported for microcrystals of the rapidly quenched Al86Mn14 alloy. It is also shown that at least the local structure possesses full icosahedral...

Geological-structural models used in SR 97. Uncertainty analysis

Energy Technology Data Exchange (ETDEWEB)

Saksa, P.; Nummela, J. [FINTACT Oy (Finland)

1998-10-01

The uncertainty of geological-structural models was studied for the three sites in SR 97, called Aberg, Beberg and Ceberg. The evaluation covered both regional and site scale models, the emphasis being placed on fracture zones in the site scale. Uncertainty is a natural feature of all geoscientific investigations. It originates from measurements (errors in data, sampling limitations, scale variation) and conceptualisation (structural geometries and properties, ambiguous geometric or parametric solutions) to name the major ones. The structures of A-, B- and Ceberg are fracture zones of varying types. No major differences in the conceptualisation between the sites were noted. One source of uncertainty in the site models is the non-existence of fracture and zone information in the scale from 10 to 300 - 1000 m. At Aberg the development of the regional model has been performed very thoroughly. At the site scale one major source of uncertainty is that a clear definition of the target area is missing. Structures encountered in the boreholes are well explained and an interdisciplinary approach in interpretation have taken place. Beberg and Ceberg regional models contain relatively large uncertainties due to the investigation methodology and experience available at that time. In site scale six additional structures were proposed both to Beberg and Ceberg to variant analysis of these sites. Both sites include uncertainty in the form of many non-interpreted fractured sections along the boreholes. Statistical analysis gives high occurrences of structures for all three sites: typically 20 - 30 structures/km{sup 3}. Aberg has highest structural frequency, Beberg comes next and Ceberg has the lowest. The borehole configuration, orientations and surveying goals were inspected to find whether preferences or factors causing bias were present. Data from Aberg supports the conclusion that Aespoe sub volume would be an anomalously fractured, tectonised unit of its own. This means that

Geological-structural models used in SR 97. Uncertainty analysis

International Nuclear Information System (INIS)

Saksa, P.; Nummela, J.

1998-10-01

The uncertainty of geological-structural models was studied for the three sites in SR 97, called Aberg, Beberg and Ceberg. The evaluation covered both regional and site scale models, the emphasis being placed on fracture zones in the site scale. Uncertainty is a natural feature of all geoscientific investigations. It originates from measurements (errors in data, sampling limitations, scale variation) and conceptualisation (structural geometries and properties, ambiguous geometric or parametric solutions) to name the major ones. The structures of A-, B- and Ceberg are fracture zones of varying types. No major differences in the conceptualisation between the sites were noted. One source of uncertainty in the site models is the non-existence of fracture and zone information in the scale from 10 to 300 - 1000 m. At Aberg the development of the regional model has been performed very thoroughly. At the site scale one major source of uncertainty is that a clear definition of the target area is missing. Structures encountered in the boreholes are well explained and an interdisciplinary approach in interpretation have taken place. Beberg and Ceberg regional models contain relatively large uncertainties due to the investigation methodology and experience available at that time. In site scale six additional structures were proposed both to Beberg and Ceberg to variant analysis of these sites. Both sites include uncertainty in the form of many non-interpreted fractured sections along the boreholes. Statistical analysis gives high occurrences of structures for all three sites: typically 20 - 30 structures/km 3 . Aberg has highest structural frequency, Beberg comes next and Ceberg has the lowest. The borehole configuration, orientations and surveying goals were inspected to find whether preferences or factors causing bias were present. Data from Aberg supports the conclusion that Aespoe sub volume would be an anomalously fractured, tectonised unit of its own. This means that the

Track structure model of cell damage in space flight

Science.gov (United States)

Katz, Robert; Cucinotta, Francis A.; Wilson, John W.; Shinn, Judy L.; Ngo, Duc M.

1992-01-01

The phenomenological track-structure model of cell damage is discussed. A description of the application of the track-structure model with the NASA Langley transport code for laboratory and space radiation is given. Comparisons to experimental results for cell survival during exposure to monoenergetic, heavy-ion beams are made. The model is also applied to predict cell damage rates and relative biological effectiveness for deep-space exposures.

Structural Acoustic Physics Based Modeling of Curved Composite Shells

Science.gov (United States)

2017-09-19

NUWC-NPT Technical Report 12,236 19 September 2017 Structural Acoustic Physics -Based Modeling of Curved Composite Shells Rachel E. Hesse...SUBTITLE Structural Acoustic Physics -Based Modeling of Curved Composite Shells 5a. CONTRACT NUMBER 5b. GRANT NUMBER 5c. PROGRAM ELEMENT...study was to use physics -based modeling (PBM) to investigate wave propagations through curved shells that are subjected to acoustic excitation. An

Conservation of concrete structures according to fib Model Code 2010

NARCIS (Netherlands)

Matthews, S.; Bigaj-Van Vliet, A.; Ueda, T.

2013-01-01

Conservation of concrete structures forms an essential part of the fib Model Code for Concrete Structures 2010 (fib Model Code 2010). In particular, Chapter 9 of fib Model Code 2010 addresses issues concerning conservation strategies and tactics, conservation management, condition surveys, condition

CONFOLD2: improved contact-driven ab initio protein structure modeling.

Science.gov (United States)

Adhikari, Badri; Cheng, Jianlin

2018-01-25

Contact-guided protein structure prediction methods are becoming more and more successful because of the latest advances in residue-residue contact prediction. To support contact-driven structure prediction, effective tools that can quickly build tertiary structural models of good quality from predicted contacts need to be developed. We develop an improved contact-driven protein modelling method, CONFOLD2, and study how it may be effectively used for ab initio protein structure prediction with predicted contacts as input. It builds models using various subsets of input contacts to explore the fold space under the guidance of a soft square energy function, and then clusters the models to obtain the top five models. CONFOLD2 obtains an average reconstruction accuracy of 0.57 TM-score for the 150 proteins in the PSICOV contact prediction dataset. When benchmarked on the CASP11 contacts predicted using CONSIP2 and CASP12 contacts predicted using Raptor-X, CONFOLD2 achieves a mean TM-score of 0.41 on both datasets. CONFOLD2 allows to quickly generate top five structural models for a protein sequence when its secondary structures and contacts predictions at hand. The source code of CONFOLD2 is publicly available at https://github.com/multicom-toolbox/CONFOLD2/ .

Structural model of dodecameric heat-shock protein Hsp21

DEFF Research Database (Denmark)

Rutsdottir, Gudrun; Härmark, Johan; Weide, Yoran

2017-01-01

for investigating structure-function relationships of Hsp21 and understanding these sequence variations, we developed a structural model of Hsp21 based on homology modeling, cryo-EM, cross-linking mass spectrometry, NMR, and small-angle X-ray scattering. Our data suggest a dodecameric arrangement of two trimer...

Correlation Structures of Correlated Binomial Models and Implied Default Distribution

Science.gov (United States)

Mori, Shintaro; Kitsukawa, Kenji; Hisakado, Masato

2008-11-01

We show how to analyze and interpret the correlation structures, the conditional expectation values and correlation coefficients of exchangeable Bernoulli random variables. We study implied default distributions for the iTraxx-CJ tranches and some popular probabilistic models, including the Gaussian copula model, Beta binomial distribution model and long-range Ising model. We interpret the differences in their profiles in terms of the correlation structures. The implied default distribution has singular correlation structures, reflecting the credit market implications. We point out two possible origins of the singular behavior.

Bourbaki's structure theory in the problem of complex systems simulation models synthesis and model-oriented programming

Science.gov (United States)

Brodsky, Yu. I.

2015-01-01

The work is devoted to the application of Bourbaki's structure theory to substantiate the synthesis of simulation models of complex multicomponent systems, where every component may be a complex system itself. An application of the Bourbaki's structure theory offers a new approach to the design and computer implementation of simulation models of complex multicomponent systems—model synthesis and model-oriented programming. It differs from the traditional object-oriented approach. The central concept of this new approach and at the same time, the basic building block for the construction of more complex structures is the concept of models-components. A model-component endowed with a more complicated structure than, for example, the object in the object-oriented analysis. This structure provides to the model-component an independent behavior-the ability of standard responds to standard requests of its internal and external environment. At the same time, the computer implementation of model-component's behavior is invariant under the integration of models-components into complexes. This fact allows one firstly to construct fractal models of any complexity, and secondly to implement a computational process of such constructions uniformly-by a single universal program. In addition, the proposed paradigm allows one to exclude imperative programming and to generate computer code with a high degree of parallelism.

Accurate SHAPE-directed RNA secondary structure modeling, including pseudoknots.

Science.gov (United States)

Hajdin, Christine E; Bellaousov, Stanislav; Huggins, Wayne; Leonard, Christopher W; Mathews, David H; Weeks, Kevin M

2013-04-02

A pseudoknot forms in an RNA when nucleotides in a loop pair with a region outside the helices that close the loop. Pseudoknots occur relatively rarely in RNA but are highly overrepresented in functionally critical motifs in large catalytic RNAs, in riboswitches, and in regulatory elements of viruses. Pseudoknots are usually excluded from RNA structure prediction algorithms. When included, these pairings are difficult to model accurately, especially in large RNAs, because allowing this structure dramatically increases the number of possible incorrect folds and because it is difficult to search the fold space for an optimal structure. We have developed a concise secondary structure modeling approach that combines SHAPE (selective 2'-hydroxyl acylation analyzed by primer extension) experimental chemical probing information and a simple, but robust, energy model for the entropic cost of single pseudoknot formation. Structures are predicted with iterative refinement, using a dynamic programming algorithm. This melded experimental and thermodynamic energy function predicted the secondary structures and the pseudoknots for a set of 21 challenging RNAs of known structure ranging in size from 34 to 530 nt. On average, 93% of known base pairs were predicted, and all pseudoknots in well-folded RNAs were identified.

A resource for benchmarking the usefulness of protein structure models.

Science.gov (United States)

Carbajo, Daniel; Tramontano, Anna

2012-08-02

Increasingly, biologists and biochemists use computational tools to design experiments to probe the function of proteins and/or to engineer them for a variety of different purposes. The most effective strategies rely on the knowledge of the three-dimensional structure of the protein of interest. However it is often the case that an experimental structure is not available and that models of different quality are used instead. On the other hand, the relationship between the quality of a model and its appropriate use is not easy to derive in general, and so far it has been analyzed in detail only for specific application. This paper describes a database and related software tools that allow testing of a given structure based method on models of a protein representing different levels of accuracy. The comparison of the results of a computational experiment on the experimental structure and on a set of its decoy models will allow developers and users to assess which is the specific threshold of accuracy required to perform the task effectively. The ModelDB server automatically builds decoy models of different accuracy for a given protein of known structure and provides a set of useful tools for their analysis. Pre-computed data for a non-redundant set of deposited protein structures are available for analysis and download in the ModelDB database. IMPLEMENTATION, AVAILABILITY AND REQUIREMENTS: Project name: A resource for benchmarking the usefulness of protein structure models. Project home page: http://bl210.caspur.it/MODEL-DB/MODEL-DB_web/MODindex.php.Operating system(s): Platform independent. Programming language: Perl-BioPerl (program); mySQL, Perl DBI and DBD modules (database); php, JavaScript, Jmol scripting (web server). Other requirements: Java Runtime Environment v1.4 or later, Perl, BioPerl, CPAN modules, HHsearch, Modeller, LGA, NCBI Blast package, DSSP, Speedfill (Surfnet) and PSAIA. License: Free. Any restrictions to use by non-academics: No.

A resource for benchmarking the usefulness of protein structure models

Directory of Open Access Journals (Sweden)

Carbajo Daniel

2012-08-01

Full Text Available Abstract Background Increasingly, biologists and biochemists use computational tools to design experiments to probe the function of proteins and/or to engineer them for a variety of different purposes. The most effective strategies rely on the knowledge of the three-dimensional structure of the protein of interest. However it is often the case that an experimental structure is not available and that models of different quality are used instead. On the other hand, the relationship between the quality of a model and its appropriate use is not easy to derive in general, and so far it has been analyzed in detail only for specific application. Results This paper describes a database and related software tools that allow testing of a given structure based method on models of a protein representing different levels of accuracy. The comparison of the results of a computational experiment on the experimental structure and on a set of its decoy models will allow developers and users to assess which is the specific threshold of accuracy required to perform the task effectively. Conclusions The ModelDB server automatically builds decoy models of different accuracy for a given protein of known structure and provides a set of useful tools for their analysis. Pre-computed data for a non-redundant set of deposited protein structures are available for analysis and download in the ModelDB database. Implementation, availability and requirements Project name: A resource for benchmarking the usefulness of protein structure models. Project home page: http://bl210.caspur.it/MODEL-DB/MODEL-DB_web/MODindex.php. Operating system(s: Platform independent. Programming language: Perl-BioPerl (program; mySQL, Perl DBI and DBD modules (database; php, JavaScript, Jmol scripting (web server. Other requirements: Java Runtime Environment v1.4 or later, Perl, BioPerl, CPAN modules, HHsearch, Modeller, LGA, NCBI Blast package, DSSP, Speedfill (Surfnet and PSAIA. License: Free. Any

A resource for benchmarking the usefulness of protein structure models.

KAUST Repository

Carbajo, Daniel

2012-08-02

BACKGROUND: Increasingly, biologists and biochemists use computational tools to design experiments to probe the function of proteins and/or to engineer them for a variety of different purposes. The most effective strategies rely on the knowledge of the three-dimensional structure of the protein of interest. However it is often the case that an experimental structure is not available and that models of different quality are used instead. On the other hand, the relationship between the quality of a model and its appropriate use is not easy to derive in general, and so far it has been analyzed in detail only for specific application. RESULTS: This paper describes a database and related software tools that allow testing of a given structure based method on models of a protein representing different levels of accuracy. The comparison of the results of a computational experiment on the experimental structure and on a set of its decoy models will allow developers and users to assess which is the specific threshold of accuracy required to perform the task effectively. CONCLUSIONS: The ModelDB server automatically builds decoy models of different accuracy for a given protein of known structure and provides a set of useful tools for their analysis. Pre-computed data for a non-redundant set of deposited protein structures are available for analysis and download in the ModelDB database. IMPLEMENTATION, AVAILABILITY AND REQUIREMENTS: Project name: A resource for benchmarking the usefulness of protein structure models. Project home page: http://bl210.caspur.it/MODEL-DB/MODEL-DB_web/MODindex.php.Operating system(s): Platform independent. Programming language: Perl-BioPerl (program); mySQL, Perl DBI and DBD modules (database); php, JavaScript, Jmol scripting (web server). Other requirements: Java Runtime Environment v1.4 or later, Perl, BioPerl, CPAN modules, HHsearch, Modeller, LGA, NCBI Blast package, DSSP, Speedfill (Surfnet) and PSAIA. License: Free. Any restrictions to use by

A resource for benchmarking the usefulness of protein structure models.

KAUST Repository

Carbajo, Daniel; Tramontano, Anna

2012-01-01

BACKGROUND: Increasingly, biologists and biochemists use computational tools to design experiments to probe the function of proteins and/or to engineer them for a variety of different purposes. The most effective strategies rely on the knowledge of the three-dimensional structure of the protein of interest. However it is often the case that an experimental structure is not available and that models of different quality are used instead. On the other hand, the relationship between the quality of a model and its appropriate use is not easy to derive in general, and so far it has been analyzed in detail only for specific application. RESULTS: This paper describes a database and related software tools that allow testing of a given structure based method on models of a protein representing different levels of accuracy. The comparison of the results of a computational experiment on the experimental structure and on a set of its decoy models will allow developers and users to assess which is the specific threshold of accuracy required to perform the task effectively. CONCLUSIONS: The ModelDB server automatically builds decoy models of different accuracy for a given protein of known structure and provides a set of useful tools for their analysis. Pre-computed data for a non-redundant set of deposited protein structures are available for analysis and download in the ModelDB database. IMPLEMENTATION, AVAILABILITY AND REQUIREMENTS: Project name: A resource for benchmarking the usefulness of protein structure models. Project home page: http://bl210.caspur.it/MODEL-DB/MODEL-DB_web/MODindex.php.Operating system(s): Platform independent. Programming language: Perl-BioPerl (program); mySQL, Perl DBI and DBD modules (database); php, JavaScript, Jmol scripting (web server). Other requirements: Java Runtime Environment v1.4 or later, Perl, BioPerl, CPAN modules, HHsearch, Modeller, LGA, NCBI Blast package, DSSP, Speedfill (Surfnet) and PSAIA. License: Free. Any restrictions to use by

PSpice Model of Lightning Strike to a Steel Reinforced Structure

International Nuclear Information System (INIS)

Koone, Neil; Condren, Brian

2003-01-01

Surges and arcs from lightning can pose hazards to personnel and sensitive equipment, and processes. Steel reinforcement in structures can act as a Faraday cage mitigating lightning effects. Knowing a structure's response to a lightning strike allows hazards associated with lightning to be analyzed. A model of lightning's response in a steel reinforced structure has been developed using PSpice (a commercial circuit simulation). Segments of rebar are modeled as inductors and resistors in series. A program has been written to take architectural information of a steel reinforced structure and 'build' a circuit network that is analogous to the network of reinforcement in a facility. A severe current waveform (simulating a 99th percentile lightning strike), modeled as a current source, is introduced in the circuit network, and potential differences within the structure are determined using PSpice. A visual three-dimensional model of the facility displays the voltage distribution across the structure using color to indicate the potential difference relative to the floor. Clear air arcing distances can be calculated from the voltage distribution using a conservative value for the dielectric breakdown strength of air. Potential validation tests for the model will be presented

Structural characterization and viscoelastic constitutive modeling of skin.

Science.gov (United States)

Sherman, Vincent R; Tang, Yizhe; Zhao, Shiteng; Yang, Wen; Meyers, Marc A

2017-04-15

A fascinating material, skin has a tensile response which exhibits an extended toe region of minimal stress up to nominal strains that, in some species, exceed 1, followed by significant stiffening until a roughly linear region. The large toe region has been attributed to its unique structure, consisting of a network of curved collagen fibers. Investigation of the structure of rabbit skin reveals that it consists of layers of wavy fibers, each one with a characteristic orientation. Additionally, the existence of two preferred layer orientations is suggested based on the results of small angle X-ray scattering. These observations are used to construct a viscoelastic model consisting of collagen in two orientations, which leads to an in-plane anisotropic response. The structure-based model presented incorporates the elastic straightening and stretching of fibrils, their rotation towards the tensile axis, and the viscous effects which occur in the matrix of the skin due to interfibrillar and interlamellar sliding. The model is shown to effectively capture key features which dictate the mechanical response of skin. Examination by transmission and scanning electron microscopy of rabbit dermis enabled the identification of the key elements in its structure. The organization of collagen fibrils into flat fibers was identified and incorporated into a constitutive model that reproduces the mechanical response of skin. This enhanced quantitative predictive capability can be used in the design of synthetic skin and skin-like structures. Copyright © 2017 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

Numerical model updating technique for structures using firefly algorithm

Science.gov (United States)

Sai Kubair, K.; Mohan, S. C.

2018-03-01

Numerical model updating is a technique used for updating the existing experimental models for any structures related to civil, mechanical, automobiles, marine, aerospace engineering, etc. The basic concept behind this technique is updating the numerical models to closely match with experimental data obtained from real or prototype test structures. The present work involves the development of numerical model using MATLAB as a computational tool and with mathematical equations that define the experimental model. Firefly algorithm is used as an optimization tool in this study. In this updating process a response parameter of the structure has to be chosen, which helps to correlate the numerical model developed with the experimental results obtained. The variables for the updating can be either material or geometrical properties of the model or both. In this study, to verify the proposed technique, a cantilever beam is analyzed for its tip deflection and a space frame has been analyzed for its natural frequencies. Both the models are updated with their respective response values obtained from experimental results. The numerical results after updating show that there is a close relationship that can be brought between the experimental and the numerical models.

Conformational sampling in template-free protein loop structure modeling: an overview.

Science.gov (United States)

Li, Yaohang

2013-01-01

Accurately modeling protein loops is an important step to predict three-dimensional structures as well as to understand functions of many proteins. Because of their high flexibility, modeling the three-dimensional structures of loops is difficult and is usually treated as a "mini protein folding problem" under geometric constraints. In the past decade, there has been remarkable progress in template-free loop structure modeling due to advances of computational methods as well as stably increasing number of known structures available in PDB. This mini review provides an overview on the recent computational approaches for loop structure modeling. In particular, we focus on the approaches of sampling loop conformation space, which is a critical step to obtain high resolution models in template-free methods. We review the potential energy functions for loop modeling, loop buildup mechanisms to satisfy geometric constraints, and loop conformation sampling algorithms. The recent loop modeling results are also summarized.

CONFORMATIONAL SAMPLING IN TEMPLATE-FREE PROTEIN LOOP STRUCTURE MODELING: AN OVERVIEW

Directory of Open Access Journals (Sweden)

Yaohang Li

2013-02-01

Full Text Available Accurately modeling protein loops is an important step to predict three-dimensional structures as well as to understand functions of many proteins. Because of their high flexibility, modeling the three-dimensional structures of loops is difficult and is usually treated as a “mini protein folding problem” under geometric constraints. In the past decade, there has been remarkable progress in template-free loop structure modeling due to advances of computational methods as well as stably increasing number of known structures available in PDB. This mini review provides an overview on the recent computational approaches for loop structure modeling. In particular, we focus on the approaches of sampling loop conformation space, which is a critical step to obtain high resolution models in template-free methods. We review the potential energy functions for loop modeling, loop buildup mechanisms to satisfy geometric constraints, and loop conformation sampling algorithms. The recent loop modeling results are also summarized.

Galactic models with variable spiral structure

International Nuclear Information System (INIS)

James, R.A.; Sellwood, J.A.

1978-01-01

A series of three-dimensional computer simulations of disc galaxies has been run in which the self-consistent potential of the disc stars is supplemented by that arising from a small uniform Population II sphere. The models show variable spiral structure, which is more pronounced for thin discs. In addition, the thin discs form weak bars. In one case variable spiral structure associated with this bar has been seen. The relaxed discs are cool outside resonance regions. (author)

PROBLEMS OF MATHEMATICAL MODELING OF THE ENTERPRISES ORGANIZATIONAL STRUCTURE

Directory of Open Access Journals (Sweden)

N. V. Andrianov

2006-01-01

Full Text Available The analysis of the mathematical models which can be used at optimization of the control system of the enterprise organizational structure is presented. The new approach to the mathematical modeling of the enterprise organizational structure, based on using of temporary characteristics of the control blocks working, is formulated

A micromagnetic study of domain structure modeling

International Nuclear Information System (INIS)

Matsuo, Tetsuji; Mimuro, Naoki; Shimasaki, Masaaki

2008-01-01

To develop a mesoscopic model for magnetic-domain behavior, a domain structure model (DSM) was examined and compared with a micromagnetic simulation. The domain structure of this model is given by several domains with uniform magnetization vectors and domain walls. The directions of magnetization vectors and the locations of domain walls are determined so as to minimize the magnetic total energy of the magnetic material. The DSM was modified to improve its representation capability for domain behavior. The domain wall energy is multiplied by a vanishing factor to represent the disappearance of magnetic domain. The sequential quadratic programming procedure is divided into two steps to improve an energy minimization process. A comparison with micromagnetic simulation shows that the modified DSM improves the representation accuracy of the magnetization process

Modeling the Structure and Complexity of Engineering Routine Design Problems

NARCIS (Netherlands)

Jauregui Becker, Juan Manuel; Wits, Wessel Willems; van Houten, Frederikus J.A.M.

2011-01-01

This paper proposes a model to structure routine design problems as well as a model of its design complexity. The idea is that having a proper model of the structure of such problems enables understanding its complexity, and likewise, a proper understanding of its complexity enables the development

Combining a popularity-productivity stochastic block model with a discriminative-content model for general structure detection.

Science.gov (United States)

Chai, Bian-fang; Yu, Jian; Jia, Cai-Yan; Yang, Tian-bao; Jiang, Ya-wen

2013-07-01

Latent community discovery that combines links and contents of a text-associated network has drawn more attention with the advance of social media. Most of the previous studies aim at detecting densely connected communities and are not able to identify general structures, e.g., bipartite structure. Several variants based on the stochastic block model are more flexible for exploring general structures by introducing link probabilities between communities. However, these variants cannot identify the degree distributions of real networks due to a lack of modeling of the differences among nodes, and they are not suitable for discovering communities in text-associated networks because they ignore the contents of nodes. In this paper, we propose a popularity-productivity stochastic block (PPSB) model by introducing two random variables, popularity and productivity, to model the differences among nodes in receiving links and producing links, respectively. This model has the flexibility of existing stochastic block models in discovering general community structures and inherits the richness of previous models that also exploit popularity and productivity in modeling the real scale-free networks with power law degree distributions. To incorporate the contents in text-associated networks, we propose a combined model which combines the PPSB model with a discriminative model that models the community memberships of nodes by their contents. We then develop expectation-maximization (EM) algorithms to infer the parameters in the two models. Experiments on synthetic and real networks have demonstrated that the proposed models can yield better performances than previous models, especially on networks with general structures.

Travelling Wave Solutions in Multigroup Age-Structured Epidemic Models

Science.gov (United States)

Ducrot, Arnaut; Magal, Pierre; Ruan, Shigui

2010-01-01

Age-structured epidemic models have been used to describe either the age of individuals or the age of infection of certain diseases and to determine how these characteristics affect the outcomes and consequences of epidemiological processes. Most results on age-structured epidemic models focus on the existence, uniqueness, and convergence to disease equilibria of solutions. In this paper we investigate the existence of travelling wave solutions in a deterministic age-structured model describing the circulation of a disease within a population of multigroups. Individuals of each group are able to move with a random walk which is modelled by the classical Fickian diffusion and are classified into two subclasses, susceptible and infective. A susceptible individual in a given group can be crisscross infected by direct contact with infective individuals of possibly any group. This process of transmission can depend upon the age of the disease of infected individuals. The goal of this paper is to provide sufficient conditions that ensure the existence of travelling wave solutions for the age-structured epidemic model. The case of two population groups is numerically investigated which applies to the crisscross transmission of feline immunodeficiency virus (FIV) and some sexual transmission diseases.

New porphyrin-polyoxometalate hybrid materials: synthesis, characterization and investigation of catalytic activity in acetylation reactions.

Science.gov (United States)

Araghi, Mehdi; Mirkhani, Valiollah; Moghadam, Majid; Tangestaninejad, Shahram; Mohammdpoor-Baltork, Iraj

2012-10-14

New hybrid complexes based on covalent interaction between 5,10,15,20-tetrakis(4-aminophenyl)porphyrinatozinc(II) and 5,10,15,20-tetrakis(4-aminophenyl)porphyrinatotin(IV) chloride, and a Lindqvist-type polyoxometalate, Mo(6)O(19)(2-), were prepared. These new porphyrin-polyoxometalate hybrid materials were characterized by (1)H NMR, FT IR and UV-Vis spectroscopic methods and cyclic voltammetry. These spectro- and electrochemical studies provided several spectral data for synthesis of these compounds. Cyclic voltammetry showed the influence of the polyoxometalate on the redox process of the porphyrin ring. The catalytic activity of tin(IV)porphyrin-hexamolybdate hybrid material was investigated in the acetylation of alcohols and phenols with acetic anhydride. The reusability of this catalyst was also investigated.

Empirical Analysis of Farm Credit Risk under the Structure Model

Science.gov (United States)

Yan, Yan

2009-01-01

The study measures farm credit risk by using farm records collected by Farm Business Farm Management (FBFM) during the period 1995-2004. The study addresses the following questions: (1) whether farm's financial position is fully described by the structure model, (2) what are the determinants of farm capital structure under the structure model, (3)…

Modelling the structure of complex networks

DEFF Research Database (Denmark)

Herlau, Tue

networks has been independently studied as mathematical objects in their own right. As such, there has been both an increased demand for statistical methods for complex networks as well as a quickly growing mathematical literature on the subject. In this dissertation we explore aspects of modelling complex....... The next chapters will treat some of the various symmetries, representer theorems and probabilistic structures often deployed in the modelling complex networks, the construction of sampling methods and various network models. The introductory chapters will serve to provide context for the included written...

Modeling accelerator structures and RF components

International Nuclear Information System (INIS)

Ko, K., Ng, C.K.; Herrmannsfeldt, W.B.

1993-03-01

Computer modeling has become an integral part of the design and analysis of accelerator structures RF components. Sophisticated 3D codes, powerful workstations and timely theory support all contributed to this development. We will describe our modeling experience with these resources and discuss their impact on ongoing work at SLAC. Specific examples from R ampersand D on a future linear collide and a proposed e + e - storage ring will be included

Fast loop modeling for protein structures

Science.gov (United States)

Zhang, Jiong; Nguyen, Son; Shang, Yi; Xu, Dong; Kosztin, Ioan

2015-03-01

X-ray crystallography is the main method for determining 3D protein structures. In many cases, however, flexible loop regions of proteins cannot be resolved by this approach. This leads to incomplete structures in the protein data bank, preventing further computational study and analysis of these proteins. For instance, all-atom molecular dynamics (MD) simulation studies of structure-function relationship require complete protein structures. To address this shortcoming, we have developed and implemented an efficient computational method for building missing protein loops. The method is database driven and uses deep learning and multi-dimensional scaling algorithms. We have implemented the method as a simple stand-alone program, which can also be used as a plugin in existing molecular modeling software, e.g., VMD. The quality and stability of the generated structures are assessed and tested via energy scoring functions and by equilibrium MD simulations. The proposed method can also be used in template-based protein structure prediction. Work supported by the National Institutes of Health [R01 GM100701]. Computer time was provided by the University of Missouri Bioinformatics Consortium.

Uncertain and multi-objective programming models for crop planting structure optimization

Directory of Open Access Journals (Sweden)

Mo LI,Ping GUO,Liudong ZHANG,Chenglong ZHANG

2016-03-01

Full Text Available Crop planting structure optimization is a significant way to increase agricultural economic benefits and improve agricultural water management. The complexities of fluctuating stream conditions, varying economic profits, and uncertainties and errors in estimated modeling parameters, as well as the complexities among economic, social, natural resources and environmental aspects, have led to the necessity of developing optimization models for crop planting structure which consider uncertainty and multi-objectives elements. In this study, three single-objective programming models under uncertainty for crop planting structure optimization were developed, including an interval linear programming model, an inexact fuzzy chance-constrained programming (IFCCP model and an inexact fuzzy linear programming (IFLP model. Each of the three models takes grayness into account. Moreover, the IFCCP model considers fuzzy uncertainty of parameters/variables and stochastic characteristics of constraints, while the IFLP model takes into account the fuzzy uncertainty of both constraints and objective functions. To satisfy the sustainable development of crop planting structure planning, a fuzzy-optimization-theory-based fuzzy linear multi-objective programming model was developed, which is capable of reflecting both uncertainties and multi-objective. In addition, a multi-objective fractional programming model for crop structure optimization was also developed to quantitatively express the multi-objective in one optimization model with the numerator representing maximum economic benefits and the denominator representing minimum crop planting area allocation. These models better reflect actual situations, considering the uncertainties and multi-objectives of crop planting structure optimization systems. The five models developed were then applied to a real case study in Minqin County, north-west China. The advantages, the applicable conditions and the solution methods

Structural modelling of economic growth: Technological changes

Directory of Open Access Journals (Sweden)

Sukharev Oleg

2016-01-01

Full Text Available Neoclassical and Keynesian theories of economic growth assume the use of Cobb-Douglas modified functions and other aggregate econometric approaches to growth dynamics modelling. In that case explanations of economic growth are based on the logic of the used mathematical ratios often including the ideas about aggregated values change and factors change a priori. The idea of assessment of factor productivity is the fundamental one among modern theories of economic growth. Nevertheless, structural parameters of economic system, institutions and technological changes are practically not considered within known approaches, though the latter is reflected in the changing parameters of production function. At the same time, on the one hand, the ratio of structural elements determines the future value of the total productivity of the factors and, on the other hand, strongly influences the rate of economic growth and its mode of innovative dynamics. To put structural parameters of economic system into growth models with the possibility of assessment of such modes under conditions of interaction of new and old combinations is an essential step in the development of the theory of economic growth/development. It allows forming stimulation policy of economic growth proceeding from the structural ratios and relations recognized for this economic system. It is most convenient in such models to use logistic functions demonstrating the resource change for old and new combination within the economic system. The result of economy development depends on starting conditions, and on institutional parameters of velocity change of resource borrowing in favour of a new combination and creation of its own resource. Model registration of the resource is carried out through the idea of investments into new and old combinations.

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...

Uncertainty in parameterisation and model structure affect simulation results in coupled ecohydrological models

Directory of Open Access Journals (Sweden)

S. Arnold

2009-10-01

Full Text Available In this paper we develop and apply a conceptual ecohydrological model to investigate the effects of model structure and parameter uncertainty on the simulation of vegetation structure and hydrological dynamics. The model is applied for a typical water limited riparian ecosystem along an ephemeral river: the middle section of the Kuiseb River in Namibia. We modelled this system by coupling an ecological model with a conceptual hydrological model. The hydrological model is storage based with stochastical forcing from the flood. The ecosystem is modelled with a population model, and represents three dominating riparian plant populations. In appreciation of uncertainty about population dynamics, we applied three model versions with increasing complexity. Population parameters were found by Latin hypercube sampling of the parameter space and with the constraint that three species should coexist as observed. Two of the three models were able to reproduce the observed coexistence. However, both models relied on different coexistence mechanisms, and reacted differently to change of long term memory in the flood forcing. The coexistence requirement strongly constrained the parameter space for both successful models. Only very few parameter sets (0.5% of 150 000 samples allowed for coexistence in a representative number of repeated simulations (at least 10 out of 100 and the success of the coexistence mechanism was controlled by the combination of population parameters. The ensemble statistics of average values of hydrologic variables like transpiration and depth to ground water were similar for both models, suggesting that they were mainly controlled by the applied hydrological model. The ensemble statistics of the fluctuations of depth to groundwater and transpiration, however, differed significantly, suggesting that they were controlled by the applied ecological model and coexistence mechanisms. Our study emphasizes that uncertainty about ecosystem

Robust simulation of buckled structures using reduced order modeling

International Nuclear Information System (INIS)

Wiebe, R.; Perez, R.A.; Spottswood, S.M.

2016-01-01

Lightweight metallic structures are a mainstay in aerospace engineering. For these structures, stability, rather than strength, is often the critical limit state in design. For example, buckling of panels and stiffeners may occur during emergency high-g maneuvers, while in supersonic and hypersonic aircraft, it may be induced by thermal stresses. The longstanding solution to such challenges was to increase the sizing of the structural members, which is counter to the ever present need to minimize weight for reasons of efficiency and performance. In this work we present some recent results in the area of reduced order modeling of post- buckled thin beams. A thorough parametric study of the response of a beam to changing harmonic loading parameters, which is useful in exposing complex phenomena and exercising numerical models, is presented. Two error metrics that use but require no time stepping of a (computationally expensive) truth model are also introduced. The error metrics are applied to several interesting forcing parameter cases identified from the parametric study and are shown to yield useful information about the quality of a candidate reduced order model. Parametric studies, especially when considering forcing and structural geometry parameters, coupled environments, and uncertainties would be computationally intractable with finite element models. The goal is to make rapid simulation of complex nonlinear dynamic behavior possible for distributed systems via fast and accurate reduced order models. This ability is crucial in allowing designers to rigorously probe the robustness of their designs to account for variations in loading, structural imperfections, and other uncertainties. (paper)

Robust simulation of buckled structures using reduced order modeling

Science.gov (United States)

Wiebe, R.; Perez, R. A.; Spottswood, S. M.

2016-09-01

Lightweight metallic structures are a mainstay in aerospace engineering. For these structures, stability, rather than strength, is often the critical limit state in design. For example, buckling of panels and stiffeners may occur during emergency high-g maneuvers, while in supersonic and hypersonic aircraft, it may be induced by thermal stresses. The longstanding solution to such challenges was to increase the sizing of the structural members, which is counter to the ever present need to minimize weight for reasons of efficiency and performance. In this work we present some recent results in the area of reduced order modeling of post- buckled thin beams. A thorough parametric study of the response of a beam to changing harmonic loading parameters, which is useful in exposing complex phenomena and exercising numerical models, is presented. Two error metrics that use but require no time stepping of a (computationally expensive) truth model are also introduced. The error metrics are applied to several interesting forcing parameter cases identified from the parametric study and are shown to yield useful information about the quality of a candidate reduced order model. Parametric studies, especially when considering forcing and structural geometry parameters, coupled environments, and uncertainties would be computationally intractable with finite element models. The goal is to make rapid simulation of complex nonlinear dynamic behavior possible for distributed systems via fast and accurate reduced order models. This ability is crucial in allowing designers to rigorously probe the robustness of their designs to account for variations in loading, structural imperfections, and other uncertainties.

Challenges in modelling the random structure correctly in growth mixture models and the impact this has on model mixtures.

Science.gov (United States)

Gilthorpe, M S; Dahly, D L; Tu, Y K; Kubzansky, L D; Goodman, E

2014-06-01

Lifecourse trajectories of clinical or anthropological attributes are useful for identifying how our early-life experiences influence later-life morbidity and mortality. Researchers often use growth mixture models (GMMs) to estimate such phenomena. It is common to place constrains on the random part of the GMM to improve parsimony or to aid convergence, but this can lead to an autoregressive structure that distorts the nature of the mixtures and subsequent model interpretation. This is especially true if changes in the outcome within individuals are gradual compared with the magnitude of differences between individuals. This is not widely appreciated, nor is its impact well understood. Using repeat measures of body mass index (BMI) for 1528 US adolescents, we estimated GMMs that required variance-covariance constraints to attain convergence. We contrasted constrained models with and without an autocorrelation structure to assess the impact this had on the ideal number of latent classes, their size and composition. We also contrasted model options using simulations. When the GMM variance-covariance structure was constrained, a within-class autocorrelation structure emerged. When not modelled explicitly, this led to poorer model fit and models that differed substantially in the ideal number of latent classes, as well as class size and composition. Failure to carefully consider the random structure of data within a GMM framework may lead to erroneous model inferences, especially for outcomes with greater within-person than between-person homogeneity, such as BMI. It is crucial to reflect on the underlying data generation processes when building such models.

NUMERICAL MODELLING AS NON-DESTRUCTIVE METHOD FOR THE ANALYSES AND DIAGNOSIS OF STONE STRUCTURES: MODELS AND POSSIBILITIES

Directory of Open Access Journals (Sweden)

Nataša Štambuk-Cvitanović

1999-12-01

Full Text Available Assuming the necessity of analysis, diagnosis and preservation of existing valuable stone masonry structures and ancient monuments in today European urban cores, numerical modelling become an efficient tool for the structural behaviour investigation. It should be supported by experimentally found input data and taken as a part of general combined approach, particularly non-destructive techniques on the structure/model within it. For the structures or their detail which may require more complex analyses three numerical models based upon finite elements technique are suggested: (1 standard linear model; (2 linear model with contact (interface elements; and (3 non-linear elasto-plastic and orthotropic model. The applicability of these models depend upon the accuracy of the approach or type of the problem, and will be presented on some characteristic samples.

Soil-structure interaction analysis of HTTR building by a simplified model

International Nuclear Information System (INIS)

Yagishita, F.; Suzuki, H.; Yamagishi, Y.

1990-01-01

For the evaluation of the design seismic forces of the embedded High-Temperature-Testing-Reactor (HTTR) structure, a sway-rocking model considering the embedment of the structure is used. As for the composition of this model; the structure is modeled into beams with lumped masses, and the soil into the horizontal side springs and the horizontal and rotational bottom springs. At the same time, the input motion to the structure which has the form of multiple excitation is calculated based on one dimensional wave propagation theory. This paper presents the concept of this modelling and evaluated results. (author). 9 refs, 11 figs

Modeling repetitive motions using structured light.

Science.gov (United States)

Xu, Yi; Aliaga, Daniel G

2010-01-01

Obtaining models of dynamic 3D objects is an important part of content generation for computer graphics. Numerous methods have been extended from static scenarios to model dynamic scenes. If the states or poses of the dynamic object repeat often during a sequence (but not necessarily periodically), we call such a repetitive motion. There are many objects, such as toys, machines, and humans, undergoing repetitive motions. Our key observation is that when a motion-state repeats, we can sample the scene under the same motion state again but using a different set of parameters; thus, providing more information of each motion state. This enables robustly acquiring dense 3D information difficult for objects with repetitive motions using only simple hardware. After the motion sequence, we group temporally disjoint observations of the same motion state together and produce a smooth space-time reconstruction of the scene. Effectively, the dynamic scene modeling problem is converted to a series of static scene reconstructions, which are easier to tackle. The varying sampling parameters can be, for example, structured-light patterns, illumination directions, and viewpoints resulting in different modeling techniques. Based on this observation, we present an image-based motion-state framework and demonstrate our paradigm using either a synchronized or an unsynchronized structured-light acquisition method.

Coarse-grained description of cosmic structure from Szekeres models

International Nuclear Information System (INIS)

Sussman, Roberto A.; Gaspar, I. Delgado; Hidalgo, Juan Carlos

2016-01-01

We show that the full dynamical freedom of the well known Szekeres models allows for the description of elaborated 3-dimensional networks of cold dark matter structures (over-densities and/or density voids) undergoing ''pancake'' collapse. By reducing Einstein's field equations to a set of evolution equations, which themselves reduce in the linear limit to evolution equations for linear perturbations, we determine the dynamics of such structures, with the spatial comoving location of each structure uniquely specified by standard early Universe initial conditions. By means of a representative example we examine in detail the density contrast, the Hubble flow and peculiar velocities of structures that evolved, from linear initial data at the last scattering surface, to fully non-linear 10–20 Mpc scale configurations today. To motivate further research, we provide a qualitative discussion on the connection of Szekeres models with linear perturbations and the pancake collapse of the Zeldovich approximation. This type of structure modelling provides a coarse grained—but fully relativistic non-linear and non-perturbative —description of evolving large scale cosmic structures before their virialisation, and as such it has an enormous potential for applications in cosmological research

Development of vehicle model test-bending of a simple structural surfaces model for automotive vehicle sedan

Science.gov (United States)

Nor, M. K. Mohd; Noordin, A.; Ruzali, M. F. S.; Hussen, M. H.; Mustapa@Othman, N.

2017-04-01

Simple Structural Surfaces (SSS) method is offered as a means of organizing the process for rationalizing the basic vehicle body structure load paths. The application of this simplified approach is highly beneficial in the development of modern passenger car structure design. In Malaysia, the SSS topic has been widely adopted and seems compulsory in various automotive programs related to automotive vehicle structures in many higher education institutions. However, there is no real physical model of SSS available to gain considerable insight and understanding into the function of each major subassembly in the whole vehicle structures. Based on this motivation, a real physical SSS of sedan model and the corresponding model vehicle tests of bending is proposed in this work. The proposed approach is relatively easy to understand as compared to Finite Element Method (FEM). The results prove that the proposed vehicle model test is useful to physically demonstrate the importance of providing continuous load path using the necessary structural components within the vehicle structures. It is clearly observed that the global bending stiffness reduce significantly when more panels are removed from the complete SSS model. The analysis shows the front parcel shelf is an important subassembly to sustain bending load.

Protein loop modeling using a new hybrid energy function and its application to modeling in inaccurate structural environments.

Directory of Open Access Journals (Sweden)

Hahnbeom Park

Full Text Available Protein loop modeling is a tool for predicting protein local structures of particular interest, providing opportunities for applications involving protein structure prediction and de novo protein design. Until recently, the majority of loop modeling methods have been developed and tested by reconstructing loops in frameworks of experimentally resolved structures. In many practical applications, however, the protein loops to be modeled are located in inaccurate structural environments. These include loops in model structures, low-resolution experimental structures, or experimental structures of different functional forms. Accordingly, discrepancies in the accuracy of the structural environment assumed in development of the method and that in practical applications present additional challenges to modern loop modeling methods. This study demonstrates a new strategy for employing a hybrid energy function combining physics-based and knowledge-based components to help tackle this challenge. The hybrid energy function is designed to combine the strengths of each energy component, simultaneously maintaining accurate loop structure prediction in a high-resolution framework structure and tolerating minor environmental errors in low-resolution structures. A loop modeling method based on global optimization of this new energy function is tested on loop targets situated in different levels of environmental errors, ranging from experimental structures to structures perturbed in backbone as well as side chains and template-based model structures. The new method performs comparably to force field-based approaches in loop reconstruction in crystal structures and better in loop prediction in inaccurate framework structures. This result suggests that higher-accuracy predictions would be possible for a broader range of applications. The web server for this method is available at http://galaxy.seoklab.org/loop with the PS2 option for the scoring function.

Calibrated and Interactive Modelling of Form-Active Hybrid Structures

DEFF Research Database (Denmark)

Quinn, Gregory; Holden Deleuran, Anders; Piker, Daniel

2016-01-01

Form-active hybrid structures (FAHS) couple two or more different structural elements of low self weight and low or negligible bending flexural stiffness (such as slender beams, cables and membranes) into one structural assembly of high global stiffness. They offer high load-bearing capacity...... software packages which introduce interruptions and data exchange issues in the modelling pipeline. The mechanical precision, stability and open software architecture of Kangaroo has facilitated the development of proof-of-concept modelling pipelines which tackle this challenge and enable powerful...... materially-informed sketching. Making use of a projection-based dynamic relaxation solver for structural analysis, explorative design has proven to be highly effective....

De novo structural modeling and computational sequence analysis ...

African Journals Online (AJOL)

Different bioinformatics tools and machine learning techniques were used for protein structural classification. De novo protein modeling was performed by using I-TASSER server. The final model obtained was accessed by PROCHECK and DFIRE2, which confirmed that the final model is reliable. Until complete biochemical ...

Exploring Social Structures in Extended Team Model

DEFF Research Database (Denmark)

Zahedi, Mansooreh; Ali Babar, Muhammad

2013-01-01

Extended Team Model (ETM) as a type of offshore outsourcing is increasingly becoming popular mode of Global Software Development (GSD). There is little knowledge about the social structures in ETM and their impact on collaboration. Within a large interdisciplinary project to develop the next...... generation of GSD technologies, we are exploring the role of social structures to support collaboration. This paper reports some details of our research design and initial findings about the mechanisms to support social structures and their impact on collaboration in an ETM....

Equity financing constraints and corporate capital structure:a model

Institute of Scientific and Technical Information of China (English)

Zhengwei Wang; Wuxiang Zhu

2013-01-01

Purpose-The "supply-side effect" brought about by the imperfection of the capital market has increasingly been concerned.The purpose of this paper is to study how will the uncertainty of equity financing brought about by the equity financing regulations in emerging capital market affect company's capital structure decisions.Design/methodology/approach-This paper establishes a theoretical model and tries to introduce equity financing uncertainty into the company's capital structure decision-making.The paper uses mathematical derivation method to get some basic conclusions.Next,in order to characterize the quantitative impact of specific factor on capital structure,numerical solution methods are used.Findings-The model shows that firm's value would decrease with the uncertainty of equity financing,because of the relationship between firm's future cash and their financing policies.The numerical solution of the model suggests that the uncertainty of equity financing is one of the important factors affecting the choice of optimal capital structure,the greater the uncertainty is,the lower optimal capital structure is.Originality/value-The research of this paper has certain academic value for further understanding of the issues.

Generalized Swept Mid-structure for Polygonal Models

KAUST Repository

Martin, Tobias

2012-05-01

We introduce a novel mid-structure called the generalized swept mid-structure (GSM) of a closed polygonal shape, and a framework to compute it. The GSM contains both curve and surface elements and has consistent sheet-by-sheet topology, versus triangle-by-triangle topology produced by other mid-structure methods. To obtain this structure, a harmonic function, defined on the volume that is enclosed by the surface, is used to decompose the volume into a set of slices. A technique for computing the 1D mid-structures of these slices is introduced. The mid-structures of adjacent slices are then iteratively matched through a boundary similarity computation and triangulated to form the GSM. This structure respects the topology of the input surface model is a hybrid mid-structure representation. The construction and topology of the GSM allows for local and global simplification, used in further applications such as parameterization, volumetric mesh generation and medical applications.

Generalized Swept Mid-structure for Polygonal Models

KAUST Repository

Martin, Tobias; Chen, Guoning; Musuvathy, Suraj; Cohen, Elaine; Hansen, Charles

2012-01-01

We introduce a novel mid-structure called the generalized swept mid-structure (GSM) of a closed polygonal shape, and a framework to compute it. The GSM contains both curve and surface elements and has consistent sheet-by-sheet topology, versus triangle-by-triangle topology produced by other mid-structure methods. To obtain this structure, a harmonic function, defined on the volume that is enclosed by the surface, is used to decompose the volume into a set of slices. A technique for computing the 1D mid-structures of these slices is introduced. The mid-structures of adjacent slices are then iteratively matched through a boundary similarity computation and triangulated to form the GSM. This structure respects the topology of the input surface model is a hybrid mid-structure representation. The construction and topology of the GSM allows for local and global simplification, used in further applications such as parameterization, volumetric mesh generation and medical applications.

Correlation Structures of Correlated Binomial Models and Implied Default Distribution

OpenAIRE

S. Mori; K. Kitsukawa; M. Hisakado

2006-01-01

We show how to analyze and interpret the correlation structures, the conditional expectation values and correlation coefficients of exchangeable Bernoulli random variables. We study implied default distributions for the iTraxx-CJ tranches and some popular probabilistic models, including the Gaussian copula model, Beta binomial distribution model and long-range Ising model. We interpret the differences in their profiles in terms of the correlation structures. The implied default distribution h...

A skeleton model for the MJO with refined vertical structure

Science.gov (United States)

Thual, Sulian; Majda, Andrew J.

2016-05-01

The Madden-Julian oscillation (MJO) is the dominant mode of variability in the tropical atmosphere on intraseasonal timescales and planetary spatial scales. The skeleton model is a minimal dynamical model that recovers robustly the most fundamental MJO features of (I) a slow eastward speed of roughly 5 {ms}^{-1}, (II) a peculiar dispersion relation with dω /dk ≈ 0, and (III) a horizontal quadrupole vortex structure. This model depicts the MJO as a neutrally-stable atmospheric wave that involves a simple multiscale interaction between planetary dry dynamics, planetary lower-tropospheric moisture and the planetary envelope of synoptic-scale activity. Here we propose and analyse an extended version of the skeleton model with additional variables accounting for the refined vertical structure of the MJO in nature. The present model reproduces qualitatively the front-to-rear vertical structure of the MJO found in nature, with MJO events marked by a planetary envelope of convective activity transitioning from the congestus to the deep to the stratiform type, in addition to a front-to-rear structure of moisture, winds and temperature. Despite its increased complexity the present model retains several interesting features of the original skeleton model such as a conserved energy and similar linear solutions. We further analyze a model version with a simple stochastic parametrization for the unresolved details of synoptic-scale activity. The stochastic model solutions show intermittent initiation, propagation and shut down of MJO wave trains, as in previous studies, in addition to MJO events with a front-to-rear vertical structure of varying intensity and characteristics from one event to another.

Robust Comparison of the Linear Model Structures in Self-tuning Adaptive Control

DEFF Research Database (Denmark)

Zhou, Jianjun; Conrad, Finn

1989-01-01

The Generalized Predictive Controller (GPC) is extended to the systems with a generalized linear model structure which contains a number of choices of linear model structures. The Recursive Prediction Error Method (RPEM) is used to estimate the unknown parameters of the linear model structures...... to constitute a GPC self-tuner. Different linear model structures commonly used are compared and evaluated by applying them to the extended GPC self-tuner as well as to the special cases of the GPC, the GMV and MV self-tuners. The simulation results show how the choice of model structure affects the input......-output behaviour of self-tuning controllers....

Model-based active control of a continuous structure subjected to moving loads

Science.gov (United States)

Stancioiu, D.; Ouyang, H.

2016-09-01

Modelling of a structure is an important preliminary step of structural control. The main objectives of the modelling, which are almost always antagonistic are accuracy and simplicity of the model. The first part of this study focuses on the experimental and theoretical modelling of a structure subjected to the action of one or two decelerating moving carriages modelled as masses. The aim of this part is to obtain a simple but accurate model which will include not only the structure-moving load interaction but also the actuators dynamics. A small scale rig is designed to represent a four-span continuous metallic bridge structure with miniature guiding rails. A series of tests are run subjecting the structure to the action of one or two minicarriages with different loads that were launched along the structure at different initial speeds. The second part is dedicated to model based control design where a feedback controller is designed and tested against the validated model. The study shows that a positive position feedback is able to improve system dynamics but also shows some of the limitations of state- space methods for this type of system.

Hierarchical modeling and its numerical implementation for layered thin elastic structures

Energy Technology Data Exchange (ETDEWEB)

Cho, Jin-Rae [Hongik University, Sejong (Korea, Republic of)

2017-05-15

Thin elastic structures such as beam- and plate-like structures and laminates are characterized by the small thickness, which lead to classical plate and laminate theories in which the displacement fields through the thickness are assumed linear or higher-order polynomials. These classical theories are either insufficient to represent the complex stress variation through the thickness or may encounter the accuracy-computational cost dilemma. In order to overcome the inherent problem of classical theories, the concept of hierarchical modeling has been emerged. In the hierarchical modeling, the hierarchical models with different model levels are selected and combined within a structure domain, in order to make the modeling error be distributed as uniformly as possible throughout the problem domain. The purpose of current study is to explore the potential of hierarchical modeling for the effective numerical analysis of layered structures such as laminated composite. For this goal, the hierarchical models are constructed and the hierarchical modeling is implemented by selectively adjusting the level of hierarchical models. As well, the major characteristics of hierarchical models are investigated through the numerical experiments.

Hidden multidimensional social structure modeling applied to biased social perception

Science.gov (United States)

Maletić, Slobodan; Zhao, Yi

2018-02-01

Intricacies of the structure of social relations are realized by representing a collection of overlapping opinions as a simplicial complex, thus building latent multidimensional structures, through which agents are, virtually, moving as they exchange opinions. The influence of opinion space structure on the distribution of opinions is demonstrated by modeling consensus phenomena when the opinion exchange between individuals may be affected by the false consensus effect. The results indicate that in the cases with and without bias, the road toward consensus is influenced by the structure of multidimensional space of opinions, and in the biased case, complete consensus is achieved. The applications of proposed modeling framework can easily be generalized, as they transcend opinion formation modeling.

Testing strong factorial invariance using three-level structural equation modeling

Directory of Open Access Journals (Sweden)

Suzanne eJak

2014-07-01

Full Text Available Within structural equation modeling, the most prevalent model to investigate measurement bias is the multigroup model. Equal factor loadings and intercepts across groups in a multigroup model represent strong factorial invariance (absence of measurement bias across groups. Although this approach is possible in principle, it is hardly practical when the number of groups is large or when the group size is relatively small. Jak, Oort and Dolan (2013 showed how strong factorial invariance across large numbers of groups can be tested in a multilevel structural equation modeling framework, by treating group as a random instead of a fixed variable. In the present study, this model is extended for use with three-level data. The proposed method is illustrated with an investigation of strong factorial invariance across 156 school classes and 50 schools in a Dutch dyscalculia test, using three-level structural equation modeling.

Modeling of Triangular Lattice Space Structures with Curved Battens

Science.gov (United States)

Chen, Tzikang; Wang, John T.

2005-01-01

Techniques for simulating an assembly process of lattice structures with curved battens were developed. The shape of the curved battens, the tension in the diagonals, and the compression in the battens were predicted for the assembled model. To be able to perform the assembly simulation, a cable-pulley element was implemented, and geometrically nonlinear finite element analyses were performed. Three types of finite element models were created from assembled lattice structures for studying the effects of design and modeling variations on the load carrying capability. Discrepancies in the predictions from these models were discussed. The effects of diagonal constraint failure were also studied.

Reference Management Methodologies for Large Structural Models at Kennedy Space Center

Science.gov (United States)

Jones, Corey; Bingham, Ryan; Schmidt, Rick

2011-01-01

There have been many challenges associated with modeling some of NASA KSC's largest structures. Given the size of the welded structures here at KSC, it was critically important to properly organize model struc.ture and carefully manage references. Additionally, because of the amount of hardware to be installed on these structures, it was very important to have a means to coordinate between different design teams and organizations, check for interferences, produce consistent drawings, and allow for simple release processes. Facing these challenges, the modeling team developed a unique reference management methodology and model fidelity methodology. This presentation will describe the techniques and methodologies that were developed for these projects. The attendees will learn about KSC's reference management and model fidelity methodologies for large structures. The attendees will understand the goals of these methodologies. The attendees will appreciate the advantages of developing a reference management methodology.

Expansion of IFC model with structural sensors

Directory of Open Access Journals (Sweden)

Rio, J.

2013-06-01

Full Text Available The instrumentation and structural health monitoring, SHM, of buildings is a growing field in the construction industry. The goal of this research work is to explore ways of modeling SHM systems, and the resulting data collected from buildings, in standard information management system such as Building Information Models, BIM. These models need to be stored in digital databases with structures suitable for the specific building related information. In this work the Industry Foundation Classes, IFC, data model was used. A case study is presented to assess the applicability of the present IFC standard as a tool to build a three-dimensional digital model of a real instrumented building, as well as some of the structural sensors and their results. The interoperability of the digital model was verified by using different modeling, viewing and analysis software tools. Limitations of the current IFC model were explored and extensions to the sensor classes are proposed.La instrumentación y monitorización de la salud estructural de edificios, SHM, es un campo creciente en la industria de la construcción. El objetivo del presente trabajo es estudiar la modelación de sistemas SHM tomados de edificios en un modelo digital BIM e la sua integración de datos. Estos modelos deben almacenarse en bases de datos con una estructura apropiada para albergar información específica relacionada con la construcción. En este trabajo se utilizó el estándar Industry Foundation Classes, IFC. Se presenta un estudio de caso para evaluar la norma IFC como herramienta para modelar un edificio real instrumentado, así como algunos sensores estruturales e sus resultados. La inter-operatividad de lo modelo digital se ha comprobado mediante el uso de diferentes herramientas de software de modelación, visualización y análisis. Se exploran además limitaciones del modelo IFC y se proponen extensiones de las clases de sensores.

Towards aspect-oriented functional–structural plant modelling

Science.gov (United States)

Cieslak, Mikolaj; Seleznyova, Alla N.; Prusinkiewicz, Przemyslaw; Hanan, Jim

2011-01-01

Background and Aims Functional–structural plant models (FSPMs) are used to integrate knowledge and test hypotheses of plant behaviour, and to aid in the development of decision support systems. A significant amount of effort is being put into providing a sound methodology for building them. Standard techniques, such as procedural or object-oriented programming, are not suited for clearly separating aspects of plant function that criss-cross between different components of plant structure, which makes it difficult to reuse and share their implementations. The aim of this paper is to present an aspect-oriented programming approach that helps to overcome this difficulty. Methods The L-system-based plant modelling language L+C was used to develop an aspect-oriented approach to plant modelling based on multi-modules. Each element of the plant structure was represented by a sequence of L-system modules (rather than a single module), with each module representing an aspect of the element's function. Separate sets of productions were used for modelling each aspect, with context-sensitive rules facilitated by local lists of modules to consider/ignore. Aspect weaving or communication between aspects was made possible through the use of pseudo-L-systems, where the strict-predecessor of a production rule was specified as a multi-module. Key Results The new approach was used to integrate previously modelled aspects of carbon dynamics, apical dominance and biomechanics with a model of a developing kiwifruit shoot. These aspects were specified independently and their implementation was based on source code provided by the original authors without major changes. Conclusions This new aspect-oriented approach to plant modelling is well suited for studying complex phenomena in plant science, because it can be used to integrate separate models of individual aspects of plant development and function, both previously constructed and new, into clearly organized, comprehensive FSPMs. In

Towards aspect-oriented functional--structural plant modelling.

Science.gov (United States)

Cieslak, Mikolaj; Seleznyova, Alla N; Prusinkiewicz, Przemyslaw; Hanan, Jim

2011-10-01

Functional-structural plant models (FSPMs) are used to integrate knowledge and test hypotheses of plant behaviour, and to aid in the development of decision support systems. A significant amount of effort is being put into providing a sound methodology for building them. Standard techniques, such as procedural or object-oriented programming, are not suited for clearly separating aspects of plant function that criss-cross between different components of plant structure, which makes it difficult to reuse and share their implementations. The aim of this paper is to present an aspect-oriented programming approach that helps to overcome this difficulty. The L-system-based plant modelling language L+C was used to develop an aspect-oriented approach to plant modelling based on multi-modules. Each element of the plant structure was represented by a sequence of L-system modules (rather than a single module), with each module representing an aspect of the element's function. Separate sets of productions were used for modelling each aspect, with context-sensitive rules facilitated by local lists of modules to consider/ignore. Aspect weaving or communication between aspects was made possible through the use of pseudo-L-systems, where the strict-predecessor of a production rule was specified as a multi-module. The new approach was used to integrate previously modelled aspects of carbon dynamics, apical dominance and biomechanics with a model of a developing kiwifruit shoot. These aspects were specified independently and their implementation was based on source code provided by the original authors without major changes. This new aspect-oriented approach to plant modelling is well suited for studying complex phenomena in plant science, because it can be used to integrate separate models of individual aspects of plant development and function, both previously constructed and new, into clearly organized, comprehensive FSPMs. In a future work, this approach could be further

Structural Equation Modeling with the Smartpls

Directory of Open Access Journals (Sweden)

Christian M. Ringle

2014-05-01

Full Text Available The objective of this article is to present a didactic example of Structural Equation Modeling using the software SmartPLS 2.0 M3. The program mentioned uses the method of Partial Least Squares and seeks to address the following situations frequently observed in marketing research: Absence of symmetric distributions of variables measured by a theory still in its beginning phase or with little “consolidation”, formative models, and/or a limited amount of data. The growing use of SmartPLS has demonstrated its robustness and the applicability of the model in the areas that are being studied. 

Model Reduction in Dynamic Finite Element Analysis of Lightweight Structures

DEFF Research Database (Denmark)

Flodén, Ola; Persson, Kent; Sjöström, Anders

2012-01-01

models may be created by assembling models of floor and wall structures into large models of complete buildings. When assembling the floor and wall models, the number of degrees of freedom quickly increases to exceed the limits of computer capacity, at least in a reasonable amount of computational time...... Hz. Three different methods of model reduction were investigated; Guyan reduction, component mode synthesis and a third approach where a new finite element model was created with structural elements. Eigenvalue and steady-state analyses were performed in order to compare the errors...

Continuum modeling of three-dimensional truss-like space structures

Science.gov (United States)

Nayfeh, A. H.; Hefzy, M. S.

1978-01-01

A mathematical and computational analysis capability has been developed for calculating the effective mechanical properties of three-dimensional periodic truss-like structures. Two models are studied in detail. The first, called the octetruss model, is a three-dimensional extension of a two-dimensional model, and the second is a cubic model. Symmetry considerations are employed as a first step to show that the specific octetruss model has four independent constants and that the cubic model has two. The actual values of these constants are determined by averaging the contributions of each rod element to the overall structure stiffness. The individual rod member contribution to the overall stiffness is obtained by a three-dimensional coordinate transformation. The analysis shows that the effective three-dimensional elastic properties of both models are relatively close to each other.

Linking advanced fracture models to structural analysis

Energy Technology Data Exchange (ETDEWEB)

Chiesa, Matteo

2001-07-01

Shell structures with defects occur in many situations. The defects are usually introduced during the welding process necessary for joining different parts of the structure. Higher utilization of structural materials leads to a need for accurate numerical tools for reliable prediction of structural response. The direct discretization of the cracked shell structure with solid finite elements in order to perform an integrity assessment of the structure in question leads to large size problems, and makes such analysis infeasible in structural application. In this study a link between local material models and structural analysis is outlined. An ''ad hoc'' element formulation is used in order to connect complex material models to the finite element framework used for structural analysis. An improved elasto-plastic line spring finite element formulation, used in order to take cracks into account, is linked to shell elements which are further linked to beam elements. In this way one obtain a global model of the shell structure that also accounts for local flexibilities and fractures due to defects. An important advantage with such an approach is a direct fracture mechanics assessment e.g. via computed J-integral or CTOD. A recent development in this approach is the notion of two-parameter fracture assessment. This means that the crack tip stress tri-axiality (constraint) is employed in determining the corresponding fracture toughness, giving a much more realistic capacity of cracked structures. The present thesis is organized in six research articles and an introductory chapter that reviews important background literature related to this work. Paper I and II address the performance of shell and line spring finite elements as a cost effective tool for performing the numerical calculation needed to perform a fracture assessment. In Paper II a failure assessment, based on the testing of a constraint-corrected fracture mechanics specimen under tension, is

Discrete Discriminant analysis based on tree-structured graphical models

DEFF Research Database (Denmark)

Perez de la Cruz, Gonzalo; Eslava, Guillermina

The purpose of this paper is to illustrate the potential use of discriminant analysis based on tree{structured graphical models for discrete variables. This is done by comparing its empirical performance using estimated error rates for real and simulated data. The results show that discriminant a...... analysis based on tree{structured graphical models is a simple nonlinear method competitive with, and sometimes superior to, other well{known linear methods like those assuming mutual independence between variables and linear logistic regression.......The purpose of this paper is to illustrate the potential use of discriminant analysis based on tree{structured graphical models for discrete variables. This is done by comparing its empirical performance using estimated error rates for real and simulated data. The results show that discriminant...

Using instability to reconfigure smart structures in a spring-mass model

Science.gov (United States)

Zhang, Jiaying; McInnes, Colin R.

2017-07-01

Multistable phenomenon have long been used in mechanism design. In this paper a subset of unstable configurations of a smart structure model will be used to develop energy-efficient schemes to reconfigure the structure. This new concept for reconfiguration uses heteroclinic connections to transition the structure between different unstable equal-energy states. In an ideal structure model zero net energy input is required for the reconfiguration, compared to transitions between stable equilibria across a potential barrier. A simple smart structure model is firstly used to identify sets of equal-energy unstable configurations using dynamical systems theory. Dissipation is then added to be more representative of a practical structure. A range of strategies are then used to reconfigure the smart structure using heteroclinic connections with different approaches to handle dissipation.

Data Structure Analysis to Represent Basic Models of Finite State Automation

Directory of Open Access Journals (Sweden)

V. V. Gurenko

2015-01-01

Full Text Available Complex system engineering based on the automaton models requires a reasoned data structure selection to implement them. The problem of automaton representation and data structure selection to be used in it has been understudied. Arbitrary data structure selection for automaton model software implementation leads to unnecessary computational burden and reduces the developed system efficiency. This article proposes an approach to the reasoned selection of data structures to represent finite algoristic automaton basic models and gives practical considerations based on it.Static and dynamic data structures are proposed for three main ways to assign Mealy and Moore automatons: a transition table, a matrix of coupling and a transition graph. A thirddimensional array, a rectangular matrix and a matrix of lists are the static structures. Dynamic structures are list-oriented structures: two-level and three-level Ayliff vectors and a multi-linked list. These structures allow us to store all required information about finite state automaton model components - characteristic set cardinalities and data of transition and output functions.A criterion system is proposed for data structure comparative evaluation in virtue of algorithmic features of automata theory problems. The criteria focused on capacitive and time computational complexity of operations performed in tasks such as equivalent automaton conversions, proving of automaton equivalence and isomorphism, and automaton minimization.A data structure comparative analysis based on the criterion system has done for both static and dynamic type. The analysis showed advantages of the third-dimensional array, matrix and two-level Ayliff vector. These are structures that assign automaton by transition table. For these structures an experiment was done to measure the execution time of automation operations included in criterion system.The analysis of experiment results showed that a dynamic structure - two

Modelling and analysing oriented fibrous structures

International Nuclear Information System (INIS)

Rantala, M; Lassas, M; Siltanen, S; Sampo, J; Takalo, J; Timonen, J

2014-01-01

A mathematical model for fibrous structures using a direction dependent scaling law is presented. The orientation of fibrous nets (e.g. paper) is analysed with a method based on the curvelet transform. The curvelet-based orientation analysis has been tested successfully on real data from paper samples: the major directions of fibrefibre orientation can apparently be recovered. Similar results are achieved in tests on data simulated by the new model, allowing a comparison with ground truth

Mass transfer models analysis for the structured packings

International Nuclear Information System (INIS)

Suastegui R, A.O.

1997-01-01

The models that have been developing, to understand the mechanism of the mass transfer through the structured packings, present limitations for their application, existing then uncertainty in order to use them in the chemical industrial processes. In this study the main parameters used in the mass transfer are: the hydrodynamic of the bed of the column, the geometry of the bed, physical-chemical properties of the mixture and the flow regime of the operation between the flows liquid-gas. The sensibility of each one of these parameters generate an arduous work to develop right proposals and good interpretation of the phenomenon. With the purpose of showing the importance of these parameters mentioned in the mass transfer, this work is analyzed the process of absorption for the system water-air, using the models to the structured packings in packed columns. The models selected were developed by Bravo and collaborators in 1985 and 1992, in order to determine the parameters previous mentioned for the system water-air, using a structured packing built in the National Institute of Nuclear Research. In this work is showed the results of the models application and their discussion. (Author)

Flavor structure of warped extra dimension models

International Nuclear Information System (INIS)

Agashe, Kaustubh; Perez, Gilad; Soni, Amarjit

2005-01-01

We recently showed that warped extra-dimensional models with bulk custodial symmetry and few TeV Kaluza-Klein (KK) masses lead to striking signals at B factories. In this paper, using a spurion analysis, we systematically study the flavor structure of models that belong to the above class. In particular we find that the profiles of the zero modes, which are similar in all these models, essentially control the underlying flavor structure. This implies that our results are robust and model independent in this class of models. We discuss in detail the origin of the signals in B physics. We also briefly study other new physics signatures that arise in rare K decays (K→πνν), in rare top decays [t→cγ(Z,gluon)], and the possibility of CP asymmetries in D 0 decays to CP eigenstates such as K S π 0 and others. Finally we demonstrate that with light KK masses, ∼3 TeV, the above class of models with anarchic 5D Yukawas has a 'CP problem' since contributions to the neutron electric dipole moment are roughly 20 times larger than the current experimental bound. Using AdS/CFT correspondence, these extra-dimensional models are dual to a purely 4D strongly coupled conformal Higgs sector thus enhancing their appeal

Flavor Structure of Warped Extra Dimension Models

International Nuclear Information System (INIS)

Agashe, Kaustubh; Perez, Gilad; Soni, Amarjit

2004-01-01

We recently showed, in HEP-PH--0406101, that warped extra dimensional models with bulk custodial symmetry and few TeV KK masses lead to striking signals at B-factories. In this paper, using a spurion analysis, we systematically study the flavor structure of models that belong to the above class. In particular we find that the profiles of the zero modes, which are similar in all these models, essentially control the underlying flavor structure. This implies that our results are robust and model independent in this class of models. We discuss in detail the origin of the signals in B-physics. We also briefly study other NP signatures that arise in rare K decays (K → πνν), in rare top decays [t → cγ(Z, gluon)] and the possibility of CP asymmetries in D 0 decays to CP eigenstates such as K s π 0 and others. Finally we demonstrate that with light KK masses, ∼ 3 TeV, the above class of models with anarchic 5D Yukawas has a ''CP problem'' since contributions to the neutron electric dipole moment are roughly 20 times larger than the current experimental bound. Using AdS/CFT correspondence, these extra-dimensional models are dual to a purely 4D strongly coupled conformal Higgs sector thus enhancing their appeal

Modeling Bistable Composite Laminates for Piezoelectric Morphing Structures

OpenAIRE

Darryl V. Murray; Oliver J. Myers

2013-01-01

A sequential modeling effort for bistable composite laminates for piezoelectric morphing structures is presented. Thin unsymmetric carbon fiber composite laminates are examined for use of morphing structures using piezoelectric actuation. When cooling from the elevated cure temperature to room temperature, these unsymmetric composite laminates will deform. These postcure room temperature deformation shapes can be used as morphing structures. Applying a force to these deformed laminates will c...

A model for adatom structures

Science.gov (United States)

Kappus, W.

1981-06-01

A model concerning adatom structures is proposed. Attractive nearest neighbour interactions, which may be of electronic nature lead to 2-dimensional condensation. Every pair bond causes and elastic dipole. The elastic dipoles interact via substrate strains with an anisotropic s -3 power law. Different types of adatoms or sites are permitted and many-body effects result, from the assumptions. Electric dipole interactions of adatoms are included for comparison. The model is applied to the W(110) surface and compared with superstructures experimentally found in the W(110)-0 system. It is found that there is still lack for an additional next-nearest neighbour interaction.

A sequential model for the structure of health care utilization.

NARCIS (Netherlands)

Herrmann, W.J.; Haarmann, A.; Baerheim, A.

2017-01-01

Traditional measurement models of health care utilization are not able to represent the complex structure of health care utilization. In this qualitative study, we, therefore, developed a new model to represent the health care utilization structure. In Norway and Germany, we conducted episodic

A bio-inspired memory model for structural health monitoring

International Nuclear Information System (INIS)

Zheng, Wei; Zhu, Yong

2009-01-01

Long-term structural health monitoring (SHM) systems need intelligent management of the monitoring data. By analogy with the way the human brain processes memories, we present a bio-inspired memory model (BIMM) that does not require prior knowledge of the structure parameters. The model contains three time-domain areas: a sensory memory area, a short-term memory area and a long-term memory area. First, the initial parameters of the structural state are specified to establish safety criteria. Then the large amount of monitoring data that falls within the safety limits is filtered while the data outside the safety limits are captured instantly in the sensory memory area. Second, disturbance signals are distinguished from danger signals in the short-term memory area. Finally, the stable data of the structural balance state are preserved in the long-term memory area. A strategy for priority scheduling via fuzzy c-means for the proposed model is then introduced. An experiment on bridge tower deformation demonstrates that the proposed model can be applied for real-time acquisition, limited-space storage and intelligent mining of the monitoring data in a long-term SHM system

A bio-inspired memory model for structural health monitoring

Science.gov (United States)

Zheng, Wei; Zhu, Yong

2009-04-01

Long-term structural health monitoring (SHM) systems need intelligent management of the monitoring data. By analogy with the way the human brain processes memories, we present a bio-inspired memory model (BIMM) that does not require prior knowledge of the structure parameters. The model contains three time-domain areas: a sensory memory area, a short-term memory area and a long-term memory area. First, the initial parameters of the structural state are specified to establish safety criteria. Then the large amount of monitoring data that falls within the safety limits is filtered while the data outside the safety limits are captured instantly in the sensory memory area. Second, disturbance signals are distinguished from danger signals in the short-term memory area. Finally, the stable data of the structural balance state are preserved in the long-term memory area. A strategy for priority scheduling via fuzzy c-means for the proposed model is then introduced. An experiment on bridge tower deformation demonstrates that the proposed model can be applied for real-time acquisition, limited-space storage and intelligent mining of the monitoring data in a long-term SHM system.

MAGDM linear-programming models with distinct uncertain preference structures.

Science.gov (United States)

Xu, Zeshui S; Chen, Jian

2008-10-01

Group decision making with preference information on alternatives is an interesting and important research topic which has been receiving more and more attention in recent years. The purpose of this paper is to investigate multiple-attribute group decision-making (MAGDM) problems with distinct uncertain preference structures. We develop some linear-programming models for dealing with the MAGDM problems, where the information about attribute weights is incomplete, and the decision makers have their preferences on alternatives. The provided preference information can be represented in the following three distinct uncertain preference structures: 1) interval utility values; 2) interval fuzzy preference relations; and 3) interval multiplicative preference relations. We first establish some linear-programming models based on decision matrix and each of the distinct uncertain preference structures and, then, develop some linear-programming models to integrate all three structures of subjective uncertain preference information provided by the decision makers and the objective information depicted in the decision matrix. Furthermore, we propose a simple and straightforward approach in ranking and selecting the given alternatives. It is worth pointing out that the developed models can also be used to deal with the situations where the three distinct uncertain preference structures are reduced to the traditional ones, i.e., utility values, fuzzy preference relations, and multiplicative preference relations. Finally, we use a practical example to illustrate in detail the calculation process of the developed approach.

Integrating centralized and decentralized organization structures: an education and development model.

Science.gov (United States)

Sheriff, R; Banks, A

2001-01-01

Organization change efforts have led to critically examining the structure of education and development departments within hospitals. This qualitative study evaluated an education and development model in an academic health sciences center. The model combines centralization and decentralization. The study results can be used by staff development educators and administrators when organization structure is questioned. This particular model maximizes the benefits and minimizes the limitations of centralized and decentralized structures.

An effective medium model versus a network model for nano-structured solar cells

International Nuclear Information System (INIS)

Minnaert, B.; Grasso, C.; Burgelman, M.

2006-01-01

In this paper, two methods are compared to model the I-V curves of nano-structured solar cells. These cells consist of an interpenetrating network of an n-type transparent semiconductor oxide (e.g. TiO 2 ) and a p-type semiconductor absorber (e.g. CdTe, CuInS 2 ), deposited on TCO covered glass. The methods are also applicable when a dye and an electrolyte replace the p-semiconductor, and even to organic bulk heterojunction cells. A network model (NM) with resistors and diodes has been published by us before. Another method which has been proposed in the literature is an effective medium model (EMM). In this model, the whole p-n nano-structure is represented by one single effective semiconductor layer, which then is fed into a standard solar cell device simulator, e.g. SCAPS. In this work, it is shown that the NM and the EMM can describe the same physical structure, when they are set up properly. As an illustration, some problems are described both by EMM and NM, and the results are compared. The EMM in this work confirms the results obtained earlier with a simplified NM (constant R n , R p ): when illuminating the n-side, the structure is tolerant to R n but not to R p ; the interpenetrating geometry is disadvantageous for V oc . (authors)

Organizational models as configurations of structure, culture, leadership, control, and change strategy

Directory of Open Access Journals (Sweden)

Janićijević Nebojša

2017-01-01

Full Text Available Starting from the axioms of consistency, stability, contingency, and configuration, research on organizational structure, culture, control, leadership, and change management strategy has shown that their typical configurations, or models, can be differentiated according to the same two criteria: distribution of power and dominant organizational dimension. On the one hand there are models of structure, culture, control, leadership, and change management strategy that are based on an unequal, or authoritarian, distribution of power within organizations, while on the other hand there are models that are based on democratic, or equal, distribution of power. Also, on the one hand there are models of structure, culture, control, leadership, and change strategy that are based on work structure and tasks, while on the other hand there are models of these organizational components that are based on social structure, people, and their relationships. Harmonization of typical configurations of organizational structure, culture, control, leadership, and change strategy occurs due to the harmonization of the differentiation criteria. Based on this harmonization, four organizational models have been identified as typical configurations of structure, culture, control, leadership, and change strategy: the autocratic, bureaucratic, innovative, and task models. Each of these models is effective in a different environmental contingency.

AN EFFICIENT STRUCTURAL REANALYSIS MODEL FOR ...

African Journals Online (AJOL)

be required if complete and exact analysis would be carried out. This paper ... qualities even under significantly large design modifications. A numerical example has been presented to show potential capabilities of theproposed model. INTRODUCTION ... equilibrium conditions in the structural system and the subsequent ...

Wind Turbine Model and Observer in Takagi-Sugeno Model Structure

International Nuclear Information System (INIS)

Georg, Sören; Müller, Matthias; Schulte, Horst

2014-01-01

Based on a reduced-order, dynamic nonlinear wind turbine model in Takagi- Sugeno (TS) model structure, a TS state observer is designed as a disturbance observer to estimate the unknown effective wind speed. The TS observer model is an exact representation of the underlying nonlinear model, obtained by means of the sector-nonlinearity approach. The observer gain matrices are obtained by means of a linear matrix inequality (LMI) design approach for optimal fuzzy control, where weighting matrices for the individual system states and outputs are included. The observer is tested in simulations with the aero-elastic code FAST for the NREL 5 MW reference turbine, where it shows a stable behaviour in turbulent wind simulations

Extending existing structural identifiability analysis methods to mixed-effects models.

Science.gov (United States)

Janzén, David L I; Jirstrand, Mats; Chappell, Michael J; Evans, Neil D

2018-01-01

The concept of structural identifiability for state-space models is expanded to cover mixed-effects state-space models. Two methods applicable for the analytical study of the structural identifiability of mixed-effects models are presented. The two methods are based on previously established techniques for non-mixed-effects models; namely the Taylor series expansion and the input-output form approach. By generating an exhaustive summary, and by assuming an infinite number of subjects, functions of random variables can be derived which in turn determine the distribution of the system's observation function(s). By considering the uniqueness of the analytical statistical moments of the derived functions of the random variables, the structural identifiability of the corresponding mixed-effects model can be determined. The two methods are applied to a set of examples of mixed-effects models to illustrate how they work in practice. Copyright © 2017 Elsevier Inc. All rights reserved.

A modelling framework to simulate foliar fungal epidemics using functional-structural plant models.

Science.gov (United States)

Garin, Guillaume; Fournier, Christian; Andrieu, Bruno; Houlès, Vianney; Robert, Corinne; Pradal, Christophe

2014-09-01

Sustainable agriculture requires the identification of new, environmentally responsible strategies of crop protection. Modelling of pathosystems can allow a better understanding of the major interactions inside these dynamic systems and may lead to innovative protection strategies. In particular, functional-structural plant models (FSPMs) have been identified as a means to optimize the use of architecture-related traits. A current limitation lies in the inherent complexity of this type of modelling, and thus the purpose of this paper is to provide a framework to both extend and simplify the modelling of pathosystems using FSPMs. Different entities and interactions occurring in pathosystems were formalized in a conceptual model. A framework based on these concepts was then implemented within the open-source OpenAlea modelling platform, using the platform's general strategy of modelling plant-environment interactions and extending it to handle plant interactions with pathogens. New developments include a generic data structure for representing lesions and dispersal units, and a series of generic protocols to communicate with objects representing the canopy and its microenvironment in the OpenAlea platform. Another development is the addition of a library of elementary models involved in pathosystem modelling. Several plant and physical models are already available in OpenAlea and can be combined in models of pathosystems using this framework approach. Two contrasting pathosystems are implemented using the framework and illustrate its generic utility. Simulations demonstrate the framework's ability to simulate multiscaled interactions within pathosystems, and also show that models are modular components within the framework and can be extended. This is illustrated by testing the impact of canopy architectural traits on fungal dispersal. This study provides a framework for modelling a large number of pathosystems using FSPMs. This structure can accommodate both

Research and development of earthquake-resistant structure model for nuclear fuel facility

Energy Technology Data Exchange (ETDEWEB)

Uryu, Mitsuru; Terada, S.; Shioya, I. [and others

1999-05-01

It is important for a nuclear fuel facility to reduce an input intensity of earthquake on the upper part of the building. To study of a response of the building caused by earthquake, an earthquake-resistant structure model is constructed. The weight of the structure model is 90 ton, and is supported by multiple layers of natural ruber and steel. And a weight support device which is called 'softlanding' is also installed to prevent the structure model from loosing the function at excess deformation. The softlanding device consists of Teflon. Dynamic response characteristics of the structure model caused by sine wave and simulated seismic waves are measured and analyzed. Soil tests of the fourth geologic stratum on which the structure model is sited are made to confirm the safety of soil-structure interactions caused by earthquake. (M. Suetake)

Structures and scan strategies of software net models

International Nuclear Information System (INIS)

Puhr-Westerheide, P.; Sandbaek, H.

1984-01-01

The present paper deals with some aspects of plant control and monitoring systems as used in nuclear power plants. These aspects concern executable net models to run on computers. A short survey on the nets' environment and on some net scan strategies is given. Among the strategies are the 'topologically ordered scan' and the 'signal propagation scan'. A combined method 'topologically ordered signal propagation (TOSIP) scan' will be outlined as well as a net model data structure that allows the definition of subsystems for the use of clear structuration and dischargement to distributed systems. (author)

Structure and thermodynamics of core-softened models for alcohols

International Nuclear Information System (INIS)

Munaò, Gianmarco; Urbic, Tomaz

2015-01-01

The phase behavior and the fluid structure of coarse-grain models for alcohols are studied by means of reference interaction site model (RISM) theory and Monte Carlo simulations. Specifically, we model ethanol and 1-propanol as linear rigid chains constituted by three (trimers) and four (tetramers) partially fused spheres, respectively. Thermodynamic properties of these models are examined in the RISM context, by employing closed formulæ for the calculation of free energy and pressure. Gas-liquid coexistence curves for trimers and tetramers are reported and compared with already existing data for a dimer model of methanol. Critical temperatures slightly increase with the number of CH 2 groups in the chain, while critical pressures and densities decrease. Such a behavior qualitatively reproduces the trend observed in experiments on methanol, ethanol, and 1-propanol and suggests that our coarse-grain models, despite their simplicity, can reproduce the essential features of the phase behavior of such alcohols. The fluid structure of these models is investigated by computing radial distribution function g ij (r) and static structure factor S ij (k); the latter shows the presence of a low−k peak at intermediate-high packing fractions and low temperatures, suggesting the presence of aggregates for both trimers and tetramers

Soil Structure - A Neglected Component of Land-Surface Models

Science.gov (United States)

Fatichi, S.; Or, D.; Walko, R. L.; Vereecken, H.; Kollet, S. J.; Young, M.; Ghezzehei, T. A.; Hengl, T.; Agam, N.; Avissar, R.

2017-12-01

Soil structure is largely absent in most standard sampling and measurements and in the subsequent parameterization of soil hydraulic properties deduced from soil maps and used in Earth System Models. The apparent omission propagates into the pedotransfer functions that deduce parameters of soil hydraulic properties primarily from soil textural information. Such simple parameterization is an essential ingredient in the practical application of any land surface model. Despite the critical role of soil structure (biopores formed by decaying roots, aggregates, etc.) in defining soil hydraulic functions, only a few studies have attempted to incorporate soil structure into models. They mostly looked at the effects on preferential flow and solute transport pathways at the soil profile scale; yet, the role of soil structure in mediating large-scale fluxes remains understudied. Here, we focus on rectifying this gap and demonstrating potential impacts on surface and subsurface fluxes and system wide eco-hydrologic responses. The study proposes a systematic way for correcting the soil water retention and hydraulic conductivity functions—accounting for soil-structure—with major implications for near saturated hydraulic conductivity. Modification to the basic soil hydraulic parameterization is assumed as a function of biological activity summarized by Gross Primary Production. A land-surface model with dynamic vegetation is used to carry out numerical simulations with and without the role of soil-structure for 20 locations characterized by different climates and biomes across the globe. Including soil structure affects considerably the partition between infiltration and runoff and consequently leakage at the base of the soil profile (recharge). In several locations characterized by wet climates, a few hundreds of mm per year of surface runoff become deep-recharge accounting for soil-structure. Changes in energy fluxes, total evapotranspiration and vegetation productivity

On the structure of the quantum-mechanical probability models

International Nuclear Information System (INIS)

Cufaro-Petroni, N.

1992-01-01

In this paper the role of the mathematical probability models in the classical and quantum physics in shortly analyzed. In particular the formal structure of the quantum probability spaces (QPS) is contrasted with the usual Kolmogorovian models of probability by putting in evidence the connections between this structure and the fundamental principles of the quantum mechanics. The fact that there is no unique Kolmogorovian model reproducing a QPS is recognized as one of the main reasons of the paradoxical behaviors pointed out in the quantum theory from its early days. 8 refs

Modeling of A-DLTS Spectra of MOS Structures

Directory of Open Access Journals (Sweden)

Peter Hockicko

2008-01-01

Full Text Available Acquisition of basic characteristic of defects has become possible through a wide class of measurement techniqueswhich probe the interface, the near interface, as well as the bulk of semiconductor. Results presented here are basedessentially on the acoustic version of Deep Level Transient Spectroscopy (A-DLTS measurements. This method is based onthe acoustoelectric response effect observed at the interface. The A-DLTS uses the acoustoelectric response signal (ARSproduced by MOS structure interface when a longitudal acoustic wave propagates through a structure. The ARS is extremelysensitive to external conditions of the structure and reflects any changes in the charge distribution connected with chargedtraps. The temperature dependence of ARS after bias voltage step application is investigated and the activation energies andsome other parameters of traps at the insulator – semiconductor interface are determined. The results obtained formArrhenius plots of A-DLTS spectra of selected MOS structures are compared with results obtained from modeling of ADLTS spectra using theoretical model.

Essays on financial econometrics : modeling the term structure of interest rates

NARCIS (Netherlands)

Bouwman, Kees Evert

2008-01-01

This dissertation bundles five studies in financial econometrics that are related to the theme of modeling the term structure of interest rates. The main contribution of this dissertation is a new arbitrage-free term structure model that is applied in an empirical analysis of the US term structure.

Towards structural models of molecular recognition in olfactory receptors.

Science.gov (United States)

Afshar, M; Hubbard, R E; Demaille, J

1998-02-01

The G protein coupled receptors (GPCR) are an important class of proteins that act as signal transducers through the cytoplasmic membrane. Understanding the structure and activation mechanism of these proteins is crucial for understanding many different aspects of cellular signalling. The olfactory receptors correspond to the largest family of GPCRs. Very little is known about how the structures of the receptors govern the specificity of interaction which enables identification of particular odorant molecules. In this paper, we review recent developments in two areas of molecular modelling: methods for modelling the configuration of trans-membrane helices and methods for automatic docking of ligands into receptor structures. We then show how a subset of these methods can be combined to construct a model of a rat odorant receptor interacting with lyral for which experimental data are available. This modelling can help us make progress towards elucidating the specificity of interactions between receptors and odorant molecules.

Models of protein–ligand crystal structures: trust, but verify

Science.gov (United States)

Deller, Marc C.

2015-01-01

X-ray crystallography provides the most accurate models of protein–ligand structures. These models serve as the foundation of many computational methods including structure prediction, molecular modelling, and structure-based drug design. The success of these computational methods ultimately depends on the quality of the underlying protein–ligand models. X-ray crystallography offers the unparalleled advantage of a clear mathematical formalism relating the experimental data to the protein–ligand model. In the case of X-ray crystallography, the primary experimental evidence is the electron density of the molecules forming the crystal. The first step in the generation of an accurate and precise crystallographic model is the interpretation of the electron density of the crystal, typically carried out by construction of an atomic model. The atomic model must then be validated for fit to the experimental electron density and also for agreement with prior expectations of stereochemistry. Stringent validation of protein–ligand models has become possible as a result of the mandatory deposition of primary diffraction data, and many computational tools are now available to aid in the validation process. Validation of protein–ligand complexes has revealed some instances of overenthusiastic interpretation of ligand density. Fundamental concepts and metrics of protein–ligand quality validation are discussed and we highlight software tools to assist in this process. It is essential that end users select high quality protein–ligand models for their computational and biological studies, and we provide an overview of how this can be achieved. PMID:25665575

Models of protein-ligand crystal structures: trust, but verify.

Science.gov (United States)

Deller, Marc C; Rupp, Bernhard

2015-09-01

X-ray crystallography provides the most accurate models of protein-ligand structures. These models serve as the foundation of many computational methods including structure prediction, molecular modelling, and structure-based drug design. The success of these computational methods ultimately depends on the quality of the underlying protein-ligand models. X-ray crystallography offers the unparalleled advantage of a clear mathematical formalism relating the experimental data to the protein-ligand model. In the case of X-ray crystallography, the primary experimental evidence is the electron density of the molecules forming the crystal. The first step in the generation of an accurate and precise crystallographic model is the interpretation of the electron density of the crystal, typically carried out by construction of an atomic model. The atomic model must then be validated for fit to the experimental electron density and also for agreement with prior expectations of stereochemistry. Stringent validation of protein-ligand models has become possible as a result of the mandatory deposition of primary diffraction data, and many computational tools are now available to aid in the validation process. Validation of protein-ligand complexes has revealed some instances of overenthusiastic interpretation of ligand density. Fundamental concepts and metrics of protein-ligand quality validation are discussed and we highlight software tools to assist in this process. It is essential that end users select high quality protein-ligand models for their computational and biological studies, and we provide an overview of how this can be achieved.

Quadratic Term Structure Models in Discrete Time

OpenAIRE

Marco Realdon

2006-01-01

This paper extends the results on quadratic term structure models in continuos time to the discrete time setting. The continuos time setting can be seen as a special case of the discrete time one. Recursive closed form solutions for zero coupon bonds are provided even in the presence of multiple correlated underlying factors. Pricing bond options requires simple integration. Model parameters may well be time dependent without scuppering such tractability. Model estimation does not require a r...

Feature Extraction for Structural Dynamics Model Validation

Energy Technology Data Exchange (ETDEWEB)

Farrar, Charles [Los Alamos National Laboratory; Nishio, Mayuko [Yokohama University; Hemez, Francois [Los Alamos National Laboratory; Stull, Chris [Los Alamos National Laboratory; Park, Gyuhae [Chonnam Univesity; Cornwell, Phil [Rose-Hulman Institute of Technology; Figueiredo, Eloi [Universidade Lusófona; Luscher, D. J. [Los Alamos National Laboratory; Worden, Keith [University of Sheffield

2016-01-13

As structural dynamics becomes increasingly non-modal, stochastic and nonlinear, finite element model-updating technology must adopt the broader notions of model validation and uncertainty quantification. For example, particular re-sampling procedures must be implemented to propagate uncertainty through a forward calculation, and non-modal features must be defined to analyze nonlinear data sets. The latter topic is the focus of this report, but first, some more general comments regarding the concept of model validation will be discussed.

Structured Event-B Models and Proofs

DEFF Research Database (Denmark)

Hallerstede, Stefan

2010-01-01

Event-B does not provide specific support for the modelling of problems that require some structuring, such as, local variables or sequential ordering of events. All variables need to be declared globally and sequential ordering of events can only be achieved by abstract program counters. This ha...

A tutorial on fundamental model structures for railway timetable optimization

DEFF Research Database (Denmark)

Harrod, Steven

2012-01-01

This guide explains the role of railway timetables relative to all other railway scheduling activities, and then presents four fundamental timetable formulations suitable for optimization. Timetabling models may be classified according to whether they explicitly model the track structure, and whe......This guide explains the role of railway timetables relative to all other railway scheduling activities, and then presents four fundamental timetable formulations suitable for optimization. Timetabling models may be classified according to whether they explicitly model the track structure...

Variable-Structure Control of a Model Glider Airplane

Science.gov (United States)

Waszak, Martin R.; Anderson, Mark R.

2008-01-01

A variable-structure control system designed to enable a fuselage-heavy airplane to recover from spin has been demonstrated in a hand-launched, instrumented model glider airplane. Variable-structure control is a high-speed switching feedback control technique that has been developed for control of nonlinear dynamic systems.

Integrated corporate structure life cycle management modeling and organization

OpenAIRE

Naumenko, M.; Morozova, L.

2011-01-01

Integrated business structure presented as complementary pool of its participants skills. The methodical approach to integrated business structure life cycle modeling proposed. Recommendations of enterprises life cycles stages correlate are submitted.

Lattice Modeling of Early-Age Behavior of Structural Concrete

OpenAIRE

Pan, Yaming; Prado, Armando; Porras, Roc?o; Hafez, Omar M.; Bolander, John E.

2017-01-01

The susceptibility of structural concrete to early-age cracking depends on material composition, methods of processing, structural boundary conditions, and a variety of environmental factors. Computational modeling offers a means for identifying primary factors and strategies for reducing cracking potential. Herein, lattice models are shown to be adept at simulating the thermal-hygral-mechanical phenomena that influence early-age cracking. In particular, this paper presents a lattice-based ap...

Testing the structure of a hydrological model using Genetic Programming

Science.gov (United States)

Selle, Benny; Muttil, Nitin

2011-01-01

SummaryGenetic Programming is able to systematically explore many alternative model structures of different complexity from available input and response data. We hypothesised that Genetic Programming can be used to test the structure of hydrological models and to identify dominant processes in hydrological systems. To test this, Genetic Programming was used to analyse a data set from a lysimeter experiment in southeastern Australia. The lysimeter experiment was conducted to quantify the deep percolation response under surface irrigated pasture to different soil types, watertable depths and water ponding times during surface irrigation. Using Genetic Programming, a simple model of deep percolation was recurrently evolved in multiple Genetic Programming runs. This simple and interpretable model supported the dominant process contributing to deep percolation represented in a conceptual model that was published earlier. Thus, this study shows that Genetic Programming can be used to evaluate the structure of hydrological models and to gain insight about the dominant processes in hydrological systems.

Global assemblages and structural models of International Relations

DEFF Research Database (Denmark)

Corry, Olaf

2014-01-01

-category of assemblages – those constructed as malleable and governable which I call ‘governance-objects’ – is central to structure in international relations. The chapter begins with standard definitions of what structures are – patterns of interaction between elements – and briefly covers the range of models currently...... used to simplify different structures. Next the chapter points to the blindness of most structural theories of IR to the role of assemblages in general and governance-objects in particular. Thirdly, the idea that a polity is constituted precisely by the assemblage of a governance...

A review on model updating of joint structure for dynamic analysis purpose

Directory of Open Access Journals (Sweden)

Zahari S.N.

2016-01-01

Full Text Available Structural joints provide connection between structural element (beam, plate etc. in order to construct a whole assembled structure. There are many types of structural joints such as bolted joint, riveted joints and welded joints. The joints structures significantly contribute to structural stiffness and dynamic behaviour of structures hence the main objectives of this paper are to review on method of model updating on joints structure and to discuss the guidelines to perform model updating for dynamic analysis purpose. This review paper firstly will outline some of the existing finite element modelling works of joints structure. Experimental modal analysis is the next step to obtain modal parameters (natural frequency & mode shape to validate and improve the discrepancy between results obtained from experimental and the simulation counterparts. Hence model updating will be carried out to minimize the differences between the two results. There are two methods of model updating; direct method and iterative method. Sensitivity analysis employed using SOL200 in NASTRAN by selecting the suitable updating parameters to avoid ill-conditioning problem. It is best to consider both geometrical and material properties in the updating procedure rather than choosing only a number of geometrical properties alone. Iterative method was chosen as the best model updating procedure because the physical meaning of updated parameters are guaranteed although this method required computational effort compare to direct method.

Conformational Sampling in Template-Free Protein Loop Structure Modeling: An Overview

OpenAIRE

Li, Yaohang

2013-01-01

Accurately modeling protein loops is an important step to predict three-dimensional structures as well as to understand functions of many proteins. Because of their high flexibility, modeling the three-dimensional structures of loops is difficult and is usually treated as a “mini protein folding problem” under geometric constraints. In the past decade, there has been remarkable progress in template-free loop structure modeling due to advances of computational methods as well as stably increas...

Structural and Molecular Modeling Features of P2X Receptors

Directory of Open Access Journals (Sweden)

Luiz Anastacio Alves

2014-03-01

Full Text Available Currently, adenosine 5'-triphosphate (ATP is recognized as the extracellular messenger that acts through P2 receptors. P2 receptors are divided into two subtypes: P2Y metabotropic receptors and P2X ionotropic receptors, both of which are found in virtually all mammalian cell types studied. Due to the difficulty in studying membrane protein structures by X-ray crystallography or NMR techniques, there is little information about these structures available in the literature. Two structures of the P2X4 receptor in truncated form have been solved by crystallography. Molecular modeling has proven to be an excellent tool for studying ionotropic receptors. Recently, modeling studies carried out on P2X receptors have advanced our knowledge of the P2X receptor structure-function relationships. This review presents a brief history of ion channel structural studies and shows how modeling approaches can be used to address relevant questions about P2X receptors.

Structural insight into the binding interactions of modeled structure of Arabidopsis thaliana urease with urea: an in silico study.

Science.gov (United States)

Yata, Vinod Kumar; Thapa, Arun; Mattaparthi, Venkata Satish Kumar

2015-01-01

Urease (EC 3.5.1.5., urea amidohydrolase) catalyzes the hydrolysis of urea to ammonia and carbon dioxide. Urease is present to a greater abundance in plants and plays significant role related to nitrogen recycling from urea. But little is known about the structure and function of the urease derived from the Arabidopsis thaliana, the model system of choice for research in plant biology. In this study, a three-dimensional structural model of A. thaliana urease was constructed using computer-aided molecular modeling technique. The characteristic structural features of the modeled structure were then studied using atomistic molecular dynamics simulation. It was observed that the modeled structure was stable and regions between residues index (50-80, 500-700) to be significantly flexible. From the docking studies, we detected the possible binding interactions of modeled urease with urea. Ala399, Ile675, Thr398, and Thr679 residues of A. thaliana urease were observed to be significantly involved in binding with the substrate urea. We also compared the docking studies of ureases from other sources such as Canavalia ensiformis, Helicobacter pylori, and Bacillus pasteurii. In addition, we carried out mutation analysis to find the highly mutable amino acid residues of modeled A. thaliana urease. In this particular study, we observed Met485, Tyr510, Ser786, Val426, and Lys765 to be highly mutable amino acids. These results are significant for the mutagenesis analysis. As a whole, this study expounds the salient structural features as well the binding interactions of the modeled structure of A. thaliana urease.

Modeling Complex Nesting Structures in International Business Research

DEFF Research Database (Denmark)

Nielsen, Bo Bernhard; Nielsen, Sabina

2013-01-01

hierarchical random coefficient models (RCM) are often used for the analysis of multilevel phenomena, IB issues often result in more complex nested structures. This paper illustrates how cross-nested multilevel modeling allowing for predictor variables and cross-level interactions at multiple (crossed) levels...

Building alternate protein structures using the elastic network model.

Science.gov (United States)

Yang, Qingyi; Sharp, Kim A

2009-02-15

We describe a method for efficiently generating ensembles of alternate, all-atom protein structures that (a) differ significantly from the starting structure, (b) have good stereochemistry (bonded geometry), and (c) have good steric properties (absence of atomic overlap). The method uses reconstruction from a series of backbone framework structures that are obtained from a modified elastic network model (ENM) by perturbation along low-frequency normal modes. To ensure good quality backbone frameworks, the single force parameter ENM is modified by introducing two more force parameters to characterize the interaction between the consecutive carbon alphas and those within the same secondary structure domain. The relative stiffness of the three parameters is parameterized to reproduce B-factors, while maintaining good bonded geometry. After parameterization, violations of experimental Calpha-Calpha distances and Calpha-Calpha-Calpha pseudo angles along the backbone are reduced to less than 1%. Simultaneously, the average B-factor correlation coefficient improves to R = 0.77. Two applications illustrate the potential of the approach. (1) 102,051 protein backbones spanning a conformational space of 15 A root mean square deviation were generated from 148 nonredundant proteins in the PDB database, and all-atom models with minimal bonded and nonbonded violations were produced from this ensemble of backbone structures using the SCWRL side chain building program. (2) Improved backbone templates for homology modeling. Fifteen query sequences were each modeled on two targets. For each of the 30 target frameworks, dozens of improved templates could be produced In all cases, improved full atom homology models resulted, of which 50% could be identified blind using the D-Fire statistical potential. (c) 2008 Wiley-Liss, Inc.

Sensitivity of system stability to model structure

Science.gov (United States)

Hosack, G.R.; Li, H.W.; Rossignol, P.A.

2009-01-01

A community is stable, and resilient, if the levels of all community variables can return to the original steady state following a perturbation. The stability properties of a community depend on its structure, which is the network of direct effects (interactions) among the variables within the community. These direct effects form feedback cycles (loops) that determine community stability. Although feedback cycles have an intuitive interpretation, identifying how they form the feedback properties of a particular community can be intractable. Furthermore, determining the role that any specific direct effect plays in the stability of a system is even more daunting. Such information, however, would identify important direct effects for targeted experimental and management manipulation even in complex communities for which quantitative information is lacking. We therefore provide a method that determines the sensitivity of community stability to model structure, and identifies the relative role of particular direct effects, indirect effects, and feedback cycles in determining stability. Structural sensitivities summarize the degree to which each direct effect contributes to stabilizing feedback or destabilizing feedback or both. Structural sensitivities prove useful in identifying ecologically important feedback cycles within the community structure and for detecting direct effects that have strong, or weak, influences on community stability. The approach may guide the development of management intervention and research design. We demonstrate its value with two theoretical models and two empirical examples of different levels of complexity. ?? 2009 Elsevier B.V. All rights reserved.

A Structural Equation Modeling Analysis of Influences on Juvenile Delinquency

Science.gov (United States)

Barrett, David E.; Katsiyannis, Antonis; Zhang, Dalun; Zhang, Dake

2014-01-01

This study examined influences on delinquency and recidivism using structural equation modeling. The sample comprised 199,204 individuals: 99,602 youth whose cases had been processed by the South Carolina Department of Juvenile Justice and a matched control group of 99,602 youth without juvenile records. Structural equation modeling for the…

Scale modeling of reinforced concrete structures subjected to seismic loading

International Nuclear Information System (INIS)

Dove, R.C.

1983-01-01

Reinforced concrete, Category I structures are so large that the possibility of seismicly testing the prototype structures under controlled conditions is essentially nonexistent. However, experimental data, from which important structural properties can be determined and existing and new methods of seismic analysis benchmarked, are badly needed. As a result, seismic experiments on scaled models are of considerable interest. In this paper, the scaling laws are developed in some detail so that assumptions and choices based on judgement can be clearly recognized and their effects discussed. The scaling laws developed are then used to design a reinforced concrete model of a Category I structure. Finally, how scaling is effected by various types of damping (viscous, structural, and Coulomb) is discussed

Observations and Modeling of Atmospheric Radiance Structure

National Research Council Canada - National Science Library

Wintersteiner, Peter

2001-01-01

The overall purpose of the work that we have undertaken is to provide new capabilities for observing and modeling structured radiance in the atmosphere, particularly the non-LTE regions of the atmosphere...

Design and Modeling of Structural Joints in Precast Concrete Structures

DEFF Research Database (Denmark)

Sørensen, Jesper Harrild

and in the onsite construction speed. The challenges appear in the on-site assembly phase, where structural integrity has to be ensured by in-situ cast connections in narrow zones. These connections are essential for the overall structural behavior and for this reason, strong and ductile connections...... is the orientation of the U-bar loops and the use of a double T-headed rebar in the overlapping area of the Ubars. The investigation covers several independent research topics, which in combination provides a broad knowledge of the behavior of keyed shear connections. As the first topic, the structural behavior...... the loop connection in such a way, that the tensile capacity is governed by yielding of the U-bars and not by a brittle failure of the grout. This is important in order to obtain a ductile response when the connection is loaded in shear. The main focus of the thesis is test and modeling of keyed shear...

Identify High-Quality Protein Structural Models by Enhanced K-Means.

Science.gov (United States)

Wu, Hongjie; Li, Haiou; Jiang, Min; Chen, Cheng; Lv, Qiang; Wu, Chuang

2017-01-01

Background. One critical issue in protein three-dimensional structure prediction using either ab initio or comparative modeling involves identification of high-quality protein structural models from generated decoys. Currently, clustering algorithms are widely used to identify near-native models; however, their performance is dependent upon different conformational decoys, and, for some algorithms, the accuracy declines when the decoy population increases. Results. Here, we proposed two enhanced K -means clustering algorithms capable of robustly identifying high-quality protein structural models. The first one employs the clustering algorithm SPICKER to determine the initial centroids for basic K -means clustering ( SK -means), whereas the other employs squared distance to optimize the initial centroids ( K -means++). Our results showed that SK -means and K -means++ were more robust as compared with SPICKER alone, detecting 33 (59%) and 42 (75%) of 56 targets, respectively, with template modeling scores better than or equal to those of SPICKER. Conclusions. We observed that the classic K -means algorithm showed a similar performance to that of SPICKER, which is a widely used algorithm for protein-structure identification. Both SK -means and K -means++ demonstrated substantial improvements relative to results from SPICKER and classical K -means.

The need for revaluation of the model structure for electricity liberalization

OpenAIRE

Szablewski, Andrzej T.

2011-01-01

The question about an appropriate structure for the electricity industry has been extensively discussed in scientific literature and experts studies. Since the beginning of electricity liberalization, it was apparent for its promoters that such a structure (in this paper referred to as the model structure or ideal structural model) for the electricity sector should involve a separation of its four sub-sectors, i.e., generation, transmission, distribution, and supply. With the e...

Numerical equilibrium analysis for structured consumer resource models

NARCIS (Netherlands)

de Roos, A.M.; Diekmann, O.; Getto, P.; Kirkilionis, M.A.

2010-01-01

In this paper, we present methods for a numerical equilibrium and stability analysis for models of a size structured population competing for an unstructured re- source. We concentrate on cases where two model parameters are free, and thus existence boundaries for equilibria and stability boundaries

Numerical equilibrium analysis for structured consumer resource models

NARCIS (Netherlands)

de Roos, A.M.; Diekmann, O.; Getto, P.; Kirkilionis, M.A.

2010-01-01

In this paper, we present methods for a numerical equilibrium and stability analysis for models of a size structured population competing for an unstructured resource. We concentrate on cases where two model parameters are free, and thus existence boundaries for equilibria and stability boundaries

From intuition to statistics in building subsurface structural models

Science.gov (United States)

Brandenburg, J.P.; Alpak, F.O.; Naruk, S.; Solum, J.

2011-01-01

Experts associated with the oil and gas exploration industry suggest that combining forward trishear models with stochastic global optimization algorithms allows a quantitative assessment of the uncertainty associated with a given structural model. The methodology is applied to incompletely imaged structures related to deepwater hydrocarbon reservoirs and results are compared to prior manual palinspastic restorations and borehole data. This methodology is also useful for extending structural interpretations into other areas of limited resolution, such as subsalt in addition to extrapolating existing data into seismic data gaps. This technique can be used for rapid reservoir appraisal and potentially have other applications for seismic processing, well planning, and borehole stability analysis.

Strained spiral vortex model for turbulent fine structure

Science.gov (United States)

Lundgren, T. S.

1982-01-01

A model for the intermittent fine structure of high Reynolds number turbulence is proposed. The model consists of slender axially strained spiral vortex solutions of the Navier-Stokes equation. The tightening of the spiral turns by the differential rotation of the induced swirling velocity produces a cascade of velocity fluctuations to smaller scale. The Kolmogorov energy spectrum is a result of this model.

Functional Coverage of the Human Genome by Existing Structures, Structural Genomics Targets, and Homology Models.

Directory of Open Access Journals (Sweden)

2005-08-01

Full Text Available The bias in protein structure and function space resulting from experimental limitations and targeting of particular functional classes of proteins by structural biologists has long been recognized, but never continuously quantified. Using the Enzyme Commission and the Gene Ontology classifications as a reference frame, and integrating structure data from the Protein Data Bank (PDB, target sequences from the structural genomics projects, structure homology derived from the SUPERFAMILY database, and genome annotations from Ensembl and NCBI, we provide a quantified view, both at the domain and whole-protein levels, of the current and projected coverage of protein structure and function space relative to the human genome. Protein structures currently provide at least one domain that covers 37% of the functional classes identified in the genome; whole structure coverage exists for 25% of the genome. If all the structural genomics targets were solved (twice the current number of structures in the PDB, it is estimated that structures of one domain would cover 69% of the functional classes identified and complete structure coverage would be 44%. Homology models from existing experimental structures extend the 37% coverage to 56% of the genome as single domains and 25% to 31% for complete structures. Coverage from homology models is not evenly distributed by protein family, reflecting differing degrees of sequence and structure divergence within families. While these data provide coverage, conversely, they also systematically highlight functional classes of proteins for which structures should be determined. Current key functional families without structure representation are highlighted here; updated information on the "most wanted list" that should be solved is available on a weekly basis from http://function.rcsb.org:8080/pdb/function_distribution/index.html.

Modeling of serial data acquisition structure for GEM detector system in Matlab

Science.gov (United States)

Kolasinski, Piotr; Pozniak, Krzysztof T.; Czarski, Tomasz; Chernyshova, Maryna; Kasprowicz, Grzegorz; Krawczyk, Rafal D.; Wojenski, Andrzej; Zabolotny, Wojciech; Byszuk, Adrian

2016-09-01

This article presents method of modeling in Matlab hardware architecture dedicated for FPGA created by languages like VHDL or Verilog. Purposes of creating such type of model with its advantages and disadvantages are described. Rules presented in this article were exploited to create model of Serial Data Acquisition algorithm used in X-ray GEM detector system. Result were compared to real working model implemented in VHDL. After testing of basic structure, other two structures were modeled to see influence parameters of the structure on its behavior.

A Self-Assisting Protein Folding Model for Teaching Structural Molecular Biology.

Science.gov (United States)

Davenport, Jodi; Pique, Michael; Getzoff, Elizabeth; Huntoon, Jon; Gardner, Adam; Olson, Arthur

2017-04-04

Structural molecular biology is now becoming part of high school science curriculum thus posing a challenge for teachers who need to convey three-dimensional (3D) structures with conventional text and pictures. In many cases even interactive computer graphics does not go far enough to address these challenges. We have developed a flexible model of the polypeptide backbone using 3D printing technology. With this model we have produced a polypeptide assembly kit to create an idealized model of the Triosephosphate isomerase mutase enzyme (TIM), which forms a structure known as TIM barrel. This kit has been used in a laboratory practical where students perform a step-by-step investigation into the nature of protein folding, starting with the handedness of amino acids to the formation of secondary and tertiary structure. Based on the classroom evidence we collected, we conclude that these models are valuable and inexpensive resource for teaching structural molecular biology. Copyright © 2017 Elsevier Ltd. All rights reserved.

Investigating Coherent Structures in the Standard Turbulence Models using Proper Orthogonal Decomposition

International Nuclear Information System (INIS)

Eliassen, Lene; Andersen, Søren

2016-01-01

The wind turbine design standards recommend two different methods to generate turbulent wind for design load analysis, the Kaimal spectra combined with an exponential coherence function and the Mann turbulence model. The two turbulence models can give very different estimates of fatigue life, especially for offshore floating wind turbines. In this study the spatial distributions of the two turbulence models are investigated using Proper Orthogonal Decomposition, which is used to characterize large coherent structures. The main focus has been on the structures that contain the most energy, which are the lowest POD modes. The Mann turbulence model generates coherent structures that stretches in the horizontal direction for the longitudinal component, while the structures found in the Kaimal model are more random in their shape. These differences in the coherent structures at lower frequencies for the two turbulence models can be the reason for differences in fatigue life estimates for wind turbines. (paper)

Predicting Protein Secondary Structure with Markov Models

DEFF Research Database (Denmark)

Fischer, Paul; Larsen, Simon; Thomsen, Claus

2004-01-01

we are considering here, is to predict the secondary structure from the primary one. To this end we train a Markov model on training data and then use it to classify parts of unknown protein sequences as sheets, helices or coils. We show how to exploit the directional information contained...... in the Markov model for this task. Classifications that are purely based on statistical models might not always be biologically meaningful. We present combinatorial methods to incorporate biological background knowledge to enhance the prediction performance....

Analytical study on model tests of soil-structure interaction

International Nuclear Information System (INIS)

Odajima, M.; Suzuki, S.; Akino, K.

1987-01-01

Since nuclear power plant (NPP) structures are stiff, heavy and partly-embedded, the behavior of those structures during an earthquake depends on the vibrational characteristics of not only the structure but also the soil. Accordingly, seismic response analyses considering the effects of soil-structure interaction (SSI) are extremely important for seismic design of NPP structures. Many studies have been conducted on analytical techniques concerning SSI and various analytical models and approaches have been proposed. Based on the studies, SSI analytical codes (computer programs) for NPP structures have been improved at JINS (Japan Institute of Nuclear Safety), one of the departments of NUPEC (Nuclear Power Engineering Test Center) in Japan. These codes are soil-spring lumped-mass code (SANLUM), finite element code (SANSSI), thin layered element code (SANSOL). In proceeding with the improvement of the analytical codes, in-situ large-scale forced vibration SSI tests were performed using models simulating light water reactor buildings, and simulation analyses were performed to verify the codes. This paper presents an analytical study to demonstrate the usefulness of the codes

Discretization model for nonlinear dynamic analysis of three dimensional structures

International Nuclear Information System (INIS)

Hayashi, Y.

1982-12-01

A discretization model for nonlinear dynamic analysis of three dimensional structures is presented. The discretization is achieved through a three dimensional spring-mass system and the dynamic response obtained by direct integration of the equations of motion using central diferences. First the viability of the model is verified through the analysis of homogeneous linear structures and then its performance in the analysis of structures subjected to impulsive or impact loads, taking into account both geometrical and physical nonlinearities is evaluated. (Author) [pt

Modal Identification of A Tested Steel Frame using Linear ARX Model Structure

Directory of Open Access Journals (Sweden)

Yavuz Kaya

2009-07-01

Full Text Available This study contains the identification of modal dynamic properties of a 3-story large-scale steel test frame structure through shaking table measurements. Shaking table test is carried out to estimate the modal properties of the test frame such as natural frequencies, damping ratios and mode shapes. Among many different model structures, ARX (Auto Recursive Exogenous model structure is used for modal identification of the frame structure system. The unknown parameters in the obtained ARX model structure are estimated by Least-Square method by minimizing the AIC criteria with the help of a program coded in advanced computing software MATLAB®. The adopted model structure is then tested out in time domain to verify the validity of the model with the selected model parameters. Then the modal characteristics of test frame and the story stiffness are estimated using the white noise shakings. An attempt is done to determine the change of modal characteristics and the story stiffness of test frame according to the velocity, which the test frame structure experienced during the shaking schedule and also during the input shaking of El Centro 1940 NS. Results shows that there is an increase in damping ratio and a decrease in both story stiffness and natural frequency for all modes when the damage forms at cementitious device and the test frame structure itself during the shaking schedule.

The necessity of connection structures in neural models of variable binding.

Science.gov (United States)

van der Velde, Frank; de Kamps, Marc

2015-08-01

In his review of neural binding problems, Feldman (Cogn Neurodyn 7:1-11, 2013) addressed two types of models as solutions of (novel) variable binding. The one type uses labels such as phase synchrony of activation. The other ('connectivity based') type uses dedicated connections structures to achieve novel variable binding. Feldman argued that label (synchrony) based models are the only possible candidates to handle novel variable binding, whereas connectivity based models lack the flexibility required for that. We argue and illustrate that Feldman's analysis is incorrect. Contrary to his conclusion, connectivity based models are the only viable candidates for models of novel variable binding because they are the only type of models that can produce behavior. We will show that the label (synchrony) based models analyzed by Feldman are in fact examples of connectivity based models. Feldman's analysis that novel variable binding can be achieved without existing connection structures seems to result from analyzing the binding problem in a wrong frame of reference, in particular in an outside instead of the required inside frame of reference. Connectivity based models can be models of novel variable binding when they possess a connection structure that resembles a small-world network, as found in the brain. We will illustrate binding with this type of model with episode binding and the binding of words, including novel words, in sentence structures.

A Structural Equation Approach to Models with Spatial Dependence

NARCIS (Netherlands)

Oud, Johan H. L.; Folmer, Henk

We introduce the class of structural equation models (SEMs) and corresponding estimation procedures into a spatial dependence framework. SEM allows both latent and observed variables within one and the same (causal) model. Compared with models with observed variables only, this feature makes it

A structural equation approach to models with spatial dependence

NARCIS (Netherlands)

Oud, J.H.L.; Folmer, H.

2008-01-01

We introduce the class of structural equation models (SEMs) and corresponding estimation procedures into a spatial dependence framework. SEM allows both latent and observed variables within one and the same (causal) model. Compared with models with observed variables only, this feature makes it

A Structural Equation Approach to Models with Spatial Dependence

NARCIS (Netherlands)

Oud, J.H.L.; Folmer, H.

2008-01-01

We introduce the class of structural equation models (SEMs) and corresponding estimation procedures into a spatial dependence framework. SEM allows both latent and observed variables within one and the same (causal) model. Compared with models with observed variables only, this feature makes it

Reuse-oriented common structure discovery in assembly models

Energy Technology Data Exchange (ETDEWEB)

Wang, Pan; Zhang Jie; Li, Yuan; Yu, Jian Feng [The Ministry of Education Key Lab of Contemporary Design and Integrated Manufacturing Technology, Northwestern Polytechnical University, Xian (China)

2017-01-15

Discovering the common structures in assembly models provides designers with the commonalities that carry significant design knowledge across multiple products, which helps to improve design efficiency and accelerate the design process. In this paper, a discovery method has been developed to obtain the common structure in assembly models. First, this work proposes a graph descriptor that captures both the geometrical and topological information of the assembly model, in which shape vectors and link vectors quantitatively describe the part models and mating relationships, respectively. Then, a clustering step is introduced into the discovery, which clusters the similar parts by comparing the similarities between them. In addition, some rules are also provided to filter the frequent subgraphs in order to obtain the expected results. Compared with the existing method, the proposed approach could overcome the disadvantages by providing an independent description of the part model and taking into consideration the similar parts in assemblies, which leads to a more reasonable result. Finally, some experiments have been carried out and the experimental results demonstrate the effectiveness of the proposed approach.

Reuse-oriented common structure discovery in assembly models

International Nuclear Information System (INIS)

Wang, Pan; Zhang Jie; Li, Yuan; Yu, Jian Feng

2017-01-01

Discovering the common structures in assembly models provides designers with the commonalities that carry significant design knowledge across multiple products, which helps to improve design efficiency and accelerate the design process. In this paper, a discovery method has been developed to obtain the common structure in assembly models. First, this work proposes a graph descriptor that captures both the geometrical and topological information of the assembly model, in which shape vectors and link vectors quantitatively describe the part models and mating relationships, respectively. Then, a clustering step is introduced into the discovery, which clusters the similar parts by comparing the similarities between them. In addition, some rules are also provided to filter the frequent subgraphs in order to obtain the expected results. Compared with the existing method, the proposed approach could overcome the disadvantages by providing an independent description of the part model and taking into consideration the similar parts in assemblies, which leads to a more reasonable result. Finally, some experiments have been carried out and the experimental results demonstrate the effectiveness of the proposed approach

Assessing Exhaustiveness of Stochastic Sampling for Integrative Modeling of Macromolecular Structures.

Science.gov (United States)

Viswanath, Shruthi; Chemmama, Ilan E; Cimermancic, Peter; Sali, Andrej

2017-12-05

Modeling of macromolecular structures involves structural sampling guided by a scoring function, resulting in an ensemble of good-scoring models. By necessity, the sampling is often stochastic, and must be exhaustive at a precision sufficient for accurate modeling and assessment of model uncertainty. Therefore, the very first step in analyzing the ensemble is an estimation of the highest precision at which the sampling is exhaustive. Here, we present an objective and automated method for this task. As a proxy for sampling exhaustiveness, we evaluate whether two independently and stochastically generated sets of models are sufficiently similar. The protocol includes testing 1) convergence of the model score, 2) whether model scores for the two samples were drawn from the same parent distribution, 3) whether each structural cluster includes models from each sample proportionally to its size, and 4) whether there is sufficient structural similarity between the two model samples in each cluster. The evaluation also provides the sampling precision, defined as the smallest clustering threshold that satisfies the third, most stringent test. We validate the protocol with the aid of enumerated good-scoring models for five illustrative cases of binary protein complexes. Passing the proposed four tests is necessary, but not sufficient for thorough sampling. The protocol is general in nature and can be applied to the stochastic sampling of any set of models, not just structural models. In addition, the tests can be used to stop stochastic sampling as soon as exhaustiveness at desired precision is reached, thereby improving sampling efficiency; they may also help in selecting a model representation that is sufficiently detailed to be informative, yet also sufficiently coarse for sampling to be exhaustive. Copyright © 2017 Biophysical Society. Published by Elsevier Inc. All rights reserved.

Examination of arrangement of alloy structural elements in models of metallographic structures

International Nuclear Information System (INIS)

Radwan, M.; Gibas, K.; Lybacka, K.; Narbantowicz, E.

1986-01-01

To verify the structure description method taking the probability of component concentration distributions in alloys into account, it is necessary to answer the following question: do the geometrical shapes of component arrangement which are visible on the autoradiographs as dark spots determine the type and parameters of the probability distribution. To solve the problem, 14 autoradiographic models representing different shapes of labelled compounds have been prepared and measured. The results show that different structures have a different distribution of the same element

Seismic assessment and performance of nonstructural components affected by structural modeling

Energy Technology Data Exchange (ETDEWEB)

Hur, Jieun; Althoff, Eric; Sezen, Halil; Denning, Richard; Aldemir, Tunc [Ohio State University, Columbus (United States)

2017-03-15

Seismic probabilistic risk assessment (SPRA) requires a large number of simulations to evaluate the seismic vulnerability of structural and nonstructural components in nuclear power plants. The effect of structural modeling and analysis assumptions on dynamic analysis of 3D and simplified 2D stick models of auxiliary buildings and the attached nonstructural components is investigated. Dynamic characteristics and seismic performance of building models are also evaluated, as well as the computational accuracy of the models. The presented results provide a better understanding of the dynamic behavior and seismic performance of auxiliary buildings. The results also help to quantify the impact of uncertainties associated with modeling and analysis of simplified numerical models of structural and nonstructural components subjected to seismic shaking on the predicted seismic failure probabilities of these systems.

Action detection by double hierarchical multi-structure space-time statistical matching model

Science.gov (United States)

Han, Jing; Zhu, Junwei; Cui, Yiyin; Bai, Lianfa; Yue, Jiang

2018-03-01

Aimed at the complex information in videos and low detection efficiency, an actions detection model based on neighboring Gaussian structure and 3D LARK features is put forward. We exploit a double hierarchical multi-structure space-time statistical matching model (DMSM) in temporal action localization. First, a neighboring Gaussian structure is presented to describe the multi-scale structural relationship. Then, a space-time statistical matching method is proposed to achieve two similarity matrices on both large and small scales, which combines double hierarchical structural constraints in model by both the neighboring Gaussian structure and the 3D LARK local structure. Finally, the double hierarchical similarity is fused and analyzed to detect actions. Besides, the multi-scale composite template extends the model application into multi-view. Experimental results of DMSM on the complex visual tracker benchmark data sets and THUMOS 2014 data sets show the promising performance. Compared with other state-of-the-art algorithm, DMSM achieves superior performances.

Near-field soil-structure interaction analysis using nonlinear hybrid modeling

International Nuclear Information System (INIS)

Katayama, I.; Chen, C.; Lee, Y.J.; Jean, W.Y.; Penzien, J.

1989-01-01

The hybrid modeling method (Gupta and Penzien 1980) and associated analysis procedure for solving a three-dimensional soil-structure interaction problem was developed by Gupta and Penzien (1981) and Gupta et al.(1982). Subsequently, successive modifications have been made to the original modeling method and analysis procedure allowing more general treatment of the SSI problem (Penzien, 1988). Through many correlation studies of field test data obtained under forced-vibration and earthquake-excitation conditions, it has been shown that the HASSI programs can effectively predict the dynamic response of a soil-structure system, if realistic soil parameters are adopted. In the above, the entire structure-foundation system is considered to respond in a linear fashion. Since the reflected three-dimensional waves at the soil-structure interface decays very rapidly with distance away from the structure (Katayama, 1987 (a)), the response of the soil close to the base of the structure may greatly affect its response; therefore, proper modeling of the non-linear soil behavior characteristic is essential. The nonlinear behavior of near-field soil has been taken into consideration in HASSI-7 by the standard equivalent linearization procedures used in programs SHAKE and FLUSH

Quantitative structure-activation barrier relationship modeling for Diels-Alder ligations utilizing quantum chemical structural descriptors.

Science.gov (United States)

Nandi, Sisir; Monesi, Alessandro; Drgan, Viktor; Merzel, Franci; Novič, Marjana

2013-10-30

In the present study, we show the correlation of quantum chemical structural descriptors with the activation barriers of the Diels-Alder ligations. A set of 72 non-catalysed Diels-Alder reactions were subjected to quantitative structure-activation barrier relationship (QSABR) under the framework of theoretical quantum chemical descriptors calculated solely from the structures of diene and dienophile reactants. Experimental activation barrier data were obtained from literature. Descriptors were computed using Hartree-Fock theory using 6-31G(d) basis set as implemented in Gaussian 09 software. Variable selection and model development were carried out by stepwise multiple linear regression methodology. Predictive performance of the quantitative structure-activation barrier relationship (QSABR) model was assessed by training and test set concept and by calculating leave-one-out cross-validated Q2 and predictive R2 values. The QSABR model can explain and predict 86.5% and 80% of the variances, respectively, in the activation energy barrier training data. Alternatively, a neural network model based on back propagation of errors was developed to assess the nonlinearity of the sought correlations between theoretical descriptors and experimental reaction barriers. A reasonable predictability for the activation barrier of the test set reactions was obtained, which enabled an exploration and interpretation of the significant variables responsible for Diels-Alder interaction between dienes and dienophiles. Thus, studies in the direction of QSABR modelling that provide efficient and fast prediction of activation barriers of the Diels-Alder reactions turn out to be a meaningful alternative to transition state theory based computation.

Multi-metric model-based structural health monitoring

Science.gov (United States)

Jo, Hongki; Spencer, B. F.

2014-04-01

ABSTRACT The inspection and maintenance of bridges of all types is critical to the public safety and often critical to the economy of a region. Recent advanced sensor technologies provide accurate and easy-to-deploy means for structural health monitoring and, if the critical locations are known a priori, can be monitored by direct measurements. However, for today's complex civil infrastructure, the critical locations are numerous and often difficult to identify. This paper presents an innovative framework for structural monitoring at arbitrary locations on the structure combining computational models and limited physical sensor information. The use of multi-metric measurements is advocated to improve the accuracy of the approach. A numerical example is provided to illustrate the proposed hybrid monitoring framework, particularly focusing on fatigue life assessment of steel structures.

Compare local pocket and global protein structure models by small structure patterns

KAUST Repository

Cui, Xuefeng

2015-09-09

Researchers proposed several criteria to assess the quality of predicted protein structures because it is one of the essential tasks in the Critical Assessment of Techniques for Protein Structure Prediction (CASP) competitions. Popular criteria include root mean squared deviation (RMSD), MaxSub score, TM-score, GDT-TS and GDT-HA scores. All these criteria require calculation of rigid transformations to superimpose the the predicted protein structure to the native protein structure. Yet, how to obtain the rigid transformations is unknown or with high time complexity, and, hence, heuristic algorithms were proposed. In this work, we carefully design various small structure patterns, including the ones specifically tuned for local pockets. Such structure patterns are biologically meaningful, and address the issue of relying on a sufficient number of backbone residue fragments for existing methods. We sample the rigid transformations from these small structure patterns; and the optimal superpositions yield by these small structures are refined and reported. As a result, among 11; 669 pairs of predicted and native local protein pocket models from the CASP10 dataset, the GDT-TS scores calculated by our method are significantly higher than those calculated by LGA. Moreover, our program is computationally much more efficient. Source codes and executables are publicly available at http://www.cbrc.kaust.edu.sa/prosta/

Meta-analytic structural equation modelling

CERN Document Server

Jak, Suzanne

2015-01-01

This book explains how to employ MASEM, the combination of meta-analysis (MA) and structural equation modelling (SEM). It shows how by using MASEM, a single model can be tested to explain the relationships between a set of variables in several studies. This book gives an introduction to MASEM, with a focus on the state of the art approach: the two stage approach of Cheung and Cheung & Chan. Both, the fixed and the random approach to MASEM are illustrated with two applications to real data. All steps that have to be taken to perform the analyses are discussed extensively. All data and syntax files are available online, so that readers can imitate all analyses. By using SEM for meta-analysis, this book shows how to benefit from all available information from all available studies, even if few or none of the studies report about all relationships that feature in the full model of interest.

Structure model of energy efficiency indicators and applications

International Nuclear Information System (INIS)

Wu, Li-Ming; Chen, Bai-Sheng; Bor, Yun-Chang; Wu, Yin-Chin

2007-01-01

For the purposes of energy conservation and environmental protection, the government of Taiwan has instigated long-term policies to continuously encourage and assist industry in improving the efficiency of energy utilization. While multiple actions have led to practical energy saving to a limited extent, no strong evidence of improvement in energy efficiency was observed from the energy efficiency indicators (EEI) system, according to the annual national energy statistics and survey. A structural analysis of EEI is needed in order to understand the role that energy efficiency plays in the EEI system. This work uses the Taylor series expansion to develop a structure model for EEI at the level of the process sector of industry. The model is developed on the premise that the design parameters of the process are used in comparison with the operational parameters for energy differences. The utilization index of production capability and the variation index of energy utilization are formulated in the model to describe the differences between EEIs. Both qualitative and quantitative methods for the analysis of energy efficiency and energy savings are derived from the model. Through structural analysis, the model showed that, while the performance of EEI is proportional to the process utilization index of production capability, it is possible that energy may develop in a direction opposite to that of EEI. This helps to explain, at least in part, the inconsistency between EEI and energy savings. An energy-intensive steel plant in Taiwan was selected to show the application of the model. The energy utilization efficiency of the plant was evaluated and the amount of energy that had been saved or over-used in the production process was estimated. Some insights gained from the model outcomes are helpful to further enhance energy efficiency in the plant

Algebraic Modeling of Topological and Computational Structures and Applications

CERN Document Server

Theodorou, Doros; Stefaneas, Petros; Kauffman, Louis

2017-01-01

This interdisciplinary book covers a wide range of subjects, from pure mathematics (knots, braids, homotopy theory, number theory) to more applied mathematics (cryptography, algebraic specification of algorithms, dynamical systems) and concrete applications (modeling of polymers and ionic liquids, video, music and medical imaging). The main mathematical focus throughout the book is on algebraic modeling with particular emphasis on braid groups. The research methods include algebraic modeling using topological structures, such as knots, 3-manifolds, classical homotopy groups, and braid groups. The applications address the simulation of polymer chains and ionic liquids, as well as the modeling of natural phenomena via topological surgery. The treatment of computational structures, including finite fields and cryptography, focuses on the development of novel techniques. These techniques can be applied to the design of algebraic specifications for systems modeling and verification. This book is the outcome of a w...

RNA secondary structure prediction with pseudoknots: Contribution of algorithm versus energy model.

Science.gov (United States)

Jabbari, Hosna; Wark, Ian; Montemagno, Carlo

2018-01-01

RNA is a biopolymer with various applications inside the cell and in biotechnology. Structure of an RNA molecule mainly determines its function and is essential to guide nanostructure design. Since experimental structure determination is time-consuming and expensive, accurate computational prediction of RNA structure is of great importance. Prediction of RNA secondary structure is relatively simpler than its tertiary structure and provides information about its tertiary structure, therefore, RNA secondary structure prediction has received attention in the past decades. Numerous methods with different folding approaches have been developed for RNA secondary structure prediction. While methods for prediction of RNA pseudoknot-free structure (structures with no crossing base pairs) have greatly improved in terms of their accuracy, methods for prediction of RNA pseudoknotted secondary structure (structures with crossing base pairs) still have room for improvement. A long-standing question for improving the prediction accuracy of RNA pseudoknotted secondary structure is whether to focus on the prediction algorithm or the underlying energy model, as there is a trade-off on computational cost of the prediction algorithm versus the generality of the method. The aim of this work is to argue when comparing different methods for RNA pseudoknotted structure prediction, the combination of algorithm and energy model should be considered and a method should not be considered superior or inferior to others if they do not use the same scoring model. We demonstrate that while the folding approach is important in structure prediction, it is not the only important factor in prediction accuracy of a given method as the underlying energy model is also as of great value. Therefore we encourage researchers to pay particular attention in comparing methods with different energy models.

NCACO-score: An effective main-chain dependent scoring function for structure modeling

Directory of Open Access Journals (Sweden)

Dong Xiaoxi

2011-05-01

Full Text Available Abstract Background Development of effective scoring functions is a critical component to the success of protein structure modeling. Previously, many efforts have been dedicated to the development of scoring functions. Despite these efforts, development of an effective scoring function that can achieve both good accuracy and fast speed still presents a grand challenge. Results Based on a coarse-grained representation of a protein structure by using only four main-chain atoms: N, Cα, C and O, we develop a knowledge-based scoring function, called NCACO-score, that integrates different structural information to rapidly model protein structure from sequence. In testing on the Decoys'R'Us sets, we found that NCACO-score can effectively recognize native conformers from their decoys. Furthermore, we demonstrate that NCACO-score can effectively guide fragment assembly for protein structure prediction, which has achieved a good performance in building the structure models for hard targets from CASP8 in terms of both accuracy and speed. Conclusions Although NCACO-score is developed based on a coarse-grained model, it is able to discriminate native conformers from decoy conformers with high accuracy. NCACO is a very effective scoring function for structure modeling.

Study on dynamic characteristics of reduced analytical model for PWR reactor internal structures

International Nuclear Information System (INIS)

Yoo, Bong; Lee, Jae Han; Kim, Jong Bum; Koo, Kyeong Hoe

1993-01-01

The objective of this study is to establish the procedure of the reduced analytical modeling technique for the PWR reactor internal(RI) structures and to carry out the sensitivity study of the dynamic characteristics of the structures by varying the structural parameters such as the stiffness, the mass and the damping. Modeling techniques for the PWR reactor internal structures and computer programs used for the dynamic analysis of the reactor internal structures are briefly investigated. Among the many components of RI structures, the dynamic characteristics for CSB was performed. The sensitivity analysis of the dynamic characteristics for the reduced analytical model considering the variations of the stiffnesses for the lower and upper flanges of the CSB and for the RV Snubber were performed to improve the dynamic characteristics of the RI structures against the external loadings given. In order to enhance the structural design margin of the RI components, the nonlinear time history analyses were attempted for the RI reduced models to compare the structural responses between the reference model and the modified one. (Author)

Global plastic models for computerized structural analysis

International Nuclear Information System (INIS)

Roche, R.L.; Hoffmann, A.

1977-01-01

In many types of structures, it is possible to use generalized stresses (like membrane forces, bending moment, torsion moment...) to define a yield surface for a part of the structure. Analysis can be achieved by using the HILL's principle and a hardening rule. The whole formulation is said 'Global Plastic Model'. Two different global models are used in the CEASEMT system for structural analysis, one for shell analysis and the other for piping analysis (in plastic or creep field). In shell analysis the generalized stresses chosen are the membrane forces and bending (including torsion) moments. There is only one yield condition for a normal to the middle surface and no integration along the thickness is required. In piping analysis, the choice of generalized stresses is bending moments, torsional moment, hoop stress and tension stress. There is only a set of stresses for a cross section and no integration over the cross section area is needed. Connected strains are axis curvature, torsion, uniform strains. The definition of the yield surface is the most important item. A practical way is to use a diagonal quadratic function of the stress components. But the coefficients are depending of the shape of the pipe element, especially for curved segments. Indications will be given on the yield functions used. Some examples of applications in structural analysis are added to the text

The Structured Intuitive Model for Product Line Economics (SIMPLE)

National Research Council Canada - National Science Library

Clements, Paul C; McGregor, John D; Cohen, Sholom G

2005-01-01

.... This report presents the Structured Intuitive Model of Product Line Economics (SIMPLE), a general-purpose business model that supports the estimation of the costs and benefits in a product line development organization...

Modeling Insurgent Network Structure and Dynamics

Science.gov (United States)

Gabbay, Michael; Thirkill-Mackelprang, Ashley

2010-03-01

We present a methodology for mapping insurgent network structure based on their public rhetoric. Indicators of cooperative links between insurgent groups at both the leadership and rank-and-file levels are used, such as joint policy statements or joint operations claims. In addition, a targeting policy measure is constructed on the basis of insurgent targeting claims. Network diagrams which integrate these measures of insurgent cooperation and ideology are generated for different periods of the Iraqi and Afghan insurgencies. The network diagrams exhibit meaningful changes which track the evolution of the strategic environment faced by insurgent groups. Correlations between targeting policy and network structure indicate that insurgent targeting claims are aimed at establishing a group identity among the spectrum of rank-and-file insurgency supporters. A dynamical systems model of insurgent alliance formation and factionalism is presented which evolves the relationship between insurgent group dyads as a function of their ideological differences and their current relationships. The ability of the model to qualitatively and quantitatively capture insurgent network dynamics observed in the data is discussed.

Validation of an employee satisfaction model: A structural equation model approach

OpenAIRE

Ophillia Ledimo; Nico Martins

2015-01-01

The purpose of this study was to validate an employee satisfaction model and to determine the relationships between the different dimensions of the concept, using the structural equation modelling approach (SEM). A cross-sectional quantitative survey design was used to collect data from a random sample of (n=759) permanent employees of a parastatal organisation. Data was collected using the Employee Satisfaction Survey (ESS) to measure employee satisfaction dimensions. Following the steps of ...

Airline Sustainability Modeling: A New Framework with Application of Bayesian Structural Equation Modeling

DEFF Research Database (Denmark)

Salarzadeh Jenatabadi, Hashem; Babashamsi, Peyman; Khajeheian, Datis

2016-01-01

There are many factors which could influence the sustainability of airlines. The main purpose of this study is to introduce a framework for a financial sustainability index and model it based on structural equation modeling (SEM) with maximum likelihood and Bayesian predictors. The introduced...

Models and Techniques for Proving Data Structure Lower Bounds

DEFF Research Database (Denmark)

Larsen, Kasper Green

In this dissertation, we present a number of new techniques and tools for proving lower bounds on the operational time of data structures. These techniques provide new lines of attack for proving lower bounds in both the cell probe model, the group model, the pointer machine model and the I...... bound of tutq = (lgd􀀀1 n). For ball range searching, we get a lower bound of tutq = (n1􀀀1=d). The highest previous lower bound proved in the group model does not exceed ((lg n= lg lg n)2) on the maximum of tu and tq. Finally, we present a new technique for proving lower bounds....../O-model. In all cases, we push the frontiers further by proving lower bounds higher than what could possibly be proved using previously known techniques. For the cell probe model, our results have the following consequences: The rst (lg n) query time lower bound for linear space static data structures...

Modeling Structural, Dyadic, and Individual Factors: The Inclusion and Exclusion Model of HIV Related Behavior

OpenAIRE

Albarracin, Dolores; Tannenbaum, Melanie B.; Glasman, Laura R.; Rothman, Alexander J.

2010-01-01

Changing HIV-related behaviors requires addressing the individual, dyadic, and structural influences that shape them. This supplement of AIDS & Behavior presents frameworks that integrate these three influences on behavior. Concepts from these frameworks were selected to model the processes by which structural factors affect individual HIV-related behavior. In the Inclusion/Exclusion Model, material and symbolic inclusions and exclusions (sharing versus denying resources) regulate individuals...

Structural analysis of reactor buildings with help of complete FE models

International Nuclear Information System (INIS)

Diaz, B.E.; Vaz, L.E.; Martha, L.F.R.; Costa, E.

1984-01-01

The reinforced concrete structures located within the steel containment shell of a Reactor Building are formed by highly complex structures subjected to a large amount of actions due to different causes. The analysis of this complex structure can be performed with help of small models, each one representing a part of the global structure. The interaction effects among the partial models are accounted for in approximate way. This approach has been used previously with entire success in the design of 1300 MW PWR nuclear power plants. However a new and entire different approach can be used in the design of these structures. The entire assembly of structural elements of the building is represented and analyzed with help of a single and very large FE model. This paper will present the main characteristics of this type of analysis as well as all the necessary procedures, which must be implemented for the proper data processing of the forces and the automatic reinforced concrete design of the structural elements of the Reactor Building. (Author) [pt

Mixing Energy Models in Genetic Algorithms for On-Lattice Protein Structure Prediction

Directory of Open Access Journals (Sweden)

Mahmood A. Rashid

2013-01-01

Full Text Available Protein structure prediction (PSP is computationally a very challenging problem. The challenge largely comes from the fact that the energy function that needs to be minimised in order to obtain the native structure of a given protein is not clearly known. A high resolution 20×20 energy model could better capture the behaviour of the actual energy function than a low resolution energy model such as hydrophobic polar. However, the fine grained details of the high resolution interaction energy matrix are often not very informative for guiding the search. In contrast, a low resolution energy model could effectively bias the search towards certain promising directions. In this paper, we develop a genetic algorithm that mainly uses a high resolution energy model for protein structure evaluation but uses a low resolution HP energy model in focussing the search towards exploring structures that have hydrophobic cores. We experimentally show that this mixing of energy models leads to significant lower energy structures compared to the state-of-the-art results.

Validation of the measurement model concept for error structure identification

International Nuclear Information System (INIS)

Shukla, Pavan K.; Orazem, Mark E.; Crisalle, Oscar D.

2004-01-01

The development of different forms of measurement models for impedance has allowed examination of key assumptions on which the use of such models to assess error structure are based. The stochastic error structures obtained using the transfer-function and Voigt measurement models were identical, even when non-stationary phenomena caused some of the data to be inconsistent with the Kramers-Kronig relations. The suitability of the measurement model for assessment of consistency with the Kramers-Kronig relations, however, was found to be more sensitive to the confidence interval for the parameter estimates than to the number of parameters in the model. A tighter confidence interval was obtained for Voigt measurement model, which made the Voigt measurement model a more sensitive tool for identification of inconsistencies with the Kramers-Kronig relations

Multiphase poroelastic finite element models for soft tissue structures

International Nuclear Information System (INIS)

Simon, B.R.

1992-01-01

During the last two decades, biological structures with soft tissue components have been modeled using poroelastic or mixture-based constitutive laws, i.e., the material is viewed as a deformable (porous) solid matrix that is saturated by mobile tissue fluid. These structures exhibit a highly nonlinear, history-dependent material behavior; undergo finite strains; and may swell or shrink when tissue ionic concentrations are altered. Give the geometric and material complexity of soft tissue structures and that they are subjected to complicated initial and boundary conditions, finite element models (FEMs) have been very useful for quantitative structural analyses. This paper surveys recent applications of poroelastic and mixture-based theories and the associated FEMs for the study of the biomechanics of soft tissues, and indicates future directions for research in this area. Equivalent finite-strain poroelastic and mixture continuum biomechanical models are presented. Special attention is given to the identification of material properties using a porohyperelastic constitutive law ans a total Lagrangian view for the formulation. The associated FEMs are then formulated to include this porohyperelastic material response and finite strains. Extensions of the theory are suggested in order to include inherent viscoelasticity, transport phenomena, and swelling in soft tissue structures. A number of biomechanical research areas are identified, and possible applications of the porohyperelastic and mixture-based FEMs are suggested. 62 refs., 11 figs., 3 tabs

Numerical Cerebrospinal System Modeling in Fluid-Structure Interaction.

Science.gov (United States)

Garnotel, Simon; Salmon, Stéphanie; Balédent, Olivier

2018-01-01

Cerebrospinal fluid (CSF) stroke volume in the aqueduct is widely used to evaluate CSF dynamics disorders. In a healthy population, aqueduct stroke volume represents around 10% of the spinal stroke volume while intracranial subarachnoid space stroke volume represents 90%. The amplitude of the CSF oscillations through the different compartments of the cerebrospinal system is a function of the geometry and the compliances of each compartment, but we suspect that it could also be impacted be the cardiac cycle frequency. To study this CSF distribution, we have developed a numerical model of the cerebrospinal system taking into account cerebral ventricles, intracranial subarachnoid spaces, spinal canal and brain tissue in fluid-structure interactions. A numerical fluid-structure interaction model is implemented using a finite-element method library to model the cerebrospinal system and its interaction with the brain based on fluid mechanics equations and linear elasticity equations coupled in a monolithic formulation. The model geometry, simplified in a first approach, is designed in accordance with realistic volume ratios of the different compartments: a thin tube is used to mimic the high flow resistance of the aqueduct. CSF velocity and pressure and brain displacements are obtained as simulation results, and CSF flow and stroke volume are calculated from these results. Simulation results show a significant variability of aqueduct stroke volume and intracranial subarachnoid space stroke volume in the physiological range of cardiac frequencies. Fluid-structure interactions are numerous in the cerebrospinal system and difficult to understand in the rigid skull. The presented model highlights significant variations of stroke volumes under cardiac frequency variations only.

Modeling Broadband Microwave Structures by Artificial Neural Networks

Directory of Open Access Journals (Sweden)

V. Otevrel

2004-06-01

Full Text Available The paper describes the exploitation of feed-forward neural networksand recurrent neural networks for replacing full-wave numerical modelsof microwave structures in complex microwave design tools. Building aneural model, attention is turned to the modeling accuracy and to theefficiency of building a model. Dealing with the accuracy, we describea method of increasing it by successive completing a training set.Neural models are mutually compared in order to highlight theiradvantages and disadvantages. As a reference model for comparisons,approximations based on standard cubic splines are used. Neural modelsare used to replace both the time-domain numeric models and thefrequency-domain ones.

Modeling structure of G protein-coupled receptors in huan genome

KAUST Repository

Zhang, Yang

2016-01-26

G protein-coupled receptors (or GPCRs) are integral transmembrane proteins responsible to various cellular signal transductions. Human GPCR proteins are encoded by 5% of human genes but account for the targets of 40% of the FDA approved drugs. Due to difficulties in crystallization, experimental structure determination remains extremely difficult for human GPCRs, which have been a major barrier in modern structure-based drug discovery. We proposed a new hybrid protocol, GPCR-I-TASSER, to construct GPCR structure models by integrating experimental mutagenesis data with ab initio transmembrane-helix assembly simulations, assisted by the predicted transmembrane-helix interaction networks. The method was tested in recent community-wide GPCRDock experiments and constructed models with a root mean square deviation 1.26 Å for Dopamine-3 and 2.08 Å for Chemokine-4 receptors in the transmembrane domain regions, which were significantly closer to the native than the best templates available in the PDB. GPCR-I-TASSER has been applied to model all 1,026 putative GPCRs in the human genome, where 923 are found to have correct folds based on the confidence score analysis and mutagenesis data comparison. The successfully modeled GPCRs contain many pharmaceutically important families that do not have previously solved structures, including Trace amine, Prostanoids, Releasing hormones, Melanocortins, Vasopressin and Neuropeptide Y receptors. All the human GPCR models have been made publicly available through the GPCR-HGmod database at http://zhanglab.ccmb.med.umich.edu/GPCR-HGmod/ The results demonstrate new progress on genome-wide structure modeling of transmembrane proteins which should bring useful impact on the effort of GPCR-targeted drug discovery.

Reducing structural uncertainty in conceptual hydrological modeling in the semi-arid Andes

Science.gov (United States)

Hublart, P.; Ruelland, D.; Dezetter, A.; Jourde, H.

2014-10-01

The use of lumped, conceptual models in hydrological impact studies requires placing more emphasis on the uncertainty arising from deficiencies and/or ambiguities in the model structure. This study provides an opportunity to combine a multiple-hypothesis framework with a multi-criteria assessment scheme to reduce structural uncertainty in the conceptual modeling of a meso-scale Andean catchment (1515 km2) over a 30 year period (1982-2011). The modeling process was decomposed into six model-building decisions related to the following aspects of the system behavior: snow accumulation and melt, runoff generation, redistribution and delay of water fluxes, and natural storage effects. Each of these decisions was provided with a set of alternative modeling options, resulting in a total of 72 competing model structures. These structures were calibrated using the concept of Pareto optimality with three criteria pertaining to streamflow simulations and one to the seasonal dynamics of snow processes. The results were analyzed in the four-dimensional space of performance measures using a fuzzy c-means clustering technique and a differential split sample test, leading to identify 14 equally acceptable model hypotheses. A filtering approach was then applied to these best-performing structures in order to minimize the overall uncertainty envelope while maximizing the number of enclosed observations. This led to retain 8 model hypotheses as a representation of the minimum structural uncertainty that could be obtained with this modeling framework. Future work to better consider model predictive uncertainty should include a proper assessment of parameter equifinality and data errors, as well as the testing of new or refined hypotheses to allow for the use of additional auxiliary observations.

Reducing structural uncertainty in conceptual hydrological modelling in the semi-arid Andes

Science.gov (United States)

Hublart, P.; Ruelland, D.; Dezetter, A.; Jourde, H.

2015-05-01

The use of lumped, conceptual models in hydrological impact studies requires placing more emphasis on the uncertainty arising from deficiencies and/or ambiguities in the model structure. This study provides an opportunity to combine a multiple-hypothesis framework with a multi-criteria assessment scheme to reduce structural uncertainty in the conceptual modelling of a mesoscale Andean catchment (1515 km2) over a 30-year period (1982-2011). The modelling process was decomposed into six model-building decisions related to the following aspects of the system behaviour: snow accumulation and melt, runoff generation, redistribution and delay of water fluxes, and natural storage effects. Each of these decisions was provided with a set of alternative modelling options, resulting in a total of 72 competing model structures. These structures were calibrated using the concept of Pareto optimality with three criteria pertaining to streamflow simulations and one to the seasonal dynamics of snow processes. The results were analyzed in the four-dimensional (4-D) space of performance measures using a fuzzy c-means clustering technique and a differential split sample test, leading to identify 14 equally acceptable model hypotheses. A filtering approach was then applied to these best-performing structures in order to minimize the overall uncertainty envelope while maximizing the number of enclosed observations. This led to retain eight model hypotheses as a representation of the minimum structural uncertainty that could be obtained with this modelling framework. Future work to better consider model predictive uncertainty should include a proper assessment of parameter equifinality and data errors, as well as the testing of new or refined hypotheses to allow for the use of additional auxiliary observations.

Modeling the structure of RNA molecules with small-angle X-ray scattering data.

Directory of Open Access Journals (Sweden)

Michal Jan Gajda

Full Text Available We propose a novel fragment assembly method for low-resolution modeling of RNA and show how it may be used along with small-angle X-ray solution scattering (SAXS data to model low-resolution structures of particles having as many as 12 independent secondary structure elements. We assessed this model-building procedure by using both artificial data on a previously proposed benchmark and publicly available data. With the artificial data, SAXS-guided models show better similarity to native structures than ROSETTA decoys. The publicly available data showed that SAXS-guided models can be used to reinterpret RNA structures previously deposited in the Protein Data Bank. Our approach allows for fast and efficient building of de novo models of RNA using approximate secondary structures that can be readily obtained from existing bioinformatic approaches. We also offer a rigorous assessment of the resolving power of SAXS in the case of small RNA structures, along with a small multimetric benchmark of the proposed method.

Followee recommendation in microblog using matrix factorization model with structural regularization.

Science.gov (United States)

Yu, Yan; Qiu, Robin G

2014-01-01

Microblog that provides us a new communication and information sharing platform has been growing exponentially since it emerged just a few years ago. To microblog users, recommending followees who can serve as high quality information sources is a competitive service. To address this problem, in this paper we propose a matrix factorization model with structural regularization to improve the accuracy of followee recommendation in microblog. More specifically, we adapt the matrix factorization model in traditional item recommender systems to followee recommendation in microblog and use structural regularization to exploit structure information of social network to constrain matrix factorization model. The experimental analysis on a real-world dataset shows that our proposed model is promising.

An analytically solvable model for rapid evolution of modular structure.

Directory of Open Access Journals (Sweden)

Nadav Kashtan

2009-04-01

Full Text Available Biological systems often display modularity, in the sense that they can be decomposed into nearly independent subsystems. Recent studies have suggested that modular structure can spontaneously emerge if goals (environments change over time, such that each new goal shares the same set of sub-problems with previous goals. Such modularly varying goals can also dramatically speed up evolution, relative to evolution under a constant goal. These studies were based on simulations of model systems, such as logic circuits and RNA structure, which are generally not easy to treat analytically. We present, here, a simple model for evolution under modularly varying goals that can be solved analytically. This model helps to understand some of the fundamental mechanisms that lead to rapid emergence of modular structure under modularly varying goals. In particular, the model suggests a mechanism for the dramatic speedup in evolution observed under such temporally varying goals.

Yield response of winter wheat cultivars to environments modeled by different variance-covariance structures in linear mixed models

Energy Technology Data Exchange (ETDEWEB)

Studnicki, M.; Mądry, W.; Noras, K.; Wójcik-Gront, E.; Gacek, E.

2016-11-01

The main objectives of multi-environmental trials (METs) are to assess cultivar adaptation patterns under different environmental conditions and to investigate genotype by environment (G×E) interactions. Linear mixed models (LMMs) with more complex variance-covariance structures have become recognized and widely used for analyzing METs data. Best practice in METs analysis is to carry out a comparison of competing models with different variance-covariance structures. Improperly chosen variance-covariance structures may lead to biased estimation of means resulting in incorrect conclusions. In this work we focused on adaptive response of cultivars on the environments modeled by the LMMs with different variance-covariance structures. We identified possible limitations of inference when using an inadequate variance-covariance structure. In the presented study we used the dataset on grain yield for 63 winter wheat cultivars, evaluated across 18 locations, during three growing seasons (2008/2009-2010/2011) from the Polish Post-registration Variety Testing System. For the evaluation of variance-covariance structures and the description of cultivars adaptation to environments, we calculated adjusted means for the combination of cultivar and location in models with different variance-covariance structures. We concluded that in order to fully describe cultivars adaptive patterns modelers should use the unrestricted variance-covariance structure. The restricted compound symmetry structure may interfere with proper interpretation of cultivars adaptive patterns. We found, that the factor-analytic structure is also a good tool to describe cultivars reaction on environments, and it can be successfully used in METs data after determining the optimal component number for each dataset. (Author)

Constitutive Models for Design of Sustainable Concrete Structures

Science.gov (United States)

Brozovsky, J.; Cajka, R.; Koktan, J.

2018-04-01

The paper deals with numerical models of reinforced concrete which are expected to be useful to enhance design of sustainable reinforced concrete structures. That is, the models which can deliver higher precision of results than the linear elastic models but which are still feasible for engineering practice. Such models can be based on an elastic-plastic material. The paper discusses properties of such models. A material model based of the Chen criteria and the Ohtani hardening model for concrete was selected for further development. There is also given a comparison of behaviour of such model with behaviour of a more complex smeared crack model which is based on principles of fracture mechanics.

Joint Modelling of Structural and Functional Brain Networks

DEFF Research Database (Denmark)

Andersen, Kasper Winther; Herlau, Tue; Mørup, Morten

-parametric Bayesian network model which allows for joint modelling and integration of multiple networks. We demonstrate the model’s ability to detect vertices that share structure across networks jointly in functional MRI (fMRI) and diffusion MRI (dMRI) data. Using two fMRI and dMRI scans per subject, we establish...

Vision-based stress estimation model for steel frame structures with rigid links

Science.gov (United States)

Park, Hyo Seon; Park, Jun Su; Oh, Byung Kwan

2017-07-01

This paper presents a stress estimation model for the safety evaluation of steel frame structures with rigid links using a vision-based monitoring system. In this model, the deformed shape of a structure under external loads is estimated via displacements measured by a motion capture system (MCS), which is a non-contact displacement measurement device. During the estimation of the deformed shape, the effective lengths of the rigid link ranges in the frame structure are identified. The radius of the curvature of the structural member to be monitored is calculated using the estimated deformed shape and is employed to estimate stress. Using MCS in the presented model, the safety of a structure can be assessed gauge-freely. In addition, because the stress is directly extracted from the radius of the curvature obtained from the measured deformed shape, information on the loadings and boundary conditions of the structure are not required. Furthermore, the model, which includes the identification of the effective lengths of the rigid links, can consider the influences of the stiffness of the connection and support on the deformation in the stress estimation. To verify the applicability of the presented model, static loading tests for a steel frame specimen were conducted. By comparing the stress estimated by the model with the measured stress, the validity of the model was confirmed.

Diverse binding site structures revealed in homology models of polyreactive immunoglobulins

Science.gov (United States)

Ramsland, Paul A.; Guddat, Luke W.; Edmundson, Allen B.; Raison, Robert L.

1997-09-01

We describe here computer-assisted homology models of the combiningsite structure of three polyreactive immunoglobulins. Template-based modelsof Fv (VL-VH) fragments were derived forthe surface IgM expressed by the malignant CD5 positive B cells from threepatients with chronic lymphocytic leukaemia (CLL). The conserved frameworkregions were constructed using crystal coordinates taken from highlyhomologous human variable domain structures (Pot and Hil). Complementaritydetermining regions (CDRs) were predicted by grafting loops, taken fromknown immunoglobulin structures, onto the Fv framework models. The CDRtemplates were chosen, where possible, to be of the same length and of highresidue identity or similarity. LCDR1, 2 and 3 as well as HCDR1 and 2 forthe Fv were constructed using this strategy. For HCDR3 prediction, adatabase containing the Cartesian coordinates of 30 of these loops wascompiled from unliganded antibody X-ray crystallographic structures and anHCDR3 of the same length as that of the B CLL Fv was selected as a template.In one case (Yar), the resulting HCDR3 model gave unfavourable interactionswhen incorporated into the Fv model. This HCDR3 was therefore modelled usingan alternative strategy of construction of the loop stems, using apreviously described HCDR3 conformation (Pot), followed by chain closurewith a β-turn. The template models were subjected to positionalrefinement using energy minimisation and molecular dynamics simulations(X-PLOR). An electrostatic surface description (GRASP) did not reveal acommon structural feature within the binding sites of the three polyreactiveFv. Thus, polyreactive immunoglobulins may recognise similar and multipleantigens through a diverse array of binding site structures.

Model structural uncertainty quantification and hydrogeophysical data integration using airborne electromagnetic data (Invited)

DEFF Research Database (Denmark)

Minsley, Burke; Christensen, Nikolaj Kruse; Christensen, Steen

of airborne electromagnetic (AEM) data to estimate large-scale model structural geometry, i.e. the spatial distribution of different lithological units based on assumed or estimated resistivity-lithology relationships, and the uncertainty in those structures given imperfect measurements. Geophysically derived...... estimates of model structural uncertainty are then combined with hydrologic observations to assess the impact of model structural error on hydrologic calibration and prediction errors. Using a synthetic numerical model, we describe a sequential hydrogeophysical approach that: (1) uses Bayesian Markov chain...... Monte Carlo (McMC) methods to produce a robust estimate of uncertainty in electrical resistivity parameter values, (2) combines geophysical parameter uncertainty estimates with borehole observations of lithology to produce probabilistic estimates of model structural uncertainty over the entire AEM...

Testing strong factorial invariance using three-level structural equation modeling

NARCIS (Netherlands)

Jak, Suzanne

Within structural equation modeling, the most prevalent model to investigate measurement bias is the multigroup model. Equal factor loadings and intercepts across groups in a multigroup model represent strong factorial invariance (absence of measurement bias) across groups. Although this approach is

Protein Structure Classification and Loop Modeling Using Multiple Ramachandran Distributions

KAUST Repository

Najibi, Seyed Morteza; Maadooliat, Mehdi; Zhou, Lan; Huang, Jianhua Z.; Gao, Xin

2017-01-01

Recently, the study of protein structures using angular representations has attracted much attention among structural biologists. The main challenge is how to efficiently model the continuous conformational space of the protein structures based on the differences and similarities between different Ramachandran plots. Despite the presence of statistical methods for modeling angular data of proteins, there is still a substantial need for more sophisticated and faster statistical tools to model the large-scale circular datasets. To address this need, we have developed a nonparametric method for collective estimation of multiple bivariate density functions for a collection of populations of protein backbone angles. The proposed method takes into account the circular nature of the angular data using trigonometric spline which is more efficient compared to existing methods. This collective density estimation approach is widely applicable when there is a need to estimate multiple density functions from different populations with common features. Moreover, the coefficients of adaptive basis expansion for the fitted densities provide a low-dimensional representation that is useful for visualization, clustering, and classification of the densities. The proposed method provides a novel and unique perspective to two important and challenging problems in protein structure research: structure-based protein classification and angular-sampling-based protein loop structure prediction.

Protein Structure Classification and Loop Modeling Using Multiple Ramachandran Distributions

KAUST Repository

Najibi, Seyed Morteza

2017-02-08

Recently, the study of protein structures using angular representations has attracted much attention among structural biologists. The main challenge is how to efficiently model the continuous conformational space of the protein structures based on the differences and similarities between different Ramachandran plots. Despite the presence of statistical methods for modeling angular data of proteins, there is still a substantial need for more sophisticated and faster statistical tools to model the large-scale circular datasets. To address this need, we have developed a nonparametric method for collective estimation of multiple bivariate density functions for a collection of populations of protein backbone angles. The proposed method takes into account the circular nature of the angular data using trigonometric spline which is more efficient compared to existing methods. This collective density estimation approach is widely applicable when there is a need to estimate multiple density functions from different populations with common features. Moreover, the coefficients of adaptive basis expansion for the fitted densities provide a low-dimensional representation that is useful for visualization, clustering, and classification of the densities. The proposed method provides a novel and unique perspective to two important and challenging problems in protein structure research: structure-based protein classification and angular-sampling-based protein loop structure prediction.

Kinematic models of extensional structures

International Nuclear Information System (INIS)

Groshong, R.H. Jr.

1990-01-01

This paper discusses kinematic models that can relate faults of different types and different positions within a single dynamic system and thereby offer the potential to explain the disparate seismic activity characteristic of extensional terrains. The major styles are full grabens, half grabens, domino blocks, and glide-block systems. Half grabens, the most likely models for Basin and Range structure, are formed above a master fault of decreasing dip with depth and a hangingwall that deforms as it passes over the curved fault. Second-order normal faults, typically domino style, accommodate the required hangingwall deformation. According to the author low-angle detachment faults are consistent with the evidence of seismicity only on high-angle faults if the hangingwall of the detachment is broken by multiple half-graben systems

Modeling structured population dynamics using data from unmarked individuals

Science.gov (United States)

Grant, Evan H. Campbell; Zipkin, Elise; Thorson, James T.; See, Kevin; Lynch, Heather J.; Kanno, Yoichiro; Chandler, Richard; Letcher, Benjamin H.; Royle, J. Andrew

2014-01-01

The study of population dynamics requires unbiased, precise estimates of abundance and vital rates that account for the demographic structure inherent in all wildlife and plant populations. Traditionally, these estimates have only been available through approaches that rely on intensive mark–recapture data. We extended recently developed N-mixture models to demonstrate how demographic parameters and abundance can be estimated for structured populations using only stage-structured count data. Our modeling framework can be used to make reliable inferences on abundance as well as recruitment, immigration, stage-specific survival, and detection rates during sampling. We present a range of simulations to illustrate the data requirements, including the number of years and locations necessary for accurate and precise parameter estimates. We apply our modeling framework to a population of northern dusky salamanders (Desmognathus fuscus) in the mid-Atlantic region (USA) and find that the population is unexpectedly declining. Our approach represents a valuable advance in the estimation of population dynamics using multistate data from unmarked individuals and should additionally be useful in the development of integrated models that combine data from intensive (e.g., mark–recapture) and extensive (e.g., counts) data sources.

Multi-physics fluid-structure interaction modelling software

CSIR Research Space (South Africa)

Malan, AG

2008-11-01

Full Text Available -structure interaction modelling software AG MALAN AND O OXTOBY CSIR Defence, Peace, Safety and Security, PO Box 395, Pretoria, 0001 Email: amalan@csir.co.za – www.csir.co.za Internationally leading aerospace company Airbus sponsored key components... of the development of the CSIR fl uid-structure interaction (FSI) software. Below are extracts from their evaluation of the devel- oped technology: “The fi eld of FSI covers a massive range of engineering problems, each with their own multi-parameter, individual...

A deterministic model for the growth of non-conducting electrical tree structures

International Nuclear Information System (INIS)

Dodd, S J

2003-01-01

Electrical treeing is of interest to the electrical generation, transmission and distribution industries as it is one of the causes of insulation failure in electrical machines, switchgear and transformer bushings. In this paper a deterministic electrical tree growth model is described. The model is based on electrostatics and local electron avalanches to model partial discharge activity within the growing tree structure. Damage to the resin surrounding the tree structure is dependent on the local electrostatic energy dissipation by partial discharges within the tree structure and weighted by the magnitudes of the local electric fields in the resin surrounding the tree structure. The model is successful in simulating the formation of branched structures without the need of a random variable, a requirement of previous stochastic models. Instability in the spatial development of partial discharges within the tree structure takes the role of the stochastic element as used in previous models to produce branched tree structures. The simulated electrical trees conform to the experimentally observed behaviour; tree length versus time and electrical tree growth rate as a function of applied voltage for non-conducting electrical trees. The phase synchronous partial discharge activity and the spatial distribution of emitted light from the tree structure are also in agreement with experimental data for non-conducting trees as grown in a flexible epoxy resin and in polyethylene. The fact that similar tree growth behaviour is found using pure amorphous (epoxy resin) and semicrystalline (polyethylene) materials demonstrate that neither annealed or quenched noise, representing material inhomogeneity, is required for the formation of irregular branched structures (electrical trees). Instead, as shown in this paper, branched growth can occur due to the instability of individual discharges within the tree structure

Impact of model structure and parameterization on Penman-Monteith type evaporation models

KAUST Repository

Ershadi, A.; McCabe, Matthew; Evans, J.P.; Wood, E.F.

2015-01-01

Overall, the results illustrate the sensitivity of Penman-Monteith type models to model structure, parameterization choice and biome type. A particular challenge in flux estimation relates to developing robust and broadly applicable model formulations. With many choices available for use, providing guidance on the most appropriate scheme to employ is required to advance approaches for routine global scale flux estimates, undertake hydrometeorological assessments or develop hydrological forecasting tools, amongst many other applications. In such cases, a multi-model ensemble or biome-specific tiled evaporation product may be an appropriate solution, given the inherent variability in model and parameterization choice that is observed within single product estimates.

SMOG@ctbp: simplified deployment of structure-based models in GROMACS.

Science.gov (United States)

Noel, Jeffrey K; Whitford, Paul C; Sanbonmatsu, Karissa Y; Onuchic, José N

2010-07-01

Molecular dynamics simulations with coarse-grained and/or simplified Hamiltonians are an effective means of capturing the functionally important long-time and large-length scale motions of proteins and RNAs. Structure-based Hamiltonians, simplified models developed from the energy landscape theory of protein folding, have become a standard tool for investigating biomolecular dynamics. SMOG@ctbp is an effort to simplify the use of structure-based models. The purpose of the web server is two fold. First, the web tool simplifies the process of implementing a well-characterized structure-based model on a state-of-the-art, open source, molecular dynamics package, GROMACS. Second, the tutorial-like format helps speed the learning curve of those unfamiliar with molecular dynamics. A web tool user is able to upload any multi-chain biomolecular system consisting of standard RNA, DNA and amino acids in PDB format and receive as output all files necessary to implement the model in GROMACS. Both C(alpha) and all-atom versions of the model are available. SMOG@ctbp resides at http://smog.ucsd.edu.

A general modeling framework for describing spatially structured population dynamics

Science.gov (United States)

Sample, Christine; Fryxell, John; Bieri, Joanna; Federico, Paula; Earl, Julia; Wiederholt, Ruscena; Mattsson, Brady; Flockhart, Tyler; Nicol, Sam; Diffendorfer, James E.; Thogmartin, Wayne E.; Erickson, Richard A.; Norris, D. Ryan

2017-01-01

Variation in movement across time and space fundamentally shapes the abundance and distribution of populations. Although a variety of approaches model structured population dynamics, they are limited to specific types of spatially structured populations and lack a unifying framework. Here, we propose a unified network-based framework sufficiently novel in its flexibility to capture a wide variety of spatiotemporal processes including metapopulations and a range of migratory patterns. It can accommodate different kinds of age structures, forms of population growth, dispersal, nomadism and migration, and alternative life-history strategies. Our objective was to link three general elements common to all spatially structured populations (space, time and movement) under a single mathematical framework. To do this, we adopt a network modeling approach. The spatial structure of a population is represented by a weighted and directed network. Each node and each edge has a set of attributes which vary through time. The dynamics of our network-based population is modeled with discrete time steps. Using both theoretical and real-world examples, we show how common elements recur across species with disparate movement strategies and how they can be combined under a unified mathematical framework. We illustrate how metapopulations, various migratory patterns, and nomadism can be represented with this modeling approach. We also apply our network-based framework to four organisms spanning a wide range of life histories, movement patterns, and carrying capacities. General computer code to implement our framework is provided, which can be applied to almost any spatially structured population. This framework contributes to our theoretical understanding of population dynamics and has practical management applications, including understanding the impact of perturbations on population size, distribution, and movement patterns. By working within a common framework, there is less chance