The structural bioinformatics library: modeling in biomolecular science and beyond.

PubMed

Cazals, Frédéric; Dreyfus, Tom

2017-04-01

Software in structural bioinformatics has mainly been application driven. To favor practitioners seeking off-the-shelf applications, but also developers seeking advanced building blocks to develop novel applications, we undertook the design of the Structural Bioinformatics Library ( SBL , http://sbl.inria.fr ), a generic C ++/python cross-platform software library targeting complex problems in structural bioinformatics. Its tenet is based on a modular design offering a rich and versatile framework allowing the development of novel applications requiring well specified complex operations, without compromising robustness and performances. The SBL involves four software components (1-4 thereafter). For end-users, the SBL provides ready to use, state-of-the-art (1) applications to handle molecular models defined by unions of balls, to deal with molecular flexibility, to model macro-molecular assemblies. These applications can also be combined to tackle integrated analysis problems. For developers, the SBL provides a broad C ++ toolbox with modular design, involving core (2) algorithms , (3) biophysical models and (4) modules , the latter being especially suited to develop novel applications. The SBL comes with a thorough documentation consisting of user and reference manuals, and a bugzilla platform to handle community feedback. The SBL is available from http://sbl.inria.fr. Frederic.Cazals@inria.fr. Supplementary data are available at Bioinformatics online. © The Author 2016. Published by Oxford University Press. All rights reserved. For Permissions, please e-mail: journals.permissions@oup.com

Data Mining of Macromolecular Structures.

PubMed

van Beusekom, Bart; Perrakis, Anastassis; Joosten, Robbie P

2016-01-01

The use of macromolecular structures is widespread for a variety of applications, from teaching protein structure principles all the way to ligand optimization in drug development. Applying data mining techniques on these experimentally determined structures requires a highly uniform, standardized structural data source. The Protein Data Bank (PDB) has evolved over the years toward becoming the standard resource for macromolecular structures. However, the process selecting the data most suitable for specific applications is still very much based on personal preferences and understanding of the experimental techniques used to obtain these models. In this chapter, we will first explain the challenges with data standardization, annotation, and uniformity in the PDB entries determined by X-ray crystallography. We then discuss the specific effect that crystallographic data quality and model optimization methods have on structural models and how validation tools can be used to make informed choices. We also discuss specific advantages of using the PDB_REDO databank as a resource for structural data. Finally, we will provide guidelines on how to select the most suitable protein structure models for detailed analysis and how to select a set of structure models suitable for data mining.

A Procedure for Structural Weight Estimation of Single Stage to Orbit Launch Vehicles (Interim User's Manual)

NASA Technical Reports Server (NTRS)

Martinovic, Zoran N.; Cerro, Jeffrey A.

2002-01-01

This is an interim user's manual for current procedures used in the Vehicle Analysis Branch at NASA Langley Research Center, Hampton, Virginia, for launch vehicle structural subsystem weight estimation based on finite element modeling and structural analysis. The process is intended to complement traditional methods of conceptual and early preliminary structural design such as the application of empirical weight estimation or application of classical engineering design equations and criteria on one dimensional "line" models. Functions of two commercially available software codes are coupled together. Vehicle modeling and analysis are done using SDRC/I-DEAS, and structural sizing is performed with the Collier Research Corp. HyperSizer program.

Modeling Structure and Dynamics of Protein Complexes with SAXS Profiles

PubMed Central

Schneidman-Duhovny, Dina; Hammel, Michal

2018-01-01

Small-angle X-ray scattering (SAXS) is an increasingly common and useful technique for structural characterization of molecules in solution. A SAXS experiment determines the scattering intensity of a molecule as a function of spatial frequency, termed SAXS profile. SAXS profiles can be utilized in a variety of molecular modeling applications, such as comparing solution and crystal structures, structural characterization of flexible proteins, assembly of multi-protein complexes, and modeling of missing regions in the high-resolution structure. Here, we describe protocols for modeling atomic structures based on SAXS profiles. The first protocol is for comparing solution and crystal structures including modeling of missing regions and determination of the oligomeric state. The second protocol performs multi-state modeling by finding a set of conformations and their weights that fit the SAXS profile starting from a single-input structure. The third protocol is for protein-protein docking based on the SAXS profile of the complex. We describe the underlying software, followed by demonstrating their application on interleukin 33 (IL33) with its primary receptor ST2 and DNA ligase IV-XRCC4 complex. PMID:29605933

Variable Complexity Structural Optimization of Shells

NASA Technical Reports Server (NTRS)

Haftka, Raphael T.; Venkataraman, Satchi

1999-01-01

Structural designers today face both opportunities and challenges in a vast array of available analysis and optimization programs. Some programs such as NASTRAN, are very general, permitting the designer to model any structure, to any degree of accuracy, but often at a higher computational cost. Additionally, such general procedures often do not allow easy implementation of all constraints of interest to the designer. Other programs, based on algebraic expressions used by designers one generation ago, have limited applicability for general structures with modem materials. However, when applicable, they provide easy understanding of design decisions trade-off. Finally, designers can also use specialized programs suitable for designing efficiently a subset of structural problems. For example, PASCO and PANDA2 are panel design codes, which calculate response and estimate failure much more efficiently than general-purpose codes, but are narrowly applicable in terms of geometry and loading. Therefore, the problem of optimizing structures based on simultaneous use of several models and computer programs is a subject of considerable interest. The problem of using several levels of models in optimization has been dubbed variable complexity modeling. Work under NASA grant NAG1-2110 has been concerned with the development of variable complexity modeling strategies with special emphasis on response surface techniques. In addition, several modeling issues for the design of shells of revolution were studied.

Variable Complexity Structural Optimization of Shells

NASA Technical Reports Server (NTRS)

Haftka, Raphael T.; Venkataraman, Satchi

1998-01-01

Structural designers today face both opportunities and challenges in a vast array of available analysis and optimization programs. Some programs such as NASTRAN, are very general, permitting the designer to model any structure, to any degree of accuracy, but often at a higher computational cost. Additionally, such general procedures often do not allow easy implementation of all constraints of interest to the designer. Other programs, based on algebraic expressions used by designers one generation ago, have limited applicability for general structures with modem materials. However, when applicable, they provide easy understanding of design decisions trade-off. Finally, designers can also use specialized programs suitable for designing efficiently a subset of structural problems. For example, PASCO and PANDA2 are panel design codes, which calculate response and estimate failure much more efficiently than general-purpose codes, but are narrowly applicable in terms of geometry and loading. Therefore, the problem of optimizing structures based on simultaneous use of several models and computer programs is a subject of considerable interest. The problem of using several levels of models in optimization has been dubbed variable complexity modeling. Work under NASA grant NAG1-1808 has been concerned with the development of variable complexity modeling strategies with special emphasis on response surface techniques. In addition several modeling issues for the design of shells of revolution were studied.

Structure-based discovery and binding site analysis of histamine receptor ligands.

PubMed

Kiss, Róbert; Keserű, György M

2016-12-01

The application of structure-based drug discovery in histamine receptor projects was previously hampered by the lack of experimental structures. The publication of the first X-ray structure of the histamine H1 receptor has been followed by several successful virtual screens and binding site analysis studies of H1-antihistamines. This structure together with several other recently solved aminergic G-protein coupled receptors (GPCRs) enabled the development of more realistic homology models for H2, H3 and H4 receptors. Areas covered: In this paper, the authors review the development of histamine receptor models and their application in drug discovery. Expert opinion: In the authors' opinion, the application of atomistic histamine receptor models has played a significant role in understanding key ligand-receptor interactions as well as in the discovery of novel chemical starting points. The recently solved H1 receptor structure is a major milestone in structure-based drug discovery; however, our analysis also demonstrates that for building H3 and H4 receptor homology models, other GPCRs may be more suitable as templates. For these receptors, the authors envisage that the development of higher quality homology models will significantly contribute to the discovery and optimization of novel H3 and H4 ligands.

Virtual Levels and Role Models: N-Level Structural Equations Model of Reciprocal Ratings Data.

PubMed

Mehta, Paras D

2018-01-01

A general latent variable modeling framework called n-Level Structural Equations Modeling (NL-SEM) for dependent data-structures is introduced. NL-SEM is applicable to a wide range of complex multilevel data-structures (e.g., cross-classified, switching membership, etc.). Reciprocal dyadic ratings obtained in round-robin design involve complex set of dependencies that cannot be modeled within Multilevel Modeling (MLM) or Structural Equations Modeling (SEM) frameworks. The Social Relations Model (SRM) for round robin data is used as an example to illustrate key aspects of the NL-SEM framework. NL-SEM introduces novel constructs such as 'virtual levels' that allows a natural specification of latent variable SRMs. An empirical application of an explanatory SRM for personality using xxM, a software package implementing NL-SEM is presented. Results show that person perceptions are an integral aspect of personality. Methodological implications of NL-SEM for the analyses of an emerging class of contextual- and relational-SEMs are discussed.

Analysis of shell-type structures subjected to time-dependent mechanical and thermal loading

NASA Technical Reports Server (NTRS)

Simitses, George J.

1990-01-01

The development of a general mathematical model and solution methodologies for analyzing structural response of thin, metallic shell-like structures under dynamic and/or static thermomechanical loads is examined. In the mathematical model, geometric as well as material-type of nonlinearities are considered. Traditional as well as novel approaches are reported and detailed applications are presented in the appendices. The emphasis for the mathematical model, the related solution schemes, and the applications, is on thermal viscoelastic and viscoplastic phenomena, which can predict creep and ratchetting.

Analysis of shell-type structures subjected to time-dependent mechanical and thermal loading

NASA Technical Reports Server (NTRS)

Simitses, G. J.

1991-01-01

This report deals with the development of a general mathematical model and solution methodology for analyzing the structural response of thin, metallic shell-like structures under dynamic and/or static thermomechanical loads. In the mathematical model, geometric as well as the material-type of nonlinearities are considered. Traditional as well as novel approaches are reported and detailed applications are presented in the appendices. The emphasis for the mathematical model, the related solution schemes, and the applications, is on thermal viscoelastic and viscoplastic phenomena, which can predict creep and ratchetting.

Computer-Aided Geometry Modeling

NASA Technical Reports Server (NTRS)

Shoosmith, J. N. (Compiler); Fulton, R. E. (Compiler)

1984-01-01

Techniques in computer-aided geometry modeling and their application are addressed. Mathematical modeling, solid geometry models, management of geometric data, development of geometry standards, and interactive and graphic procedures are discussed. The applications include aeronautical and aerospace structures design, fluid flow modeling, and gas turbine design.

Application of Lanczos vectors to control design of flexible structures

NASA Technical Reports Server (NTRS)

Craig, Roy R., Jr.; Su, Tzu-Jeng

1990-01-01

This report covers research conducted during the first year of the two-year grant. The research, entitled 'Application of Lanczos Vectors to Control Design of Flexible Structures' concerns various ways to obtain reduced-order mathematical models for use in dynamic response analyses and in control design studies. This report summarizes research described in several reports and papers that were written under this contract. Extended abstracts are presented for technical papers covering the following topics: controller reduction by preserving impulse response energy; substructuring decomposition and controller synthesis; model reduction methods for structural control design; and recent literature on structural modeling, identification, and analysis.

RINGMesh: A programming library for developing mesh-based geomodeling applications

NASA Astrophysics Data System (ADS)

Pellerin, Jeanne; Botella, Arnaud; Bonneau, François; Mazuyer, Antoine; Chauvin, Benjamin; Lévy, Bruno; Caumon, Guillaume

2017-07-01

RINGMesh is a C++ open-source programming library for manipulating discretized geological models. It is designed to ease the development of applications and workflows that use discretized 3D models. It is neither a geomodeler, nor a meshing software. RINGMesh implements functionalities to read discretized surface-based or volumetric structural models and to check their validity. The models can be then exported in various file formats. RINGMesh provides data structures to represent geological structural models, either defined by their discretized boundary surfaces, and/or by discretized volumes. A programming interface allows to develop of new geomodeling methods, and to plug in external software. The goal of RINGMesh is to help researchers to focus on the implementation of their specific method rather than on tedious tasks common to many applications. The documented code is open-source and distributed under the modified BSD license. It is available at https://www.ring-team.org/index.php/software/ringmesh.

USING STRUCTURAL EQUATION MODELING TO INVESTIGATE RELATIONSHIPS AMONG ECOLOGICAL VARIABLES

EPA Science Inventory

This paper gives an introductory account of Structural Equation Modeling (SEM) and demonstrates its application using LISREL< with a model utilizing environmental data. Using nine EMAP data variables, we analyzed their correlation matrix with an SEM model. The model characterized...

Annotated bibliography of structural equation modelling: technical work.

PubMed

Austin, J T; Wolfle, L M

1991-05-01

Researchers must be familiar with a variety of source literature to facilitate the informed use of structural equation modelling. Knowledge can be acquired through the study of an expanding literature found in a diverse set of publishing forums. We propose that structural equation modelling publications can be roughly classified into two groups: (a) technical and (b) substantive applications. Technical materials focus on the procedures rather than substantive conclusions derived from applications. The focus of this article is the former category; included are foundational/major contributions, minor contributions, critical and evaluative reviews, integrations, simulations and computer applications, precursor and historical material, and pedagogical textbooks. After a brief introduction, we annotate 294 articles in the technical category dating back to Sewall Wright (1921).

Parameter estimation in a structural acoustic system with fully nonlinear coupling conditions

NASA Technical Reports Server (NTRS)

Banks, H. T.; Smith, Ralph C.

1994-01-01

A methodology for estimating physical parameters in a class of structural acoustic systems is presented. The general model under consideration consists of an interior cavity which is separated from an exterior noise source by an enclosing elastic structure. Piezoceramic patches are bonded to or embedded in the structure; these can be used both as actuators and sensors in applications ranging from the control of interior noise levels to the determination of structural flaws through nondestructive evaluation techniques. The presence and excitation of patches, however, changes the geometry and material properties of the structure as well as involves unknown patch parameters, thus necessitating the development of parameter estimation techniques which are applicable in this coupled setting. In developing a framework for approximation, parameter estimation and implementation, strong consideration is given to the fact that the input operator is unbonded due to the discrete nature of the patches. Moreover, the model is weakly nonlinear. As a result of the coupling mechanism between the structural vibrations and the interior acoustic dynamics. Within this context, an illustrating model is given, well-posedness and approximations results are discussed and an applicable parameter estimation methodology is presented. The scheme is then illustrated through several numerical examples with simulations modeling a variety of commonly used structural acoustic techniques for systems excitations and data collection.

The Various Applications of 3D Printing in Cardiovascular Diseases.

PubMed

El Sabbagh, Abdallah; Eleid, Mackram F; Al-Hijji, Mohammed; Anavekar, Nandan S; Holmes, David R; Nkomo, Vuyisile T; Oderich, Gustavo S; Cassivi, Stephen D; Said, Sameh M; Rihal, Charanjit S; Matsumoto, Jane M; Foley, Thomas A

2018-05-10

To highlight the various applications of 3D printing in cardiovascular disease and discuss its limitations and future direction. Use of handheld 3D printed models of cardiovascular structures has emerged as a facile modality in procedural and surgical planning as well as education and communication. Three-dimensional (3D) printing is a novel imaging modality which involves creating patient-specific models of cardiovascular structures. As percutaneous and surgical therapies evolve, spatial recognition of complex cardiovascular anatomic relationships by cardiologists and cardiovascular surgeons is imperative. Handheld 3D printed models of cardiovascular structures provide a facile and intuitive road map for procedural and surgical planning, complementing conventional imaging modalities. Moreover, 3D printed models are efficacious educational and communication tools. This review highlights the various applications of 3D printing in cardiovascular diseases and discusses its limitations and future directions.

CCBuilder 2.0: Powerful and accessible coiled-coil modeling.

PubMed

Wood, Christopher W; Woolfson, Derek N

2018-01-01

The increased availability of user-friendly and accessible computational tools for biomolecular modeling would expand the reach and application of biomolecular engineering and design. For protein modeling, one key challenge is to reduce the complexities of 3D protein folds to sets of parametric equations that nonetheless capture the salient features of these structures accurately. At present, this is possible for a subset of proteins, namely, repeat proteins. The α-helical coiled coil provides one such example, which represents ≈ 3-5% of all known protein-encoding regions of DNA. Coiled coils are bundles of α helices that can be described by a small set of structural parameters. Here we describe how this parametric description can be implemented in an easy-to-use web application, called CCBuilder 2.0, for modeling and optimizing both α-helical coiled coils and polyproline-based collagen triple helices. This has many applications from providing models to aid molecular replacement for X-ray crystallography, in silico model building and engineering of natural and designed protein assemblies, and through to the creation of completely de novo "dark matter" protein structures. CCBuilder 2.0 is available as a web-based application, the code for which is open-source and can be downloaded freely. http://coiledcoils.chm.bris.ac.uk/ccbuilder2. We have created CCBuilder 2.0, an easy to use web-based application that can model structures for a whole class of proteins, the α-helical coiled coil, which is estimated to account for 3-5% of all proteins in nature. CCBuilder 2.0 will be of use to a large number of protein scientists engaged in fundamental studies, such as protein structure determination, through to more-applied research including designing and engineering novel proteins that have potential applications in biotechnology. © 2017 The Authors Protein Science published by Wiley Periodicals, Inc. on behalf of The Protein Society.

CCBuilder 2.0: Powerful and accessible coiled‐coil modeling

PubMed Central

Wood, Christopher W.

2017-01-01

Abstract The increased availability of user‐friendly and accessible computational tools for biomolecular modeling would expand the reach and application of biomolecular engineering and design. For protein modeling, one key challenge is to reduce the complexities of 3D protein folds to sets of parametric equations that nonetheless capture the salient features of these structures accurately. At present, this is possible for a subset of proteins, namely, repeat proteins. The α‐helical coiled coil provides one such example, which represents ≈ 3–5% of all known protein‐encoding regions of DNA. Coiled coils are bundles of α helices that can be described by a small set of structural parameters. Here we describe how this parametric description can be implemented in an easy‐to‐use web application, called CCBuilder 2.0, for modeling and optimizing both α‐helical coiled coils and polyproline‐based collagen triple helices. This has many applications from providing models to aid molecular replacement for X‐ray crystallography, in silico model building and engineering of natural and designed protein assemblies, and through to the creation of completely de novo “dark matter” protein structures. CCBuilder 2.0 is available as a web‐based application, the code for which is open‐source and can be downloaded freely. http://coiledcoils.chm.bris.ac.uk/ccbuilder2. Lay Summary We have created CCBuilder 2.0, an easy to use web‐based application that can model structures for a whole class of proteins, the α‐helical coiled coil, which is estimated to account for 3–5% of all proteins in nature. CCBuilder 2.0 will be of use to a large number of protein scientists engaged in fundamental studies, such as protein structure determination, through to more‐applied research including designing and engineering novel proteins that have potential applications in biotechnology. PMID:28836317

Application Perspective of 2D+SCALE Dimension

NASA Astrophysics Data System (ADS)

Karim, H.; Rahman, A. Abdul

2016-09-01

Different applications or users need different abstraction of spatial models, dimensionalities and specification of their datasets due to variations of required analysis and output. Various approaches, data models and data structures are now available to support most current application models in Geographic Information System (GIS). One of the focuses trend in GIS multi-dimensional research community is the implementation of scale dimension with spatial datasets to suit various scale application needs. In this paper, 2D spatial datasets that been scaled up as the third dimension are addressed as 2D+scale (or 3D-scale) dimension. Nowadays, various data structures, data models, approaches, schemas, and formats have been proposed as the best approaches to support variety of applications and dimensionality in 3D topology. However, only a few of them considers the element of scale as their targeted dimension. As the scale dimension is concerned, the implementation approach can be either multi-scale or vario-scale (with any available data structures and formats) depending on application requirements (topology, semantic and function). This paper attempts to discuss on the current and new potential applications which positively could be integrated upon 3D-scale dimension approach. The previous and current works on scale dimension as well as the requirements to be preserved for any given applications, implementation issues and future potential applications forms the major discussion of this paper.

Dynamic Analyses Including Joints Of Truss Structures

NASA Technical Reports Server (NTRS)

Belvin, W. Keith

1991-01-01

Method for mathematically modeling joints to assess influences of joints on dynamic response of truss structures developed in study. Only structures with low-frequency oscillations considered; only Coulomb friction and viscous damping included in analysis. Focus of effort to obtain finite-element mathematical models of joints exhibiting load-vs.-deflection behavior similar to measured load-vs.-deflection behavior of real joints. Experiments performed to determine stiffness and damping nonlinearities typical of joint hardware. Algorithm for computing coefficients of analytical joint models based on test data developed to enable study of linear and nonlinear effects of joints on global structural response. Besides intended application to large space structures, applications in nonaerospace community include ground-based antennas and earthquake-resistant steel-framed buildings.

A brief overview of the theory and application of the optimal control model of the human operator

NASA Technical Reports Server (NTRS)

Sheldon, B.

1979-01-01

The underlying motivation and concepts are presented, along with a review of the development and application of the model. The structure of the model is described and results validating the model are presented.

A Maximum Likelihood Approach for Multisample Nonlinear Structural Equation Models with Missing Continuous and Dichotomous Data

ERIC Educational Resources Information Center

Song, Xin-Yuan; Lee, Sik-Yum

2006-01-01

Structural equation models are widely appreciated in social-psychological research and other behavioral research to model relations between latent constructs and manifest variables and to control for measurement error. Most applications of SEMs are based on fully observed continuous normal data and models with a linear structural equation.…

Applying Structural Equation Modeling in the Context of the Theory of Reasoned Action: Some Problems and Solutions.

ERIC Educational Resources Information Center

van den Putte, Bas; Hoogstraten, Johan

1997-01-01

Problems found in the application of structural equation modeling to the theory of reasoned action are explored, and an alternative model specification is proposed that improves the fit of the data while leaving intact the structural part of the model being tested. Problems and the proposed alternative are illustrated. (SLD)

Analysis of Wave Propagation in Stratified Structures Using Circuit Analogues, with Application to Electromagnetic Absorbers

ERIC Educational Resources Information Center

Sjoberg, Daniel

2008-01-01

This paper presents an overview of how circuit models can be used for analysing wave propagation in stratified structures. Relatively complex structures can be analysed using models which are accessible to undergraduate students. Homogeneous slabs are modelled as transmission lines, and thin sheets between the slabs are modelled as lumped…

Combined DFT and BS study on the exchange coupling of dinuclear sandwich-type POM: comparison of different functionals and reliability of structure modeling.

PubMed

Yin, Bing; Xue, GangLin; Li, JianLi; Bai, Lu; Huang, YuanHe; Wen, ZhenYi; Jiang, ZhenYi

2012-05-01

The exchange coupling of a group of three dinuclear sandwich-type polyoxomolybdates [MM'(AsMo7O27)2](12-) with MM' = CrCr, FeFe, FeCr are theoretically predicted from combined DFT and broken-symmetry (BS) approach. Eight different XC functionals are utilized to calculate the exchange-coupling constant J from both the full crystalline structures and model structures of smaller size. The comparison between theoretical values and accurate experimental results supports the applicability of DFT-BS method in this new type of sandwich-type dinuclear polyoxomolybdates. However, a careful choice of functionals is necessary to achieve the desired accuracy. The encouraging results obtained from calculations on model structures highlight the great potential of application of structure modeling in theoretical study of POM. Structural modeling may not only reduce the computational cost of large POM species but also be able to take into account the external field effect arising from solvent molecules in solution or counterions in crystal.

Concept-based query language approach to enterprise information systems

NASA Astrophysics Data System (ADS)

Niemi, Timo; Junkkari, Marko; Järvelin, Kalervo

2014-01-01

In enterprise information systems (EISs) it is necessary to model, integrate and compute very diverse data. In advanced EISs the stored data often are based both on structured (e.g. relational) and semi-structured (e.g. XML) data models. In addition, the ad hoc information needs of end-users may require the manipulation of data-oriented (structural), behavioural and deductive aspects of data. Contemporary languages capable of treating this kind of diversity suit only persons with good programming skills. In this paper we present a concept-oriented query language approach to manipulate this diversity so that the programming skill requirements are considerably reduced. In our query language, the features which need technical knowledge are hidden in application-specific concepts and structures. Therefore, users need not be aware of the underlying technology. Application-specific concepts and structures are represented by the modelling primitives of the extended RDOOM (relational deductive object-oriented modelling) which contains primitives for all crucial real world relationships (is-a relationship, part-of relationship, association), XML documents and views. Our query language also supports intensional and extensional-intensional queries, in addition to conventional extensional queries. In its query formulation, the end-user combines available application-specific concepts and structures through shared variables.

A review of model applications for structured soils: b) Pesticide transport.

PubMed

Köhne, John Maximilian; Köhne, Sigrid; Simůnek, Jirka

2009-02-16

The past decade has seen considerable progress in the development of models simulating pesticide transport in structured soils subject to preferential flow (PF). Most PF pesticide transport models are based on the two-region concept and usually assume one (vertical) dimensional flow and transport. Stochastic parameter sets are sometimes used to account for the effects of spatial variability at the field scale. In the past decade, PF pesticide models were also coupled with Geographical Information Systems (GIS) and groundwater flow models for application at the catchment and larger regional scales. A review of PF pesticide model applications reveals that the principal difficulty of their application is still the appropriate parameterization of PF and pesticide processes. Experimental solution strategies involve improving measurement techniques and experimental designs. Model strategies aim at enhancing process descriptions, studying parameter sensitivity, uncertainty, inverse parameter identification, model calibration, and effects of spatial variability, as well as generating model emulators and databases. Model comparison studies demonstrated that, after calibration, PF pesticide models clearly outperform chromatographic models for structured soils. Considering nonlinear and kinetic sorption reactions further enhanced the pesticide transport description. However, inverse techniques combined with typically available experimental data are often limited in their ability to simultaneously identify parameters for describing PF, sorption, degradation and other processes. On the other hand, the predictive capacity of uncalibrated PF pesticide models currently allows at best an approximate (order-of-magnitude) estimation of concentrations. Moreover, models should target the entire soil-plant-atmosphere system, including often neglected above-ground processes such as pesticide volatilization, interception, sorption to plant residues, root uptake, and losses by runoff. The conclusions compile progress, problems, and future research choices for modelling pesticide displacement in structured soils.

Modeling of polymer networks for application to solid propellant formulating

NASA Technical Reports Server (NTRS)

Marsh, H. E.

1979-01-01

Methods for predicting the network structural characteristics formed by the curing of pourable elastomers were presented; as well as the logic which was applied in the development of mathematical models. A universal approach for modeling was developed and verified by comparison with other methods in application to a complex system. Several applications of network models to practical problems are described.

A new 3D immersed boundary method for non-Newtonian fluid-structure-interaction with application

NASA Astrophysics Data System (ADS)

Zhu, Luoding

2017-11-01

Motivated by fluid-structure-interaction (FSI) phenomena in life sciences (e.g., motions of sperm and cytoskeleton in complex fluids), we introduce a new immersed boundary method for FSI problems involving non-Newtonian fluids in three dimensions. The non-Newtonian fluids are modelled by the FENE-P model (including the Oldroyd-B model as an especial case) and numerically solved by a lattice Boltzmann scheme (the D3Q7 model). The fluid flow is modelled by the lattice Boltzmann equations and numerically solved by the D3Q19 model. The deformable structure and the fluid-structure-interaction are handled by the immersed boundary method. As an application, we study a FSI toy problem - interaction of an elastic plate (flapped at its leading edge and restricted nowhere else) with a non-Newtonian fluid in a 3D flow. Thanks to the support of NSF-DMS support under research Grant 1522554.

Parallel LC circuit model for multi-band absorption and preliminary design of radiative cooling.

PubMed

Feng, Rui; Qiu, Jun; Liu, Linhua; Ding, Weiqiang; Chen, Lixue

2014-12-15

We perform a comprehensive analysis of multi-band absorption by exciting magnetic polaritons in the infrared region. According to the independent properties of the magnetic polaritons, we propose a parallel inductance and capacitance(PLC) circuit model to explain and predict the multi-band resonant absorption peaks, which is fully validated by using the multi-sized structure with identical dielectric spacing layer and the multilayer structure with the same strip width. More importantly, we present the application of the PLC circuit model to preliminarily design a radiative cooling structure realized by merging several close peaks together. This omnidirectional and polarization insensitive structure is a good candidate for radiative cooling application.

A PDE-based methodology for modeling, parameter estimation and feedback control in structural and structural acoustic systems

NASA Technical Reports Server (NTRS)

Banks, H. T.; Brown, D. E.; Metcalf, Vern L.; Silcox, R. J.; Smith, Ralph C.; Wang, Yun

1994-01-01

A problem of continued interest concerns the control of vibrations in a flexible structure and the related problem of reducing structure-borne noise in structural acoustic systems. In both cases, piezoceramic patches bonded to the structures have been successfully used as control actuators. Through the application of a controlling voltage, the patches can be used to reduce structural vibrations which in turn lead to methods for reducing structure-borne noise. A PDE-based methodology for modeling, estimating physical parameters, and implementing a feedback control scheme for problems of this type is discussed. While the illustrating example is a circular plate, the methodology is sufficiently general so as to be applicable in a variety of structural and structural acoustic systems.

DISTING: A web application for fast algorithmic computation of alternative indistinguishable linear compartmental models.

PubMed

Davidson, Natalie R; Godfrey, Keith R; Alquaddoomi, Faisal; Nola, David; DiStefano, Joseph J

2017-05-01

We describe and illustrate use of DISTING, a novel web application for computing alternative structurally identifiable linear compartmental models that are input-output indistinguishable from a postulated linear compartmental model. Several computer packages are available for analysing the structural identifiability of such models, but DISTING is the first to be made available for assessing indistinguishability. The computational algorithms embedded in DISTING are based on advanced versions of established geometric and algebraic properties of linear compartmental models, embedded in a user-friendly graphic model user interface. Novel computational tools greatly speed up the overall procedure. These include algorithms for Jacobian matrix reduction, submatrix rank reduction, and parallelization of candidate rank computations in symbolic matrix analysis. The application of DISTING to three postulated models with respectively two, three and four compartments is given. The 2-compartment example is used to illustrate the indistinguishability problem; the original (unidentifiable) model is found to have two structurally identifiable models that are indistinguishable from it. The 3-compartment example has three structurally identifiable indistinguishable models. It is found from DISTING that the four-compartment example has five structurally identifiable models indistinguishable from the original postulated model. This example shows that care is needed when dealing with models that have two or more compartments which are neither perturbed nor observed, because the numbering of these compartments may be arbitrary. DISTING is universally and freely available via the Internet. It is easy to use and circumvents tedious and complicated algebraic analysis previously done by hand. Copyright © 2017 Elsevier B.V. All rights reserved.

Information-System Structure by Communication-Technology Concepts: A Cybernetic Model Approach.

ERIC Educational Resources Information Center

Reisig, Gerhard H. R.

1978-01-01

Presents the "Evidence-of-Existence" information system in which the structure is developed, with application of cybernetic concepts, as an isomorphic model in analogy to the system structure of communication technology. Three criteria of structuring are postulated: (1) source-channel-sink, with input-output characteristics, (2) filter-type…

New applications of a model of electromechanical impedance for SHM

NASA Astrophysics Data System (ADS)

Pavelko, Vitalijs

2014-03-01

The paper focuses on the further development of the model of the electromechanical impedance (EMI) of the piezoceramics transducer (PZT) and its application for aircraft structural health monitoring (SHM). There was obtained an expression of the electromechanical impedance common to any dimension of models (1D, 2D, 3D), and directly independent from imposed constraints. Determination of the dynamic response of the system "host structure - PZT", which is crucial for the practical application supposes the use of modal analysis. This allows to get a general tool to determine EMI regardless of the specific features of a particular application. Earlier there was considered the technology of separate determination of the dynamic response for the PZT and the structural element". Here another version that involves the joint modal analysis of the entire system "host structure - PZT" is presented. As a result, the dynamic response is obtained in the form of modal decomposition of transducer mechanical strains. The use of models for the free and constrained transducer, analysis of the impact of the adhesive layer to the EMI is demonstrated. In all cases there was analyzed the influence of the dimension of the model (2D and 3D). The validity of the model is confirmed by experimental studies. Correlation between the fatigue crack length in a thin-walled Al plate and EMI of embedded PZT was simulated and compared with test result.

Automatic Dynamic Aircraft Modeler (ADAM) for the Computer Program NASTRAN

NASA Technical Reports Server (NTRS)

Griffis, H.

1985-01-01

Large general purpose finite element programs require users to develop large quantities of input data. General purpose pre-processors are used to decrease the effort required to develop structural models. Further reduction of effort can be achieved by specific application pre-processors. Automatic Dynamic Aircraft Modeler (ADAM) is one such application specific pre-processor. General purpose pre-processors use points, lines and surfaces to describe geometric shapes. Specifying that ADAM is used only for aircraft structures allows generic structural sections, wing boxes and bodies, to be pre-defined. Hence with only gross dimensions, thicknesses, material properties and pre-defined boundary conditions a complete model of an aircraft can be created.

Snow Micro-Structure Model

DOE Office of Scientific and Technical Information (OSTI.GOV)

Micah Johnson, Andrew Slaughter

PIKA is a MOOSE-based application for modeling micro-structure evolution of seasonal snow. The model will be useful for environmental, atmospheric, and climate scientists. Possible applications include application to energy balance models, ice sheet modeling, and avalanche forecasting. The model implements physics from published, peer-reviewed articles. The main purpose is to foster university and laboratory collaboration to build a larger multi-scale snow model using MOOSE. The main feature of the code is that it is implemented using the MOOSE framework, thus making features such as multiphysics coupling, adaptive mesh refinement, and parallel scalability native to the application. PIKA implements three equations:more » the phase-field equation for tracking the evolution of the ice-air interface within seasonal snow at the grain-scale; the heat equation for computing the temperature of both the ice and air within the snow; and the mass transport equation for monitoring the diffusion of water vapor in the pore space of the snow.« less

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

PubMed

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.

Three-dimensional Printed Cardiac Models: Applications in the Field of Medical Education, Cardiovascular Surgery, and Structural Heart Interventions.

PubMed

Valverde, Israel

2017-04-01

In recent years, three-dimensional (3D) printed models have been incorporated into cardiology because of their potential usefulness in enhancing understanding of congenital heart disease, surgical planning, and simulation of structural percutaneous interventions. This review provides an introduction to 3D printing technology and identifies the elements needed to construct a 3D model: the types of imaging modalities that can be used, their minimum quality requirements, and the kinds of 3D printers available. The review also assesses the usefulness of 3D printed models in medical education, specialist physician training, and patient communication. We also review the most recent applications of 3D models in surgical planning and simulation of percutaneous structural heart interventions. Finally, the current limitations of 3D printing and its future directions are discussed to explore potential new applications in this exciting medical field. Copyright © 2016 Sociedad Española de Cardiología. Published by Elsevier España, S.L.U. All rights reserved.

The diagram of phase-field crystal structures: an influence of model parameters in a two-mode approximation

NASA Astrophysics Data System (ADS)

Ankudinov, V.; Galenko, P. K.

2017-04-01

Effect of phase-field crystal model (PFC-model) parameters on the structure diagram is analyzed. The PFC-model is taken in a two-mode approximation and the construction of structure diagram follows from the free energy minimization and Maxwell thermodynamic rule. The diagram of structure’s coexistence for three dimensional crystal structures [Body-Centered-Cubic (BCC), Face-Centered-Cubic (FCC) and homogeneous structures] are constructed. An influence of the model parameters, including the stability parameters, are discussed. A question about the structure diagram construction using the two-mode PFC-model with the application to real materials is established.

Estimating the Term Structure With a Semiparametric Bayesian Hierarchical Model: An Application to Corporate Bonds.

PubMed

Cruz-Marcelo, Alejandro; Ensor, Katherine B; Rosner, Gary L

2011-06-01

The term structure of interest rates is used to price defaultable bonds and credit derivatives, as well as to infer the quality of bonds for risk management purposes. We introduce a model that jointly estimates term structures by means of a Bayesian hierarchical model with a prior probability model based on Dirichlet process mixtures. The modeling methodology borrows strength across term structures for purposes of estimation. The main advantage of our framework is its ability to produce reliable estimators at the company level even when there are only a few bonds per company. After describing the proposed model, we discuss an empirical application in which the term structure of 197 individual companies is estimated. The sample of 197 consists of 143 companies with only one or two bonds. In-sample and out-of-sample tests are used to quantify the improvement in accuracy that results from approximating the term structure of corporate bonds with estimators by company rather than by credit rating, the latter being a popular choice in the financial literature. A complete description of a Markov chain Monte Carlo (MCMC) scheme for the proposed model is available as Supplementary Material.

Estimating the Term Structure With a Semiparametric Bayesian Hierarchical Model: An Application to Corporate Bonds1

PubMed Central

Cruz-Marcelo, Alejandro; Ensor, Katherine B.; Rosner, Gary L.

2011-01-01

The term structure of interest rates is used to price defaultable bonds and credit derivatives, as well as to infer the quality of bonds for risk management purposes. We introduce a model that jointly estimates term structures by means of a Bayesian hierarchical model with a prior probability model based on Dirichlet process mixtures. The modeling methodology borrows strength across term structures for purposes of estimation. The main advantage of our framework is its ability to produce reliable estimators at the company level even when there are only a few bonds per company. After describing the proposed model, we discuss an empirical application in which the term structure of 197 individual companies is estimated. The sample of 197 consists of 143 companies with only one or two bonds. In-sample and out-of-sample tests are used to quantify the improvement in accuracy that results from approximating the term structure of corporate bonds with estimators by company rather than by credit rating, the latter being a popular choice in the financial literature. A complete description of a Markov chain Monte Carlo (MCMC) scheme for the proposed model is available as Supplementary Material. PMID:21765566

Factors that Affect Mathematics-Science (MS) Scores in the Secondary Education Institutional Exam: An Application of Structural Equation Modeling

ERIC Educational Resources Information Center

Yavuz, Mustafa

2009-01-01

Discovering what determines students' success in the Secondary Education Institutional Exam is very important to parents and it is also critical for students, teachers, directors, and researchers. Research was carried out by studying the related literature and structural equation modeling techniques. A structural model was created that consisted…

Applicability of Similarity Principles to Structural Models

NASA Technical Reports Server (NTRS)

Goodier, J N; Thomson, W T

1944-01-01

A systematic account is given in part I of the use of dimensional analysis in constructing similarity conditions for models and structures. The analysis covers large deflections, buckling, plastic behavior, and materials with nonlinear stress-strain characteristics, as well as the simpler structural problems. (author)

The NASA/industry Design Analysis Methods for Vibrations (DAMVIBS) program: McDonnell-Douglas Helicopter Company achievements

NASA Technical Reports Server (NTRS)

Toossi, Mostafa; Weisenburger, Richard; Hashemi-Kia, Mostafa

1993-01-01

This paper presents a summary of some of the work performed by McDonnell Douglas Helicopter Company under NASA Langley-sponsored rotorcraft structural dynamics program known as DAMVIBS (Design Analysis Methods for VIBrationS). A set of guidelines which is applicable to dynamic modeling, analysis, testing, and correlation of both helicopter airframes and a large variety of structural finite element models is presented. Utilization of these guidelines and the key features of their applications to vibration modeling of helicopter airframes are discussed. Correlation studies with the test data, together with the development and applications of a set of efficient finite element model checkout procedures, are demonstrated on a large helicopter airframe finite element model. Finally, the lessons learned and the benefits resulting from this program are summarized.

Study of plasma-based stable and ultra-wideband electromagnetic wave absorption for stealth application

NASA Astrophysics Data System (ADS)

Xuyang, CHEN; Fangfang, SHEN; Yanming, LIU; Wei, AI; Xiaoping, LI

2018-06-01

A plasma-based stable, ultra-wideband electromagnetic (EM) wave absorber structure is studied in this paper for stealth applications. The stability is maintained by a multi-layer structure with several plasma layers and dielectric layers distributed alternately. The plasma in each plasma layer is designed to be uniform, whereas it has a discrete nonuniform distribution from the overall view of the structure. The nonuniform distribution of the plasma is the key to obtaining ultra-wideband wave absorption. A discrete Epstein distribution model is put forward to constrain the nonuniform electron density of the plasma layers, by which the wave absorption range is extended to the ultra-wideband. Then, the scattering matrix method (SMM) is employed to analyze the electromagnetic reflection and absorption of the absorber structure. In the simulation, the validation of the proposed structure and model in ultra-wideband EM wave absorption is first illustrated by comparing the nonuniform plasma model with the uniform case. Then, the influence of various parameters on the EM wave reflection of the plasma are simulated and analyzed in detail, verifying the EM wave absorption performance of the absorber. The proposed structure and model are expected to be superior in some realistic applications, such as supersonic aircraft.

Structure Detection of Nonlinear Aeroelastic Systems with Application to Aeroelastic Flight Test Data. Part 2

NASA Technical Reports Server (NTRS)

Kukreja, Sunil L.; Brenner, martin J.

2006-01-01

This viewgraph presentation reviews the 1. Motivation for the study 2. Nonlinear Model Form 3. Structure Detection 4. Least Absolute Shrinkage and Selection Operator (LASSO) 5. Objectives 6. Results 7. Assess LASSO as a Structure Detection Tool: Simulated Nonlinear Models 8. Applicability to Complex Systems: F/A-18 Active Aeroelastic Wing Flight Test Data. The authors conclude that 1. this is a novel approach for detecting the structure of highly over-parameterised nonlinear models in situations where other methods may be inadequate 2. that it is a practical significance in the analysis of aircraft dynamics during envelope expansion and could lead to more efficient control strategies and 3. this could allow greater insight into the functionality of various systems dynamics, by providing a quantitative model which is easily interpretable

An Action-Based Fine-Grained Access Control Mechanism for Structured Documents and Its Application

PubMed Central

Su, Mang; Li, Fenghua; Tang, Zhi; Yu, Yinyan; Zhou, Bo

2014-01-01

This paper presents an action-based fine-grained access control mechanism for structured documents. Firstly, we define a describing model for structured documents and analyze the application scenarios. The describing model could support the permission management on chapters, pages, sections, words, and pictures of structured documents. Secondly, based on the action-based access control (ABAC) model, we propose a fine-grained control protocol for structured documents by introducing temporal state and environmental state. The protocol covering different stages from document creation, to permission specification and usage control are given by using the Z-notation. Finally, we give the implementation of our mechanism and make the comparisons between the existing methods and our mechanism. The result shows that our mechanism could provide the better solution of fine-grained access control for structured documents in complicated networks. Moreover, it is more flexible and practical. PMID:25136651

An action-based fine-grained access control mechanism for structured documents and its application.

PubMed

Su, Mang; Li, Fenghua; Tang, Zhi; Yu, Yinyan; Zhou, Bo

2014-01-01

This paper presents an action-based fine-grained access control mechanism for structured documents. Firstly, we define a describing model for structured documents and analyze the application scenarios. The describing model could support the permission management on chapters, pages, sections, words, and pictures of structured documents. Secondly, based on the action-based access control (ABAC) model, we propose a fine-grained control protocol for structured documents by introducing temporal state and environmental state. The protocol covering different stages from document creation, to permission specification and usage control are given by using the Z-notation. Finally, we give the implementation of our mechanism and make the comparisons between the existing methods and our mechanism. The result shows that our mechanism could provide the better solution of fine-grained access control for structured documents in complicated networks. Moreover, it is more flexible and practical.

Model structure identification for wastewater treatment simulation based on computational fluid dynamics.

PubMed

Alex, J; Kolisch, G; Krause, K

2002-01-01

The objective of this presented project is to use the results of an CFD simulation to automatically, systematically and reliably generate an appropriate model structure for simulation of the biological processes using CSTR activated sludge compartments. Models and dynamic simulation have become important tools for research but also increasingly for the design and optimisation of wastewater treatment plants. Besides the biological models several cases are reported about the application of computational fluid dynamics ICFD) to wastewater treatment plants. One aim of the presented method to derive model structures from CFD results is to exclude the influence of empirical structure selection to the result of dynamic simulations studies of WWTPs. The second application of the approach developed is the analysis of badly performing treatment plants where the suspicion arises that bad flow behaviour such as short cut flows is part of the problem. The method suggested requires as the first step the calculation of fluid dynamics of the biological treatment step at different loading situations by use of 3-dimensional CFD simulation. The result of this information is used to generate a suitable model structure for conventional dynamic simulation of the treatment plant by use of a number of CSTR modules with a pattern of exchange flows between the tanks automatically. The method is explained in detail and the application to the WWTP Wuppertal Buchenhofen is presented.

Comparative Protein Structure Modeling Using MODELLER

PubMed Central

Webb, Benjamin; Sali, Andrej

2016-01-01

Comparative protein structure modeling predicts the three-dimensional structure of a given protein sequence (target) based primarily on its alignment to one or more proteins of known structure (templates). The prediction process consists of fold assignment, target-template alignment, model building, and model evaluation. This unit describes how to calculate comparative models using the program MODELLER and how to use the ModBase database of such models, and discusses all four steps of comparative modeling, frequently observed errors, and some applications. Modeling lactate dehydrogenase from Trichomonas vaginalis (TvLDH) is described as an example. The download and installation of the MODELLER software is also described. PMID:27322406

Automated dynamic analytical model improvement for damped structures

NASA Technical Reports Server (NTRS)

Fuh, J. S.; Berman, A.

1985-01-01

A method is described to improve a linear nonproportionally damped analytical model of a structure. The procedure finds the smallest changes in the analytical model such that the improved model matches the measured modal parameters. Features of the method are: (1) ability to properly treat complex valued modal parameters of a damped system; (2) applicability to realistically large structural models; and (3) computationally efficiency without involving eigensolutions and inversion of a large matrix.

Flight-vehicle materials, structures, and dynamics - Assessment and future directions. Vol. 5 - Structural dynamics and aeroelasticity

NASA Technical Reports Server (NTRS)

Noor, Ahmed K. (Editor); Venneri, Samuel L. (Editor)

1993-01-01

Various papers on flight vehicle materials, structures, and dynamics are presented. Individual topics addressed include: general modeling methods, component modeling techniques, time-domain computational techniques, dynamics of articulated structures, structural dynamics in rotating systems, structural dynamics in rotorcraft, damping in structures, structural acoustics, structural design for control, structural modeling for control, control strategies for structures, system identification, overall assessment of needs and benefits in structural dynamics and controlled structures. Also discussed are: experimental aeroelasticity in wind tunnels, aeroservoelasticity, nonlinear aeroelasticity, aeroelasticity problems in turbomachines, rotary-wing aeroelasticity with application to VTOL vehicles, computational aeroelasticity, structural dynamic testing and instrumentation.

Automated workflows for data curation and standardization of chemical structures for QSAR modeling

EPA Science Inventory

Large collections of chemical structures and associated experimental data are publicly available, and can be used to build robust QSAR models for applications in different fields. One common concern is the quality of both the chemical structure information and associated experime...

Prediction of 1-octanol solubilities using data from the Open Notebook Science Challenge.

PubMed

Buonaiuto, Michael A; Lang, Andrew S I D

2015-12-01

1-Octanol solubility is important in a variety of applications involving pharmacology and environmental chemistry. Current models are linear in nature and often require foreknowledge of either melting point or aqueous solubility. Here we extend the range of applicability of 1-octanol solubility models by creating a random forest model that can predict 1-octanol solubilities directly from structure. We created a random forest model using CDK descriptors that has an out-of-bag (OOB) R 2 value of 0.66 and an OOB mean squared error of 0.34. The model has been deployed for general use as a Shiny application. The 1-octanol solubility model provides reasonably accurate predictions of the 1-octanol solubility of organic solutes directly from structure. The model was developed under Open Notebook Science conditions which makes it open, reproducible, and as useful as possible.Graphical abstract.

Methods for evaluating the predictive accuracy of structural dynamic models

NASA Technical Reports Server (NTRS)

Hasselman, T. K.; Chrostowski, Jon D.

1990-01-01

Uncertainty of frequency response using the fuzzy set method and on-orbit response prediction using laboratory test data to refine an analytical model are emphasized with respect to large space structures. Two aspects of the fuzzy set approach were investigated relative to its application to large structural dynamics problems: (1) minimizing the number of parameters involved in computing possible intervals; and (2) the treatment of extrema which may occur in the parameter space enclosed by all possible combinations of the important parameters of the model. Extensive printer graphics were added to the SSID code to help facilitate model verification, and an application of this code to the LaRC Ten Bay Truss is included in the appendix to illustrate this graphics capability.

Increasing low frequency sound attenuation using compounded single layer of sonic crystal

NASA Astrophysics Data System (ADS)

Gulia, Preeti; Gupta, Arpan

2018-05-01

Sonic crystals (SC) are man-made periodic structures where sound hard scatterers are arranged in a crystalline manner. SC reduces noise in a particular range of frequencies called as band gap. Sonic crystals have a promising application in noise shielding; however, the application is limited due to the size of structure. Particularly for low frequencies, the structure becomes quite bulky, restricting its practical application. This paper presents a compounded model of SC, which has the same overall area and filling fraction but with increased low frequency sound attenuation. Two cases have been considered, a three layer SC and a compounded single layer SC. Both models have been analyzed using finite element simulation and plane wave expansion method. Band gaps for periodic structures have been obtained using both methods which are in good agreement. Further, sound transmission loss has been evaluated using finite element method. The results demonstrate the use of compounded model of Sonic Crystal for low frequency sound attenuation.

Analysis of the mechanical behavior of single wall carbon nanotubes by a modified molecular structural mechanics model incorporating an advanced chemical force field

NASA Astrophysics Data System (ADS)

Eberhardt, Oliver; Wallmersperger, Thomas

2018-03-01

The outstanding properties of carbon nanotubes (CNTs) keep attracting the attention of researchers from different fields. CNTs are promising candidates for applications e.g. in lightweight construction but also in electronics, medicine and many more. The basis for the realization of the manifold applications is a detailed knowledge of the material properties of the carbon nanotubes. In particular for applications in lightweight constructions or in composites, the knowledge of the mechanical behavior of the CNTs is of vital interest. Hence, a lot of effort is put into the experimental and theoretical determination of the mechanical material properties of CNTs. Due to their small size, special techniques have to be applied. In this research, a modified molecular structural mechanics model for the numerical determination of the mechanical behavior of carbon nanotubes is presented. It uses an advanced approach for the geometrical representation of the CNT structure while the covalent bonds in the CNTs are represented by beam elements. Furthermore, the model is specifically designed to overcome major drawbacks in existing molecular structural mechanics models. This includes energetic consistency with the underlying chemical force field. The model is developed further to enable the application of a more advanced chemical force field representation. The developed model is able to predict, inter alia, the lateral and radial stiffness properties of the CNTs. The results for the lateral stiffness are given and discussed in order to emphasize the progress made with the presented approach.

Some nonlinear damping models in flexible structures

NASA Technical Reports Server (NTRS)

Balakrishnan, A. V.

1988-01-01

A class of nonlinear damping models is introduced with application to flexible flight structures characterized by low damping. Approximate solutions of engineering interest are obtained for the model using the classical averaging technique of Krylov and Bogoliubov. The results should be considered preliminary pending further investigation.

Assessing the applicability of template-based protein docking in the twilight zone.

PubMed

Negroni, Jacopo; Mosca, Roberto; Aloy, Patrick

2014-09-02

The structural modeling of protein interactions in the absence of close homologous templates is a challenging task. Recently, template-based docking methods have emerged to exploit local structural similarities to help ab-initio protocols provide reliable 3D models for protein interactions. In this work, we critically assess the performance of template-based docking in the twilight zone. Our results show that, while it is possible to find templates for nearly all known interactions, the quality of the obtained models is rather limited. We can increase the precision of the models at expenses of coverage, but it drastically reduces the potential applicability of the method, as illustrated by the whole-interactome modeling of nine organisms. Template-based docking is likely to play an important role in the structural characterization of the interaction space, but we still need to improve the repertoire of structural templates onto which we can reliably model protein complexes. Copyright © 2014 Elsevier Ltd. All rights reserved.

Finite element analysis of helicopter structures

NASA Technical Reports Server (NTRS)

Rich, M. J.

1978-01-01

Application of the finite element analysis is now being expanded to three dimensional analysis of mechanical components. Examples are presented for airframe, mechanical components, and composite structure calculations. Data are detailed on the increase of model size, computer usage, and the effect on reducing stress analysis costs. Future applications for use of finite element analysis for helicopter structures are projected.

Track structure model of cell damage in space flight

NASA Technical Reports Server (NTRS)

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.

Predicting strain using forward modelling of restored cross-sections: Application to rollover anticlines over listric normal faults

NASA Astrophysics Data System (ADS)

Poblet, Josep; Bulnes, Mayte

2007-12-01

A strategy to predict strain across geological structures, based on previous techniques, is modified and evaluated, and a practical application is shown. The technique, which employs cross-section restoration combined with kinematic forward modelling, consists of restoring a section, placing circular strain markers on different domains of the restoration, and forward modelling the restored section with strain markers until the present-day stage is reached. The restoration algorithm employed must be also used to forward model the structure. The ellipses in the forward modelled section allow determining the strain state of the structure and may indirectly predict orientation and distribution of minor structures such as small-scale fractures. The forward model may be frozen at different time steps (different growth stages) allowing prediction of both spatial and temporal variation of strain. The method is evaluated through its application to two stages of a clay experiment, that includes strain markers, and its geometry and deformation history are well documented, providing a strong control on the results. To demonstrate the method's potential, it is successfully applied to a depth-converted seismic profile in the Central Sumatra Basin, Indonesia. This allowed us to gain insight into the deformation undergone by rollover anticlines over listric normal faults.

Computerized symbolic manipulation in structural mechanics Progress and potential

NASA Technical Reports Server (NTRS)

Noor, A. K.; Andersen, C. M.

1978-01-01

Status and recent applications of computerized symbolic manipulation to structural mechanics problems are summarized. The applications discussed include; (1) generation of characteristic arrays of finite elements; (2) evaluation of effective stiffness and mass coefficients of continuum models for repetitive lattice structures; and (3) application of Rayleigh-Ritz technique to free vibration analysis of laminated composite elliptic plates. The major advantages of using computerized symbolic manipulation in each of these applications are outlined. A number of problem areas which limit the realization of the full potential of computerized symbolic manipulation in structural mechanics are examined and some of the means of alleviating them are discussed.

20180318 - Automated workflows for data curation and standardization of chemical structures for QSAR modeling (ACS Spring)

EPA Science Inventory

Large collections of chemical structures and associated experimental data are publicly available, and can be used to build robust QSAR models for applications in different fields. One common concern is the quality of both the chemical structure information and associated experime...

Actuator with built-in viscous damping for isolation and structural control

NASA Astrophysics Data System (ADS)

Hyde, T. Tupper; Anderson, Eric H.

1994-05-01

This paper describes the development and experimental application of an actuator with built-in viscous damping. An existing passive damper was modified for use as a novel actuation device for isolation and structural control. The device functions by using the same fluid for viscous damping and as a hydraulic lever for a voice coil actuator. Applications for such an actuator include structural control and active isolation. Lumped parameter models capturing structural and fluid effects are presented. Component tests of free stroke, blocked force, and passive complex stiffness are used to update the assumed model parameters. The structural damping effectiveness of the new actuator is shown to be that of a regular D-strut passively and that of a piezoelectric strut with load cell feedback actively in a complex testbed structure. Open and closed loop results are presented for a force isolation application showing an 8 dB passive and 20 dB active improvement over an undamped mount. An optimized design for a future experimental testbed is developed.

Sea loads on ships and offshore structures

DOE Office of Scientific and Technical Information (OSTI.GOV)

Faltinsen, O.

1990-01-01

The book introduces the theory of the structural loading on ships and offshore structures caused by wind, waves and currents, and goes on to describe the applications of this theory in terms of real structures. The main topics described are linear-wave induced motions, loads on floating structures, numerical methods for ascertaining wave induced motions and loads, viscous wave loads and damping, stationkeeping and water impact and entry. The applications of the theoretical principles are introduced with extensive use of exercises and examples. Applications covered include conventional ships, barges, high speed marine vehicles, semisubmersibles, tension leg platforms, moored or dynamic positionedmore » ships, risers, buoys, fishing nets, jacket structures and gravity platforms. One aim of the book is to provide a physical understanding through simplified mathematical models. In this way one can develop analytical tools to evaluate results from test models, full scale trials or computer simulation, and learns which parameters represent the major contributions and influences on sea loads.« less

Modeling structural change in spatial system dynamics: A Daisyworld example.

PubMed

Neuwirth, C; Peck, A; Simonović, S P

2015-03-01

System dynamics (SD) is an effective approach for helping reveal the temporal behavior of complex systems. Although there have been recent developments in expanding SD to include systems' spatial dependencies, most applications have been restricted to the simulation of diffusion processes; this is especially true for models on structural change (e.g. LULC modeling). To address this shortcoming, a Python program is proposed to tightly couple SD software to a Geographic Information System (GIS). The approach provides the required capacities for handling bidirectional and synchronized interactions of operations between SD and GIS. In order to illustrate the concept and the techniques proposed for simulating structural changes, a fictitious environment called Daisyworld has been recreated in a spatial system dynamics (SSD) environment. The comparison of spatial and non-spatial simulations emphasizes the importance of considering spatio-temporal feedbacks. Finally, practical applications of structural change models in agriculture and disaster management are proposed.

Recursive formulae and performance comparisons for first mode dynamics of periodic structures

NASA Astrophysics Data System (ADS)

Hobeck, Jared D.; Inman, Daniel J.

2017-05-01

Periodic structures are growing in popularity especially in the energy harvesting and metastructures communities. Common types of these unique structures are referred to in the literature as zigzag, orthogonal spiral, fan-folded, and longitudinal zigzag structures. Many of these studies on periodic structures have two competing goals in common: (a) minimizing natural frequency, and (b) minimizing mass or volume. These goals suggest that no single design is best for all applications; therefore, there is a need for design optimization and comparison tools which first require efficient easy-to-implement models. All available structural dynamics models for these types of structures do provide exact analytical solutions; however, they are complex requiring tedious implementation and providing more information than necessary for practical applications making them computationally inefficient. This paper presents experimentally validated recursive models that are able to very accurately and efficiently predict the dynamics of the four most common types of periodic structures. The proposed modeling technique employs a combination of static deflection formulae and Rayleigh’s Quotient to estimate the first mode shape and natural frequency of periodic structures having any number of beams. Also included in this paper are the results of an extensive experimental validation study which show excellent agreement between model prediction and measurement. Lastly, the proposed models are used to evaluate the performance of each type of structure. Results of this performance evaluation reveal key advantages and disadvantages associated with each type of structure.

FragFit: a web-application for interactive modeling of protein segments into cryo-EM density maps.

PubMed

Tiemann, Johanna K S; Rose, Alexander S; Ismer, Jochen; Darvish, Mitra D; Hilal, Tarek; Spahn, Christian M T; Hildebrand, Peter W

2018-05-21

Cryo-electron microscopy (cryo-EM) is a standard method to determine the three-dimensional structures of molecular complexes. However, easy to use tools for modeling of protein segments into cryo-EM maps are sparse. Here, we present the FragFit web-application, a web server for interactive modeling of segments of up to 35 amino acids length into cryo-EM density maps. The fragments are provided by a regularly updated database containing at the moment about 1 billion entries extracted from PDB structures and can be readily integrated into a protein structure. Fragments are selected based on geometric criteria, sequence similarity and fit into a given cryo-EM density map. Web-based molecular visualization with the NGL Viewer allows interactive selection of fragments. The FragFit web-application, accessible at http://proteinformatics.de/FragFit, is free and open to all users, without any login requirements.

Bayesian structural equation modeling: a more flexible representation of substantive theory.

PubMed

Muthén, Bengt; Asparouhov, Tihomir

2012-09-01

This article proposes a new approach to factor analysis and structural equation modeling using Bayesian analysis. The new approach replaces parameter specifications of exact zeros with approximate zeros based on informative, small-variance priors. It is argued that this produces an analysis that better reflects substantive theories. The proposed Bayesian approach is particularly beneficial in applications where parameters are added to a conventional model such that a nonidentified model is obtained if maximum-likelihood estimation is applied. This approach is useful for measurement aspects of latent variable modeling, such as with confirmatory factor analysis, and the measurement part of structural equation modeling. Two application areas are studied, cross-loadings and residual correlations in confirmatory factor analysis. An example using a full structural equation model is also presented, showing an efficient way to find model misspecification. The approach encompasses 3 elements: model testing using posterior predictive checking, model estimation, and model modification. Monte Carlo simulations and real data are analyzed using Mplus. The real-data analyses use data from Holzinger and Swineford's (1939) classic mental abilities study, Big Five personality factor data from a British survey, and science achievement data from the National Educational Longitudinal Study of 1988.

Membrane dish analysis: A summary of structural and optical analysis capabilities

DOE Office of Scientific and Technical Information (OSTI.GOV)

Steele, C.R.; Balch, C.D.; Jorgensen, G.J.

Research at SERI within the Department of Energy's Solar Thermal Technology Program has focused on the development of membrane dish concentrators for space and terrestrial power applications. As potentially lightweight, inexpensive, high-performance structures, they are excellent candidates for space-deployable energy sources as well as cost-effective terrestrial energy concepts. A thorough engineering research treatment of these types of structures consists primarily of two parts: (1) structural mechanics of the membrane and ring support and (2) analysis and characterization of the concentrator optical performance. It is important to understand the effects of the membrane's structure and support system on the optical performancemore » of the concentrator. This requires an interface between appropriate structural and optical models. Until recently, such models and the required interface have not existed. This report documents research that has been conducted at SERI in this area. It is a compilation of several papers describing structural models of membrane dish structures and optical models used to predict dish concentrator optical and thermal performance. The structural models were developed under SERI subcontract by Dr. Steele and Dr. Balch of Stanford University. The optical model was developed in-house by SERI staff. In addition, the interface between the models is described. It allows easy and thorough characterization of membrane dish systems from the mechanics to the resulting optical performance. The models described herein have been and continue to be extremely useful to SERI, industry, and universities involved with the modeling and analysis of lightweight membrane concentrators for solar thermal applications.« less

Unified control/structure design and modeling research

NASA Technical Reports Server (NTRS)

Mingori, D. L.; Gibson, J. S.; Blelloch, P. A.; Adamian, A.

1986-01-01

To demonstrate the applicability of the control theory for distributed systems to large flexible space structures, research was focused on a model of a space antenna which consists of a rigid hub, flexible ribs, and a mesh reflecting surface. The space antenna model used is discussed along with the finite element approximation of the distributed model. The basic control problem is to design an optimal or near-optimal compensator to suppress the linear vibrations and rigid-body displacements of the structure. The application of an infinite dimensional Linear Quadratic Gaussian (LQG) control theory to flexible structure is discussed. Two basic approaches for robustness enhancement were investigated: loop transfer recovery and sensitivity optimization. A third approach synthesized from elements of these two basic approaches is currently under development. The control driven finite element approximation of flexible structures is discussed. Three sets of finite element basic vectors for computing functional control gains are compared. The possibility of constructing a finite element scheme to approximate the infinite dimensional Hamiltonian system directly, instead of indirectly is discussed.

Model structure of the stream salmonid simulator (S3)—A dynamic model for simulating growth, movement, and survival of juvenile salmonids

USGS Publications Warehouse

Perry, Russell W.; Plumb, John M.; Jones, Edward C.; Som, Nicholas A.; Hetrick, Nicholas J.; Hardy, Thomas B.

2018-04-06

Fisheries and water managers often use population models to aid in understanding the effect of alternative water management or restoration actions on anadromous fish populations. We developed the Stream Salmonid Simulator (S3) to help resource managers evaluate the effect of management alternatives on juvenile salmonid populations. S3 is a deterministic stage-structured population model that tracks daily growth, movement, and survival of juvenile salmon. A key theme of the model is that river flow affects habitat availability and capacity, which in turn drives density dependent population dynamics. To explicitly link population dynamics to habitat quality and quantity, the river environment is constructed as a one-dimensional series of linked habitat units, each of which has an associated daily time series of discharge, water temperature, and usable habitat area or carrying capacity. The physical characteristics of each habitat unit and the number of fish occupying each unit, in turn, drive survival and growth within each habitat unit and movement of fish among habitat units.The purpose of this report is to outline the underlying general structure of the S3 model that is common among different applications of the model. We have developed applications of the S3 model for juvenile fall Chinook salmon (Oncorhynchus tshawytscha) in the lower Klamath River. Thus, this report is a companion to current application of the S3 model to the Trinity River (in review). The general S3 model structure provides a biological and physical framework for the salmonid freshwater life cycle. This framework captures important demographics of juvenile salmonids aimed at translating management alternatives into simulated population responses. Although the S3 model is built on this common framework, the model has been constructed to allow much flexibility in application of the model to specific river systems. The ability for practitioners to include system-specific information for the physical stream structure, survival, growth, and movement processes ensures that simulations provide results that are relevant to the questions asked about the population under study.

Modelling multimedia teleservices with OSI upper layers framework: Short paper

NASA Astrophysics Data System (ADS)

Widya, I.; Vanrijssen, E.; Michiels, E.

The paper presents the use of the concepts and modelling principles of the Open Systems Interconnection (OSI) upper layers structure in the modelling of multimedia teleservices. It puts emphasis on the revised Application Layer Structure (OSI/ALS). OSI/ALS is an object based reference model which intends to coordinate the development of application oriented services and protocols in a consistent and modular way. It enables the rapid deployment and integrated use of these services. The paper emphasizes further on the nesting structure defined in OSI/ALS which allows the design of scalable and user tailorable/controllable teleservices. OSI/ALS consistent teleservices are moreover implementable on communication platforms of different capabilities. An analysis of distributed multimedia architectures which can be found in the literature, confirms the ability of the OSI/ALS framework to model the interworking functionalities of teleservices.

Collaborative development of predictive toxicology applications

PubMed Central

2010-01-01

OpenTox provides an interoperable, standards-based Framework for the support of predictive toxicology data management, algorithms, modelling, validation and reporting. It is relevant to satisfying the chemical safety assessment requirements of the REACH legislation as it supports access to experimental data, (Quantitative) Structure-Activity Relationship models, and toxicological information through an integrating platform that adheres to regulatory requirements and OECD validation principles. Initial research defined the essential components of the Framework including the approach to data access, schema and management, use of controlled vocabularies and ontologies, architecture, web service and communications protocols, and selection and integration of algorithms for predictive modelling. OpenTox provides end-user oriented tools to non-computational specialists, risk assessors, and toxicological experts in addition to Application Programming Interfaces (APIs) for developers of new applications. OpenTox actively supports public standards for data representation, interfaces, vocabularies and ontologies, Open Source approaches to core platform components, and community-based collaboration approaches, so as to progress system interoperability goals. The OpenTox Framework includes APIs and services for compounds, datasets, features, algorithms, models, ontologies, tasks, validation, and reporting which may be combined into multiple applications satisfying a variety of different user needs. OpenTox applications are based on a set of distributed, interoperable OpenTox API-compliant REST web services. The OpenTox approach to ontology allows for efficient mapping of complementary data coming from different datasets into a unifying structure having a shared terminology and representation. Two initial OpenTox applications are presented as an illustration of the potential impact of OpenTox for high-quality and consistent structure-activity relationship modelling of REACH-relevant endpoints: ToxPredict which predicts and reports on toxicities for endpoints for an input chemical structure, and ToxCreate which builds and validates a predictive toxicity model based on an input toxicology dataset. Because of the extensible nature of the standardised Framework design, barriers of interoperability between applications and content are removed, as the user may combine data, models and validation from multiple sources in a dependable and time-effective way. PMID:20807436

Collaborative development of predictive toxicology applications.

PubMed

Hardy, Barry; Douglas, Nicki; Helma, Christoph; Rautenberg, Micha; Jeliazkova, Nina; Jeliazkov, Vedrin; Nikolova, Ivelina; Benigni, Romualdo; Tcheremenskaia, Olga; Kramer, Stefan; Girschick, Tobias; Buchwald, Fabian; Wicker, Joerg; Karwath, Andreas; Gütlein, Martin; Maunz, Andreas; Sarimveis, Haralambos; Melagraki, Georgia; Afantitis, Antreas; Sopasakis, Pantelis; Gallagher, David; Poroikov, Vladimir; Filimonov, Dmitry; Zakharov, Alexey; Lagunin, Alexey; Gloriozova, Tatyana; Novikov, Sergey; Skvortsova, Natalia; Druzhilovsky, Dmitry; Chawla, Sunil; Ghosh, Indira; Ray, Surajit; Patel, Hitesh; Escher, Sylvia

2010-08-31

OpenTox provides an interoperable, standards-based Framework for the support of predictive toxicology data management, algorithms, modelling, validation and reporting. It is relevant to satisfying the chemical safety assessment requirements of the REACH legislation as it supports access to experimental data, (Quantitative) Structure-Activity Relationship models, and toxicological information through an integrating platform that adheres to regulatory requirements and OECD validation principles. Initial research defined the essential components of the Framework including the approach to data access, schema and management, use of controlled vocabularies and ontologies, architecture, web service and communications protocols, and selection and integration of algorithms for predictive modelling. OpenTox provides end-user oriented tools to non-computational specialists, risk assessors, and toxicological experts in addition to Application Programming Interfaces (APIs) for developers of new applications. OpenTox actively supports public standards for data representation, interfaces, vocabularies and ontologies, Open Source approaches to core platform components, and community-based collaboration approaches, so as to progress system interoperability goals.The OpenTox Framework includes APIs and services for compounds, datasets, features, algorithms, models, ontologies, tasks, validation, and reporting which may be combined into multiple applications satisfying a variety of different user needs. OpenTox applications are based on a set of distributed, interoperable OpenTox API-compliant REST web services. The OpenTox approach to ontology allows for efficient mapping of complementary data coming from different datasets into a unifying structure having a shared terminology and representation.Two initial OpenTox applications are presented as an illustration of the potential impact of OpenTox for high-quality and consistent structure-activity relationship modelling of REACH-relevant endpoints: ToxPredict which predicts and reports on toxicities for endpoints for an input chemical structure, and ToxCreate which builds and validates a predictive toxicity model based on an input toxicology dataset. Because of the extensible nature of the standardised Framework design, barriers of interoperability between applications and content are removed, as the user may combine data, models and validation from multiple sources in a dependable and time-effective way.

Modeling habitat for Marbled Murrelets on the Siuslaw National Forest, Oregon, using lidar data

USGS Publications Warehouse

Hagar, Joan C.; Aragon, Ramiro; Haggerty, Patricia; Hollenbeck, Jeff P.

2018-03-28

Habitat models using lidar-derived variables that quantify fine-scale variation in vegetation structure can improve the accuracy of occupancy estimates for canopy-dwelling species over models that use variables derived from other remote sensing techniques. However, the ability of models developed at such a fine spatial scale to maintain accuracy at regional or larger spatial scales has not been tested. We tested the transferability of a lidar-based habitat model for the threatened Marbled Murrelet (Brachyramphus marmoratus) between two management districts within a larger regional conservation zone in coastal western Oregon. We compared the performance of the transferred model against models developed with data from the application location. The transferred model had good discrimination (AUC = 0.73) at the application location, and model performance was further improved by fitting the original model with coefficients from the application location dataset (AUC = 0.79). However, the model selection procedure indicated that neither of these transferred models were considered competitive with a model trained on local data. The new model trained on data from the application location resulted in the selection of a slightly different set of lidar metrics from the original model, but both transferred and locally trained models consistently indicated positive relationships between the probability of occupancy and lidar measures of canopy structural complexity. We conclude that while the locally trained model had superior performance for local application, the transferred model could reasonably be applied to the entire conservation zone.

Modeling Of Object- And Scene-Prototypes With Hierarchically Structured Classes

NASA Astrophysics Data System (ADS)

Ren, Z.; Jensch, P.; Ameling, W.

1989-03-01

The success of knowledge-based image analysis methodology and implementation tools depends largely on an appropriately and efficiently built model wherein the domain-specific context information about and the inherent structure of the observed image scene have been encoded. For identifying an object in an application environment a computer vision system needs to know firstly the description of the object to be found in an image or in an image sequence, secondly the corresponding relationships between object descriptions within the image sequence. This paper presents models of image objects scenes by means of hierarchically structured classes. Using the topovisual formalism of graph and higraph, we are currently studying principally the relational aspect and data abstraction of the modeling in order to visualize the structural nature resident in image objects and scenes, and to formalize. their descriptions. The goal is to expose the structure of image scene and the correspondence of image objects in the low level image interpretation. process. The object-based system design approach has been applied to build the model base. We utilize the object-oriented programming language C + + for designing, testing and implementing the abstracted entity classes and the operation structures which have been modeled topovisually. The reference images used for modeling prototypes of objects and scenes are from industrial environments as'well as medical applications.

Design, analysis, and applications of cellular contact-aided compliant mechanisms

NASA Astrophysics Data System (ADS)

Mehta, Vipul

A new class of compliant mechanisms utilizing the benefits of cellular geometry and contact are addressed in this work. The design, analysis, fabrication and testing of such structures for high-strain and high-strength applications is the focus of the present research. Cellular structures have relatively good strength-to-weight ratios. They also have a higher strain capability than solid structures. Contact during deformation reduces failure-causing bending stresses through stress relief, thereby enabling such cellular structures to be stretched more than the corresponding structures without contact. Both analytical and numerical models are developed to represent one specific mechanism. Several candidate materials are investigated for such mechanisms. Although the allowable strain of all these materials is small, the overall strain of the contact-aided cellular mechanisms is at least an order of magnitude greater than that of the constitutive material. Application of contact to different materials yields an improvement in the global strain capacity by more than 100% relative to cellular structures without contact. Experiments are conducted to validate the models, and good agreement is found. Size optimization is carried out to maximize the stress relief and the overall strain. Two main applications are considered in the present work. One application consists of a morphing aircraft skin for adaptive structures. Different material models such as linearly elastic and multi-linear elastic are examined. For linearly elastic materials, contact-induced stress-relief is advantageous and for nonlinear elastic materials, reduction of transverse deflection due to contact is useful. The proposed contact-aided skin structure is compared with a cellular skin without contact. The contact mechanism helps to increase the morphing capacity while decreasing the structural mass. Using contact-aided cellular mechanisms, the global strain capability is increased by as much as 37%. For a fixed global strain, the optimum contact-aided structure is 15% lighter than an optimum non-contact structure. Another application involves investigation of meso-scaled cellular structures. Two different materials are considered---nanoparticulate zirconia and particulate stainless steel. The lost mold rapid infiltration forming process is utilized to fabricate free standing cellular mechanisms. The analytical model is employed to address the tradeoffs between the manufacturing constraints and to design suitable contact-aided cellular mechanisms. A custom rig is developed to test these meso-scaled parts. Force displacement characteristics are experimentally obtained and compared against those found using the analytical model. Topology optimization tools are applied to the design of compliant cellular mechanisms with and without a contact mechanism. A two-step procedure is developed. For cellular structures without contact, an inverse homogenization method is employed. The compliant mechanism is optimized to yield prescribed elasticity coefficients and achieve a large effective elastic strain. To implement a contact mechanism in the second step, the continuum model of a non-contact structure is converted into a frame model. Only the non-overlapping designs are investigated exhaustively for stress relief. A differential evolution optimizer is used to maximize the stress relief. Four cell topologies are found for different effective properties corresponding to different structural requirements. For each such topology, a contact mechanism is devised that demonstrates stress relief. One such topology resulted a stress relief as high as 36%.

Towards a standard design model for quad-rotors: A review of current models, their accuracy and a novel simplified model

NASA Astrophysics Data System (ADS)

Amezquita-Brooks, Luis; Liceaga-Castro, Eduardo; Gonzalez-Sanchez, Mario; Garcia-Salazar, Octavio; Martinez-Vazquez, Daniel

2017-11-01

Applications based on quad-rotor-vehicles (QRV) are becoming increasingly wide-spread. Many of these applications require accurate mathematical representations for control design, simulation and estimation. However, there is no consensus on a standardized model for these purposes. In this article a review of the most common elements included in QRV models reported in the literature is presented. This survey shows that some elements are recurrent for typical non-aerobatic QRV applications; in particular, for control design and high-performance simulation. By synthesising the common features of the reviewed models a standard generic model SGM is proposed. The SGM is cast as a typical state-space model without memory-less transformations, a structure which is useful for simulation and controller design. The survey also shows that many QRV applications use simplified representations, which may be considered simplifications of the SGM here proposed. In order to assess the effectiveness of the simplified models, a comprehensive comparison based on digital simulations is presented. With this comparison, it is possible to determine the accuracy of each model under particular operating ranges. Such information is useful for the selection of a model according to a particular application. In addition to the models found in the literature, in this article a novel simplified model is derived. The main characteristics of this model are that its inner dynamics are linear, it has low complexity and it has a high level of accuracy in all the studied operating ranges, a characteristic found only in more complex representations. To complement the article the main elements of the SGM are evaluated with the aid of experimental data and the computational complexity of all surveyed models is briefly analysed. Finally, the article presents a discussion on how the structural characteristics of the models are useful to suggest particular QRV control structures.

Preserving Lagrangian Structure in Nonlinear Model Reduction with Application to Structural Dynamics

DOE PAGES

Carlberg, Kevin; Tuminaro, Ray; Boggs, Paul

2015-03-11

Our work proposes a model-reduction methodology that preserves Lagrangian structure and achieves computational efficiency in the presence of high-order nonlinearities and arbitrary parameter dependence. As such, the resulting reduced-order model retains key properties such as energy conservation and symplectic time-evolution maps. We focus on parameterized simple mechanical systems subjected to Rayleigh damping and external forces, and consider an application to nonlinear structural dynamics. To preserve structure, the method first approximates the system's “Lagrangian ingredients''---the Riemannian metric, the potential-energy function, the dissipation function, and the external force---and subsequently derives reduced-order equations of motion by applying the (forced) Euler--Lagrange equation with thesemore » quantities. Moreover, from the algebraic perspective, key contributions include two efficient techniques for approximating parameterized reduced matrices while preserving symmetry and positive definiteness: matrix gappy proper orthogonal decomposition and reduced-basis sparsification. Our results for a parameterized truss-structure problem demonstrate the practical importance of preserving Lagrangian structure and illustrate the proposed method's merits: it reduces computation time while maintaining high accuracy and stability, in contrast to existing nonlinear model-reduction techniques that do not preserve structure.« less

Preserving Lagrangian Structure in Nonlinear Model Reduction with Application to Structural Dynamics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Carlberg, Kevin; Tuminaro, Ray; Boggs, Paul

Our work proposes a model-reduction methodology that preserves Lagrangian structure and achieves computational efficiency in the presence of high-order nonlinearities and arbitrary parameter dependence. As such, the resulting reduced-order model retains key properties such as energy conservation and symplectic time-evolution maps. We focus on parameterized simple mechanical systems subjected to Rayleigh damping and external forces, and consider an application to nonlinear structural dynamics. To preserve structure, the method first approximates the system's “Lagrangian ingredients''---the Riemannian metric, the potential-energy function, the dissipation function, and the external force---and subsequently derives reduced-order equations of motion by applying the (forced) Euler--Lagrange equation with thesemore » quantities. Moreover, from the algebraic perspective, key contributions include two efficient techniques for approximating parameterized reduced matrices while preserving symmetry and positive definiteness: matrix gappy proper orthogonal decomposition and reduced-basis sparsification. Our results for a parameterized truss-structure problem demonstrate the practical importance of preserving Lagrangian structure and illustrate the proposed method's merits: it reduces computation time while maintaining high accuracy and stability, in contrast to existing nonlinear model-reduction techniques that do not preserve structure.« less

Ensemble modelling and structured decision-making to support Emergency Disease Management.

PubMed

Webb, Colleen T; Ferrari, Matthew; Lindström, Tom; Carpenter, Tim; Dürr, Salome; Garner, Graeme; Jewell, Chris; Stevenson, Mark; Ward, Michael P; Werkman, Marleen; Backer, Jantien; Tildesley, Michael

2017-03-01

Epidemiological models in animal health are commonly used as decision-support tools to understand the impact of various control actions on infection spread in susceptible populations. Different models contain different assumptions and parameterizations, and policy decisions might be improved by considering outputs from multiple models. However, a transparent decision-support framework to integrate outputs from multiple models is nascent in epidemiology. Ensemble modelling and structured decision-making integrate the outputs of multiple models, compare policy actions and support policy decision-making. We briefly review the epidemiological application of ensemble modelling and structured decision-making and illustrate the potential of these methods using foot and mouth disease (FMD) models. In case study one, we apply structured decision-making to compare five possible control actions across three FMD models and show which control actions and outbreak costs are robustly supported and which are impacted by model uncertainty. In case study two, we develop a methodology for weighting the outputs of different models and show how different weighting schemes may impact the choice of control action. Using these case studies, we broadly illustrate the potential of ensemble modelling and structured decision-making in epidemiology to provide better information for decision-making and outline necessary development of these methods for their further application. Crown Copyright © 2017. Published by Elsevier B.V. All rights reserved.

Structural model of control system for hydraulic stepper motor complex

NASA Astrophysics Data System (ADS)

Obukhov, A. D.; Dedov, D. L.; Kolodin, A. N.

2018-03-01

The article considers the problem of developing a structural model of the control system for a hydraulic stepper drive complex. A comparative analysis of stepper drives and assessment of the applicability of HSM for solving problems, requiring accurate displacement in space with subsequent positioning of the object, are carried out. The presented structural model of the automated control system of the multi-spindle complex of hydraulic stepper drives reflects the main components of the system, as well as the process of its control based on the control signals transfer to the solenoid valves by the controller. The models and methods described in the article can be used to formalize the control process in technical systems based on the application hydraulic stepper drives and allow switching from mechanical control to automated control.

Stiffness degradation-based damage model for RC members and structures using fiber-beam elements

NASA Astrophysics Data System (ADS)

Guo, Zongming; Zhang, Yaoting; Lu, Jiezhi; Fan, Jian

2016-12-01

To meet the demand for an accurate and highly efficient damage model with a distinct physical meaning for performance-based earthquake engineering applications, a stiffness degradation-based damage model for reinforced concrete (RC) members and structures was developed using fiber beam-column elements. In this model, damage indices for concrete and steel fibers were defined by the degradation of the initial reloading modulus and the low-cycle fatigue law. Then, section, member, story and structure damage was evaluated by the degradation of the sectional bending stiffness, rod-end bending stiffness, story lateral stiffness and structure lateral stiffness, respectively. The damage model was realized in Matlab by reading in the outputs of OpenSees. The application of the damage model to RC columns and a RC frame indicates that the damage model is capable of accurately predicting the magnitude, position, and evolutionary process of damage, and estimating story damage more precisely than inter-story drift. Additionally, the damage model establishes a close connection between damage indices at various levels without introducing weighting coefficients or force-displacement relationships. The development of the model has perfected the damage assessment function of OpenSees, laying a solid foundation for damage estimation at various levels of a large-scale structure subjected to seismic loading.

Compound Structure-Independent Activity Prediction in High-Dimensional Target Space.

PubMed

Balfer, Jenny; Hu, Ye; Bajorath, Jürgen

2014-08-01

Profiling of compound libraries against arrays of targets has become an important approach in pharmaceutical research. The prediction of multi-target compound activities also represents an attractive task for machine learning with potential for drug discovery applications. Herein, we have explored activity prediction in high-dimensional target space. Different types of models were derived to predict multi-target activities. The models included naïve Bayesian (NB) and support vector machine (SVM) classifiers based upon compound structure information and NB models derived on the basis of activity profiles, without considering compound structure. Because the latter approach can be applied to incomplete training data and principally depends on the feature independence assumption, SVM modeling was not applicable in this case. Furthermore, iterative hybrid NB models making use of both activity profiles and compound structure information were built. In high-dimensional target space, NB models utilizing activity profile data were found to yield more accurate activity predictions than structure-based NB and SVM models or hybrid models. An in-depth analysis of activity profile-based models revealed the presence of correlation effects across different targets and rationalized prediction accuracy. Taken together, the results indicate that activity profile information can be effectively used to predict the activity of test compounds against novel targets. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

High-Dimensional Sparse Factor Modeling: Applications in Gene Expression Genomics

PubMed Central

Carvalho, Carlos M.; Chang, Jeffrey; Lucas, Joseph E.; Nevins, Joseph R.; Wang, Quanli; West, Mike

2010-01-01

We describe studies in molecular profiling and biological pathway analysis that use sparse latent factor and regression models for microarray gene expression data. We discuss breast cancer applications and key aspects of the modeling and computational methodology. Our case studies aim to investigate and characterize heterogeneity of structure related to specific oncogenic pathways, as well as links between aggregate patterns in gene expression profiles and clinical biomarkers. Based on the metaphor of statistically derived “factors” as representing biological “subpathway” structure, we explore the decomposition of fitted sparse factor models into pathway subcomponents and investigate how these components overlay multiple aspects of known biological activity. Our methodology is based on sparsity modeling of multivariate regression, ANOVA, and latent factor models, as well as a class of models that combines all components. Hierarchical sparsity priors address questions of dimension reduction and multiple comparisons, as well as scalability of the methodology. The models include practically relevant non-Gaussian/nonparametric components for latent structure, underlying often quite complex non-Gaussianity in multivariate expression patterns. Model search and fitting are addressed through stochastic simulation and evolutionary stochastic search methods that are exemplified in the oncogenic pathway studies. Supplementary supporting material provides more details of the applications, as well as examples of the use of freely available software tools for implementing the methodology. PMID:21218139

Application of Exploratory Structural Equation Modeling to Evaluate the Academic Motivation Scale

ERIC Educational Resources Information Center

Guay, Frédéric; Morin, Alexandre J. S.; Litalien, David; Valois, Pierre; Vallerand, Robert J.

2015-01-01

In this research, the authors examined the construct validity of scores of the Academic Motivation Scale using exploratory structural equation modeling. Study 1 and Study 2 involved 1,416 college students and 4,498 high school students, respectively. First, results of both studies indicated that the factor structure tested with exploratory…

Predictive Modeling of Structural Sensing for Aerospace Applications

DTIC Science & Technology

2015-08-03

3rd European workshop on structural health monitoring, 5–7 July 2006, Granada , Spain. Castaings M, Le Clezio E and Hosten B (2002) Modal decom...monitoring. In: 3rd European workshop on structural health monitoring, 5–7 July 2006, Granada , Spain. Peng H, Meng G and Li F (2009) Modeling of wave propaga

Structural Equations and Causal Explanations: Some Challenges for Causal SEM

ERIC Educational Resources Information Center

Markus, Keith A.

2010-01-01

One common application of structural equation modeling (SEM) involves expressing and empirically investigating causal explanations. Nonetheless, several aspects of causal explanation that have an impact on behavioral science methodology remain poorly understood. It remains unclear whether applications of SEM should attempt to provide complete…

Application of NASTRAN/COSMIC in the analysis of ship structures to underwater explosion shock

NASA Technical Reports Server (NTRS)

Fallon, D. J.; Costanzo, F. A.; Handleton, R. T.; Camp, G. C.; Smith, D. C.

1987-01-01

The application of NASTRAN/COSMIC in predicting the transient motion of ship structures to underwater, non-contact explosions is discussed. Examples illustrate the finite element models, mathematical formulations of loading functions and, where available, comparisons between analytical and experimental results.

Waves at Navigation Structures

DTIC Science & Technology

2014-10-27

upgrades the Coastal Modeling System’s (CMS) wave model CMS-Wave, a phase-averaged spectral wave model, and BOUSS-2D, a Boussinesq -type nonlinear wave...nearshore wave processes in practical applications. These capabilities facilitate optimization of innovative infrastructure for navigation systems to...navigation systems . The advanced models develop probabilistic engineering design estimates for rehabilitation of coastal structures to evaluate the

Conditional random fields for pattern recognition applied to structured data

DOE Office of Scientific and Technical Information (OSTI.GOV)

Burr, Tom; Skurikhin, Alexei

In order to predict labels from an output domain, Y, pattern recognition is used to gather measurements from an input domain, X. Image analysis is one setting where one might want to infer whether a pixel patch contains an object that is “manmade” (such as a building) or “natural” (such as a tree). Suppose the label for a pixel patch is “manmade”; if the label for a nearby pixel patch is then more likely to be “manmade” there is structure in the output domain that can be exploited to improve pattern recognition performance. Modeling P(X) is difficult because features betweenmore » parts of the model are often correlated. Thus, conditional random fields (CRFs) model structured data using the conditional distribution P(Y|X = x), without specifying a model for P(X), and are well suited for applications with dependent features. Our paper has two parts. First, we overview CRFs and their application to pattern recognition in structured problems. Our primary examples are image analysis applications in which there is dependence among samples (pixel patches) in the output domain. Second, we identify research topics and present numerical examples.« less

Conditional random fields for pattern recognition applied to structured data

DOE PAGES

Burr, Tom; Skurikhin, Alexei

2015-07-14

In order to predict labels from an output domain, Y, pattern recognition is used to gather measurements from an input domain, X. Image analysis is one setting where one might want to infer whether a pixel patch contains an object that is “manmade” (such as a building) or “natural” (such as a tree). Suppose the label for a pixel patch is “manmade”; if the label for a nearby pixel patch is then more likely to be “manmade” there is structure in the output domain that can be exploited to improve pattern recognition performance. Modeling P(X) is difficult because features betweenmore » parts of the model are often correlated. Thus, conditional random fields (CRFs) model structured data using the conditional distribution P(Y|X = x), without specifying a model for P(X), and are well suited for applications with dependent features. Our paper has two parts. First, we overview CRFs and their application to pattern recognition in structured problems. Our primary examples are image analysis applications in which there is dependence among samples (pixel patches) in the output domain. Second, we identify research topics and present numerical examples.« less

Webizing mobile augmented reality content

NASA Astrophysics Data System (ADS)

Ahn, Sangchul; Ko, Heedong; Yoo, Byounghyun

2014-01-01

This paper presents a content structure for building mobile augmented reality (AR) applications in HTML5 to achieve a clean separation of the mobile AR content and the application logic for scaling as on the Web. We propose that the content structure contains the physical world as well as virtual assets for mobile AR applications as document object model (DOM) elements and that their behaviour and user interactions are controlled through DOM events by representing objects and places with a uniform resource identifier. Our content structure enables mobile AR applications to be seamlessly developed as normal HTML documents under the current Web eco-system.

A statistical learning approach to the modeling of chromatographic retention of oligonucleotides incorporating sequence and secondary structure data

PubMed Central

Sturm, Marc; Quinten, Sascha; Huber, Christian G.; Kohlbacher, Oliver

2007-01-01

We propose a new model for predicting the retention time of oligonucleotides. The model is based on ν support vector regression using features derived from base sequence and predicted secondary structure of oligonucleotides. Because of the secondary structure information, the model is applicable even at relatively low temperatures where the secondary structure is not suppressed by thermal denaturing. This makes the prediction of oligonucleotide retention time for arbitrary temperatures possible, provided that the target temperature lies within the temperature range of the training data. We describe different possibilities of feature calculation from base sequence and secondary structure, present the results and compare our model to existing models. PMID:17567619

Matrix Transfer Function Design for Flexible Structures: An Application

NASA Technical Reports Server (NTRS)

Brennan, T. J.; Compito, A. V.; Doran, A. L.; Gustafson, C. L.; Wong, C. L.

1985-01-01

The application of matrix transfer function design techniques to the problem of disturbance rejection on a flexible space structure is demonstrated. The design approach is based on parameterizing a class of stabilizing compensators for the plant and formulating the design specifications as a constrained minimization problem in terms of these parameters. The solution yields a matrix transfer function representation of the compensator. A state space realization of the compensator is constructed to investigate performance and stability on the nominal and perturbed models. The application is made to the ACOSSA (Active Control of Space Structures) optical structure.

Structural partitioning of complex structures in the medium-frequency range. An application to an automotive vehicle

NASA Astrophysics Data System (ADS)

Kassem, M.; Soize, C.; Gagliardini, L.

2011-02-01

In a recent work [ Journal of Sound and Vibration 323 (2009) 849-863] the authors presented an energy-density field approach for the vibroacoustic analysis of complex structures in the low and medium frequency ranges. In this approach, a local vibroacoustic energy model as well as a simplification of this model were constructed. In this paper, firstly an extension of the previous theory is performed in order to include the case of general input forces and secondly, a structural partitioning methodology is presented along with a set of tools used for the construction of a partitioning. Finally, an application is presented for an automotive vehicle.

Jump-Diffusion models and structural changes for asset forecasting in hydrology

NASA Astrophysics Data System (ADS)

Tranquille Temgoua, André Guy; Martel, Richard; Chang, Philippe J. J.; Rivera, Alfonso

2017-04-01

Impacts of climate change on surface water and groundwater are of concern in many regions of the world since water is an essential natural resource. Jump-Diffusion models are generally used in economics and other related fields but not in hydrology. The potential application could be made for hydrologic data series analysis and forecast. The present study uses Jump-Diffusion models by adding structural changes to detect fluctuations in hydrologic processes in relationship with climate change. The model implicitly assumes that modifications in rivers' flowrates can be divided into three categories: (a) normal changes due to irregular precipitation events especially in tropical regions causing major disturbance in hydrologic processes (this component is modelled by a discrete Brownian motion); (b) abnormal, sudden and non-persistent modifications in hydrologic proceedings are handled by Poisson processes; (c) the persistence of hydrologic fluctuations characterized by structural changes in hydrological data related to climate variability. The objective of this paper is to add structural changes in diffusion models with jumps, in order to capture the persistence of hydrologic fluctuations. Indirectly, the idea is to observe if there are structural changes of discharge/recharge over the study area, and to find an efficient and flexible model able of capturing a wide variety of hydrologic processes. Structural changes in hydrological data are estimated using the method of nonlinear discrete filters via Method of Simulated Moments (MSM). An application is given using sensitive parameters such as baseflow index and recession coefficient to capture discharge/recharge. Historical dataset are examined by the Volume Spread Analysis (VSA) to detect real time and random perturbations in hydrologic processes. The application of the method allows establishing more accurate hydrologic parameters. The impact of this study is perceptible in forecasting floods and groundwater recession. Keywords: hydrologic processes, Jump-Diffusion models, structural changes, forecast, climate change

Variability of Protein Structure Models from Electron Microscopy.

PubMed

Monroe, Lyman; Terashi, Genki; Kihara, Daisuke

2017-04-04

An increasing number of biomolecular structures are solved by electron microscopy (EM). However, the quality of structure models determined from EM maps vary substantially. To understand to what extent structure models are supported by information embedded in EM maps, we used two computational structure refinement methods to examine how much structures can be refined using a dataset of 49 maps with accompanying structure models. The extent of structure modification as well as the disagreement between refinement models produced by the two computational methods scaled inversely with the global and the local map resolutions. A general quantitative estimation of deviations of structures for particular map resolutions are provided. Our results indicate that the observed discrepancy between the deposited map and the refined models is due to the lack of structural information present in EM maps and thus these annotations must be used with caution for further applications. Copyright © 2017 Elsevier Ltd. All rights reserved.

Application of a simple cerebellar model to geologic surface mapping

USGS Publications Warehouse

Hagens, A.; Doveton, J.H.

1991-01-01

Neurophysiological research into the structure and function of the cerebellum has inspired computational models that simulate information processing associated with coordination and motor movement. The cerebellar model arithmetic computer (CMAC) has a design structure which makes it readily applicable as an automated mapping device that "senses" a surface, based on a sample of discrete observations of surface elevation. The model operates as an iterative learning process, where cell weights are continuously modified by feedback to improve surface representation. The storage requirements are substantially less than those of a conventional memory allocation, and the model is extended easily to mapping in multidimensional space, where the memory savings are even greater. ?? 1991.

Equivalent-Continuum Modeling With Application to Carbon Nanotubes

NASA Technical Reports Server (NTRS)

Odegard, Gregory M.; Gates, Thomas S.; Nicholson, Lee M.; Wise, Kristopher E.

2002-01-01

A method has been proposed for developing structure-property relationships of nano-structured materials. This method serves as a link between computational chemistry and solid mechanics by substituting discrete molecular structures with equivalent-continuum models. It has been shown that this substitution may be accomplished by equating the vibrational potential energy of a nano-structured material with the strain energy of representative truss and continuum models. As important examples with direct application to the development and characterization of single-walled carbon nanotubes and the design of nanotube-based devices, the modeling technique has been applied to determine the effective-continuum geometry and bending rigidity of a graphene sheet. A representative volume element of the chemical structure of graphene has been substituted with equivalent-truss and equivalent continuum models. As a result, an effective thickness of the continuum model has been determined. This effective thickness has been shown to be significantly larger than the interatomic spacing of graphite. The effective thickness has been shown to be significantly larger than the inter-planar spacing of graphite. The effective bending rigidity of the equivalent-continuum model of a graphene sheet was determined by equating the vibrational potential energy of the molecular model of a graphene sheet subjected to cylindrical bending with the strain energy of an equivalent continuum plate subjected to cylindrical bending.

Advances In High Temperature (Viscoelastoplastic) Material Modeling for Thermal Structural Analysis

NASA Technical Reports Server (NTRS)

Arnold, Steven M.; Saleeb, Atef F.

2005-01-01

Typical High Temperature Applications High Temperature Applications Demand High Performance Materials: 1) Complex Thermomechanical Loading; 2) Complex Material response requires Time-Dependent/Hereditary Models: Viscoelastic/Viscoplastic; and 3) Comprehensive Characterization (Tensile, Creep, Relaxation) for a variety of material systems.

Modelling Ni-mH battery using Cauer and Foster structures

NASA Astrophysics Data System (ADS)

Kuhn, E.; Forgez, C.; Lagonotte, P.; Friedrich, G.

This paper deals with dynamic models of Ni-mH battery and focuses on the development of the equivalent electric models. We propose two equivalent electric models, using Cauer and Foster structures, able to relate both dynamic and energetic behavior of the battery. These structures are well adapted to real time applications (e.g. Battery Management Systems) or system simulations. A special attention will be brought to the influence of the complexity of the equivalent electric scheme on the precision of the model. Experimental validations allow to discuss about performances of proposed models.

The research on construction and application of machining process knowledge base

NASA Astrophysics Data System (ADS)

Zhao, Tan; Qiao, Lihong; Qie, Yifan; Guo, Kai

2018-03-01

In order to realize the application of knowledge in machining process design, from the perspective of knowledge in the application of computer aided process planning(CAPP), a hierarchical structure of knowledge classification is established according to the characteristics of mechanical engineering field. The expression of machining process knowledge is structured by means of production rules and the object-oriented methods. Three kinds of knowledge base models are constructed according to the representation of machining process knowledge. In this paper, the definition and classification of machining process knowledge, knowledge model, and the application flow of the process design based on the knowledge base are given, and the main steps of the design decision of the machine tool are carried out as an application by using the knowledge base.

RealityConvert: a tool for preparing 3D models of biochemical structures for augmented and virtual reality.

PubMed

Borrel, Alexandre; Fourches, Denis

2017-12-01

There is a growing interest for the broad use of Augmented Reality (AR) and Virtual Reality (VR) in the fields of bioinformatics and cheminformatics to visualize complex biological and chemical structures. AR and VR technologies allow for stunning and immersive experiences, offering untapped opportunities for both research and education purposes. However, preparing 3D models ready to use for AR and VR is time-consuming and requires a technical expertise that severely limits the development of new contents of potential interest for structural biologists, medicinal chemists, molecular modellers and teachers. Herein we present the RealityConvert software tool and associated website, which allow users to easily convert molecular objects to high quality 3D models directly compatible for AR and VR applications. For chemical structures, in addition to the 3D model generation, RealityConvert also generates image trackers, useful to universally call and anchor that particular 3D model when used in AR applications. The ultimate goal of RealityConvert is to facilitate and boost the development and accessibility of AR and VR contents for bioinformatics and cheminformatics applications. http://www.realityconvert.com. dfourch@ncsu.edu. Supplementary data are available at Bioinformatics online. © The Author 2017. Published by Oxford University Press. All rights reserved. For Permissions, please e-mail: journals.permissions@oup.com

Quantitative structure-property relationship (QSPR) modeling of drug-loaded polymeric micelles via genetic function approximation.

PubMed

Wu, Wensheng; Zhang, Canyang; Lin, Wenjing; Chen, Quan; Guo, Xindong; Qian, Yu; Zhang, Lijuan

2015-01-01

Self-assembled nano-micelles of amphiphilic polymers represent a novel anticancer drug delivery system. However, their full clinical utilization remains challenging because the quantitative structure-property relationship (QSPR) between the polymer structure and the efficacy of micelles as a drug carrier is poorly understood. Here, we developed a series of QSPR models to account for the drug loading capacity of polymeric micelles using the genetic function approximation (GFA) algorithm. These models were further evaluated by internal and external validation and a Y-randomization test in terms of stability and generalization, yielding an optimization model that is applicable to an expanded materials regime. As confirmed by experimental data, the relationship between microstructure and drug loading capacity can be well-simulated, suggesting that our models are readily applicable to the quantitative evaluation of the drug-loading capacity of polymeric micelles. Our work may offer a pathway to the design of formulation experiments.

Quantitative Structure-Property Relationship (QSPR) Modeling of Drug-Loaded Polymeric Micelles via Genetic Function Approximation

PubMed Central

Lin, Wenjing; Chen, Quan; Guo, Xindong; Qian, Yu; Zhang, Lijuan

2015-01-01

Self-assembled nano-micelles of amphiphilic polymers represent a novel anticancer drug delivery system. However, their full clinical utilization remains challenging because the quantitative structure-property relationship (QSPR) between the polymer structure and the efficacy of micelles as a drug carrier is poorly understood. Here, we developed a series of QSPR models to account for the drug loading capacity of polymeric micelles using the genetic function approximation (GFA) algorithm. These models were further evaluated by internal and external validation and a Y-randomization test in terms of stability and generalization, yielding an optimization model that is applicable to an expanded materials regime. As confirmed by experimental data, the relationship between microstructure and drug loading capacity can be well-simulated, suggesting that our models are readily applicable to the quantitative evaluation of the drug-loading capacity of polymeric micelles. Our work may offer a pathway to the design of formulation experiments. PMID:25780923

Self-organizing linear output map (SOLO): An artificial neural network suitable for hydrologic modeling and analysis

NASA Astrophysics Data System (ADS)

Hsu, Kuo-Lin; Gupta, Hoshin V.; Gao, Xiaogang; Sorooshian, Soroosh; Imam, Bisher

2002-12-01

Artificial neural networks (ANNs) can be useful in the prediction of hydrologic variables, such as streamflow, particularly when the underlying processes have complex nonlinear interrelationships. However, conventional ANN structures suffer from network training issues that significantly limit their widespread application. This paper presents a multivariate ANN procedure entitled self-organizing linear output map (SOLO), whose structure has been designed for rapid, precise, and inexpensive estimation of network structure/parameters and system outputs. More important, SOLO provides features that facilitate insight into the underlying processes, thereby extending its usefulness beyond forecast applications as a tool for scientific investigations. These characteristics are demonstrated using a classic rainfall-runoff forecasting problem. Various aspects of model performance are evaluated in comparison with other commonly used modeling approaches, including multilayer feedforward ANNs, linear time series modeling, and conceptual rainfall-runoff modeling.

The Application of Structural Equation Modeling to Maternal Ratings of Twins' Behavior and Emotional Problems.

ERIC Educational Resources Information Center

Silberg, Judy L.; And Others

1994-01-01

Applied structural equation modeling to twin data to assess impact of genetic and environmental factors on children's behavioral and emotional functioning. Applied models to maternal ratings of behavior of 515 monozygotic and 749 dizygotic twin pairs. Importance of genetic, shared, and specific environmental factors for explaining variation was…

An Exemplary Program in Higher Education for Chemists, Engineers, and Chemistry Teachers.

ERIC Educational Resources Information Center

Ayers, Jerry B.; And Others

This paper presents the rationale, structure, and specifications for a model program for the preparation of chemists, chemical engineers, and high school chemistry teachers. The model (an application of systems technology to program development in higher education) is based on the structure provided by the Georgia Educational Model Specifications…

Causal Indicator Models: Unresolved Issues of Construction and Evaluation

ERIC Educational Resources Information Center

West, Stephen G.; Grimm, Kevin J.

2014-01-01

These authors agree with Bainter and Bollen that causal effects represents a useful measurement structure in some applications. The structure of the science of the measurement problem should determine the model; the measurement model should not determine the science. They also applaud Bainter and Bollen's important reminder that the full…

Static Aeroelastic Analysis with an Inviscid Cartesian Method

NASA Technical Reports Server (NTRS)

Rodriguez, David L.; Aftosmis, Michael J.; Nemec, Marian; Smith, Stephen C.

2014-01-01

An embedded-boundary, Cartesian-mesh flow solver is coupled with a three degree-of-freedom structural model to perform static, aeroelastic analysis of complex aircraft geometries. The approach solves a nonlinear, aerostructural system of equations using a loosely-coupled strategy. An open-source, 3-D discrete-geometry engine is utilized to deform a triangulated surface geometry according to the shape predicted by the structural model under the computed aerodynamic loads. The deformation scheme is capable of modeling large deflections and is applicable to the design of modern, very-flexible transport wings. The coupling interface is modular so that aerodynamic or structural analysis methods can be easily swapped or enhanced. After verifying the structural model with comparisons to Euler beam theory, two applications of the analysis method are presented as validation. The first is a relatively stiff, transport wing model which was a subject of a recent workshop on aeroelasticity. The second is a very flexible model recently tested in a low speed wind tunnel. Both cases show that the aeroelastic analysis method produces results in excellent agreement with experimental data.

Recent Enhancements to the Development of CFD-Based Aeroelastic Reduced-Order Models

NASA Technical Reports Server (NTRS)

Silva, Walter A.

2007-01-01

Recent enhancements to the development of CFD-based unsteady aerodynamic and aeroelastic reduced-order models (ROMs) are presented. These enhancements include the simultaneous application of structural modes as CFD input, static aeroelastic analysis using a ROM, and matched-point solutions using a ROM. The simultaneous application of structural modes as CFD input enables the computation of the unsteady aerodynamic state-space matrices with a single CFD execution, independent of the number of structural modes. The responses obtained from a simultaneous excitation of the CFD-based unsteady aerodynamic system are processed using system identification techniques in order to generate an unsteady aerodynamic state-space ROM. Once the unsteady aerodynamic state-space ROM is generated, a method for computing the static aeroelastic response using this unsteady aerodynamic ROM and a state-space model of the structure, is presented. Finally, a method is presented that enables the computation of matchedpoint solutions using a single ROM that is applicable over a range of dynamic pressures and velocities for a given Mach number. These enhancements represent a significant advancement of unsteady aerodynamic and aeroelastic ROM technology.

Ranges of applicability for the continuum beam model in the mechanics of carbon nanotubes and nanorods

NASA Technical Reports Server (NTRS)

Harik, V. M.

2001-01-01

Limitations in the validity of the continuum beam model for carbon nanotubes (NTs) and nanorods are examined. Applicability of all assumptions used in the model is restricted by the two criteria for geometric parameters that characterize the structure of NTs. The key non-dimensional parameters that control the NT buckling behavior are derived via dimensional analysis of the nanomechanical problem. A mechanical law of geometric similitude for NT buckling is extended from continuum mechanics for different molecular structures. A model applicability map, where two classes of beam-like NTs are identified, is constructed for distinct ranges of non-dimensional parameters. Expressions for the critical buckling loads and strains are tailored for two classes of NTs and compared with the data provided by the molecular dynamics simulations. copyright 2001 Elsevier Science Ltd. All rights reserved.

The application of CAD, CAE & CAM in development of butterfly valve’s disc

NASA Astrophysics Data System (ADS)

Asiff Razif Shah Ranjit, Muhammad; Hanie Abdullah, Nazlin

2017-06-01

The improved design of a butterfly valve disc is based on the concept of sandwich theory. Butterfly valves are mostly used in various industries such as oil and gas plant. The primary failure modes for valves are indented disc, keyways and shaft failure and the cavitation damage. Emphasis on the application of CAD, a new model of the butterfly valve’s disc structure was designed. The structure analysis was analysed using the finite element analysis. Butterfly valve performance factors can be obtained is by using Computational Fluid Dynamics (CFD) software to simulate the physics of fluid flow in a piping system around a butterfly valve. A comparison analysis was done using the finite element to justify the performance of the structure. The second application of CAE is the computational fluid flow analysis. The upstream pressure and the downstream pressure was analysed to calculate the cavitation index and determine the performance throughout each opening position of the valve. The CAM process was done using 3D printer to produce a prototype and analysed the structure in form of prototype. The structure was downscale fabricated based on the model designed initially through the application of CAD. This study is utilized the application of CAD, CAE and CAM for a better improvement of the butterfly valve’s disc components.

An in silico algal toxicity model with a wide applicability potential for industrial chemicals and pharmaceuticals.

PubMed

Önlü, Serli; Saçan, Melek Türker

2017-04-01

The authors modeled the 72-h algal toxicity data of hundreds of chemicals with different modes of action as a function of chemical structures. They developed mode of action-based local quantitative structure-toxicity relationship (QSTR) models for nonpolar and polar narcotics as well as a global QSTR model with a wide applicability potential for industrial chemicals and pharmaceuticals. The present study rigorously evaluated the generated models, meeting the Organisation for Economic Co-operation and Development principles of robustness, validity, and transparency. The proposed global model had a broad structural coverage for the toxicity prediction of diverse chemicals (some of which are high-production volume chemicals) with no experimental toxicity data. The global model is potentially useful for endpoint predictions, the evaluation of algal toxicity screening, and the prioritization of chemicals, as well as for the decision of further testing and the development of risk-management measures in a scientific and regulatory frame. Environ Toxicol Chem 2017;36:1012-1019. © 2016 SETAC. © 2016 SETAC.

Knowledge Structure Measures of Reader's Situation Models across Languages: Translation Engenders Richer Structure

ERIC Educational Resources Information Center

Kim, Kyung; Clariana, Roy B.

2015-01-01

In order to further validate and extend the application of recent knowledge structure (KS) measures to second language settings, this investigation explores how second language (L2, English) situation models are influenced by first language (L1, Korean) translation tasks. Fifty Korean low proficient English language learners were asked to read an…

Computational models of the pulmonary circulation: Insights and the move towards clinically directed studies

PubMed Central

Tawhai, Merryn H.; Clark, Alys R.; Burrowes, Kelly S.

2011-01-01

Biophysically-based computational models provide a tool for integrating and explaining experimental data, observations, and hypotheses. Computational models of the pulmonary circulation have evolved from minimal and efficient constructs that have been used to study individual mechanisms that contribute to lung perfusion, to sophisticated multi-scale and -physics structure-based models that predict integrated structure-function relationships within a heterogeneous organ. This review considers the utility of computational models in providing new insights into the function of the pulmonary circulation, and their application in clinically motivated studies. We review mathematical and computational models of the pulmonary circulation based on their application; we begin with models that seek to answer questions in basic science and physiology and progress to models that aim to have clinical application. In looking forward, we discuss the relative merits and clinical relevance of computational models: what important features are still lacking; and how these models may ultimately be applied to further increasing our understanding of the mechanisms occurring in disease of the pulmonary circulation. PMID:22034608

Structural Health Monitoring of Large Structures

NASA Technical Reports Server (NTRS)

Kim, Hyoung M.; Bartkowicz, Theodore J.; Smith, Suzanne Weaver; Zimmerman, David C.

1994-01-01

This paper describes a damage detection and health monitoring method that was developed for large space structures using on-orbit modal identification. After evaluating several existing model refinement and model reduction/expansion techniques, a new approach was developed to identify the location and extent of structural damage with a limited number of measurements. A general area of structural damage is first identified and, subsequently, a specific damaged structural component is located. This approach takes advantage of two different model refinement methods (optimal-update and design sensitivity) and two different model size matching methods (model reduction and eigenvector expansion). Performance of the proposed damage detection approach was demonstrated with test data from two different laboratory truss structures. This space technology can also be applied to structural inspection of aircraft, offshore platforms, oil tankers, ridges, and buildings. In addition, its applications to model refinement will improve the design of structural systems such as automobiles and electronic packaging.

Multiscale approach for the construction of equilibrated all-atom models of a poly(ethylene glycol)-based hydrogel

PubMed Central

Li, Xianfeng; Murthy, N. Sanjeeva; Becker, Matthew L.; Latour, Robert A.

2016-01-01

A multiscale modeling approach is presented for the efficient construction of an equilibrated all-atom model of a cross-linked poly(ethylene glycol) (PEG)-based hydrogel using the all-atom polymer consistent force field (PCFF). The final equilibrated all-atom model was built with a systematic simulation toolset consisting of three consecutive parts: (1) building a global cross-linked PEG-chain network at experimentally determined cross-link density using an on-lattice Monte Carlo method based on the bond fluctuation model, (2) recovering the local molecular structure of the network by transitioning from the lattice model to an off-lattice coarse-grained (CG) model parameterized from PCFF, followed by equilibration using high performance molecular dynamics methods, and (3) recovering the atomistic structure of the network by reverse mapping from the equilibrated CG structure, hydrating the structure with explicitly represented water, followed by final equilibration using PCFF parameterization. The developed three-stage modeling approach has application to a wide range of other complex macromolecular hydrogel systems, including the integration of peptide, protein, and/or drug molecules as side-chains within the hydrogel network for the incorporation of bioactivity for tissue engineering, regenerative medicine, and drug delivery applications. PMID:27013229

High-Temperature Strain Sensing for Aerospace Applications

NASA Technical Reports Server (NTRS)

Piazza, Anthony; Richards, Lance W.; Hudson, Larry D.

2008-01-01

Thermal protection systems (TPS) and hot structures are utilizing advanced materials that operate at temperatures that exceed abilities to measure structural performance. Robust strain sensors that operate accurately and reliably beyond 1800 F are needed but do not exist. These shortcomings hinder the ability to validate analysis and modeling techniques and hinders the ability to optimize structural designs. This presentation examines high-temperature strain sensing for aerospace applications and, more specifically, seeks to provide strain data for validating finite element models and thermal-structural analyses. Efforts have been made to develop sensor attachment techniques for relevant structural materials at the small test specimen level and to perform laboratory tests to characterize sensor and generate corrections to apply to indicated strains. Areas highlighted in this presentation include sensors, sensor attachment techniques, laboratory evaluation/characterization of strain measurement, and sensor use in large-scale structures.

Multidisciplinary analysis of actively controlled large flexible spacecraft

NASA Technical Reports Server (NTRS)

Cooper, Paul A.; Young, John W.; Sutter, Thomas R.

1986-01-01

The control of Flexible Structures (COFS) program has supported the development of an analysis capability at the Langley Research Center called the Integrated Multidisciplinary Analysis Tool (IMAT) which provides an efficient data storage and transfer capability among commercial computer codes to aid in the dynamic analysis of actively controlled structures. IMAT is a system of computer programs which transfers Computer-Aided-Design (CAD) configurations, structural finite element models, material property and stress information, structural and rigid-body dynamic model information, and linear system matrices for control law formulation among various commercial applications programs through a common database. Although general in its formulation, IMAT was developed specifically to aid in the evaluation of the structures. A description of the IMAT system and results of an application of the system are given.

Antibody modeling using the prediction of immunoglobulin structure (PIGS) web server [corrected].

PubMed

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

2014-12-01

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.

A symmetry measure for damage detection with mode shapes

NASA Astrophysics Data System (ADS)

Chen, Justin G.; Büyüköztürk, Oral

2017-11-01

This paper introduces a feature for detecting damage or changes in structures, the continuous symmetry measure, which can quantify the amount of a particular rotational, mirror, or translational symmetry in a mode shape of a structure. Many structures in the built environment have geometries that are either symmetric or almost symmetric, however damage typically occurs in a local manner causing asymmetric changes in the structure's geometry or material properties, and alters its mode shapes. The continuous symmetry measure can quantify these changes in symmetry as a novel indicator of damage for data-based structural health monitoring approaches. This paper describes the concept as a basis for detecting changes in mode shapes and detecting structural damage. Application of the method is demonstrated in various structures with different symmetrical properties: a pipe cross-section with a finite element model and experimental study, the NASA 8-bay truss model, and the simulated IASC-ASCE structural health monitoring benchmark structure. The applicability and limitations of the feature in applying it to structures of varying geometries is discussed.

Efficient Analysis of Complex Structures

NASA Technical Reports Server (NTRS)

Kapania, Rakesh K.

2000-01-01

Last various accomplishments achieved during this project are : (1) A Survey of Neural Network (NN) applications using MATLAB NN Toolbox on structural engineering especially on equivalent continuum models (Appendix A). (2) Application of NN and GAs to simulate and synthesize substructures: 1-D and 2-D beam problems (Appendix B). (3) Development of an equivalent plate-model analysis method (EPA) for static and vibration analysis of general trapezoidal built-up wing structures composed of skins, spars and ribs. Calculation of all sorts of test cases and comparison with measurements or FEA results. (Appendix C). (4) Basic work on using second order sensitivities on simulating wing modal response, discussion of sensitivity evaluation approaches, and some results (Appendix D). (5) Establishing a general methodology of simulating the modal responses by direct application of NN and by sensitivity techniques, in a design space composed of a number of design points. Comparison is made through examples using these two methods (Appendix E). (6) Establishing a general methodology of efficient analysis of complex wing structures by indirect application of NN: the NN-aided Equivalent Plate Analysis. Training of the Neural Networks for this purpose in several cases of design spaces, which can be applicable for actual design of complex wings (Appendix F).

A Semi-Structured MODFLOW-USG Model to Evaluate Local Water Sources to Wells for Decision Support.

PubMed

Feinstein, Daniel T; Fienen, Michael N; Reeves, Howard W; Langevin, Christian D

2016-07-01

In order to better represent the configuration of the stream network and simulate local groundwater-surface water interactions, a version of MODFLOW with refined spacing in the topmost layer was applied to a Lake Michigan Basin (LMB) regional groundwater-flow model developed by the U.S. Geological. Regional MODFLOW models commonly use coarse grids over large areas; this coarse spacing precludes model application to local management issues (e.g., surface-water depletion by wells) without recourse to labor-intensive inset models. Implementation of an unstructured formulation within the MODFLOW framework (MODFLOW-USG) allows application of regional models to address local problems. A "semi-structured" approach (uniform lateral spacing within layers, different lateral spacing among layers) was tested using the LMB regional model. The parent 20-layer model with uniform 5000-foot (1524-m) lateral spacing was converted to 4 layers with 500-foot (152-m) spacing in the top glacial (Quaternary) layer, where surface water features are located, overlying coarser resolution layers representing deeper deposits. This semi-structured version of the LMB model reproduces regional flow conditions, whereas the finer resolution in the top layer improves the accuracy of the simulated response of surface water to shallow wells. One application of the semi-structured LMB model is to provide statistical measures of the correlation between modeled inputs and the simulated amount of water that wells derive from local surface water. The relations identified in this paper serve as the basis for metamodels to predict (with uncertainty) surface-water depletion in response to shallow pumping within and potentially beyond the modeled area, see Fienen et al. (2015a). Published 2016. This article is a U.S. Government work and is in the public domain in the USA.

Medical applications of model-based dynamic thermography

NASA Astrophysics Data System (ADS)

Nowakowski, Antoni; Kaczmarek, Mariusz; Ruminski, Jacek; Hryciuk, Marcin; Renkielska, Alicja; Grudzinski, Jacek; Siebert, Janusz; Jagielak, Dariusz; Rogowski, Jan; Roszak, Krzysztof; Stojek, Wojciech

2001-03-01

The proposal to use active thermography in medical diagnostics is promising in some applications concerning investigation of directly accessible parts of the human body. The combination of dynamic thermograms with thermal models of investigated structures gives attractive possibility to make internal structure reconstruction basing on different thermal properties of biological tissues. Measurements of temperature distribution synchronized with external light excitation allow registration of dynamic changes of local temperature dependent on heat exchange conditions. Preliminary results of active thermography applications in medicine are discussed. For skin and under- skin tissues an equivalent thermal model may be determined. For the assumed model its effective parameters may be reconstructed basing on the results of transient thermal processes. For known thermal diffusivity and conductivity of specific tissues the local thickness of a two or three layer structure may be calculated. Results of some medical cases as well as reference data of in vivo study on animals are presented. The method was also applied to evaluate the state of the human heart during the open chest cardio-surgical interventions. Reference studies of evoked heart infarct in pigs are referred, too. We see the proposed new in medical applications technique as a promising diagnostic tool. It is a fully non-invasive, clean, handy, fast and affordable method giving not only qualitative view of investigated surfaces but also an objective quantitative measurement result, accurate enough for many applications including fast screening of affected tissues.

Applications of Artificial Neural Networks in Structural Engineering with Emphasis on Continuum Models

NASA Technical Reports Server (NTRS)

Kapania, Rakesh K.; Liu, Youhua

1998-01-01

The use of continuum models for the analysis of discrete built-up complex aerospace structures is an attractive idea especially at the conceptual and preliminary design stages. But the diversity of available continuum models and hard-to-use qualities of these models have prevented them from finding wide applications. In this regard, Artificial Neural Networks (ANN or NN) may have a great potential as these networks are universal approximators that can realize any continuous mapping, and can provide general mechanisms for building models from data whose input-output relationship can be highly nonlinear. The ultimate aim of the present work is to be able to build high fidelity continuum models for complex aerospace structures using the ANN. As a first step, the concepts and features of ANN are familiarized through the MATLAB NN Toolbox by simulating some representative mapping examples, including some problems in structural engineering. Then some further aspects and lessons learned about the NN training are discussed, including the performances of Feed-Forward and Radial Basis Function NN when dealing with noise-polluted data and the technique of cross-validation. Finally, as an example of using NN in continuum models, a lattice structure with repeating cells is represented by a continuum beam whose properties are provided by neural networks.

Lewis Structures Technology, 1988. Volume 2: Structural Mechanics

NASA Technical Reports Server (NTRS)

1988-01-01

Lewis Structures Div. performs and disseminates results of research conducted in support of aerospace engine structures. These results have a wide range of applicability to practitioners of structural engineering mechanics beyond the aerospace arena. The engineering community was familiarized with the depth and range of research performed by the division and its academic and industrial partners. Sessions covered vibration control, fracture mechanics, ceramic component reliability, parallel computing, nondestructive evaluation, constitutive models and experimental capabilities, dynamic systems, fatigue and damage, wind turbines, hot section technology (HOST), aeroelasticity, structural mechanics codes, computational methods for dynamics, structural optimization, and applications of structural dynamics, and structural mechanics computer codes.

W3MAMCAT: a world wide web based tool for mammillary and catenary compartmental modeling and expert system distinguishability.

PubMed

Russell, Solomon; Distefano, Joseph J

2006-07-01

W(3)MAMCAT is a new web-based and interactive system for building and quantifying the parameters or parameter ranges of n-compartment mammillary and catenary model structures, with input and output in the first compartment, from unstructured multiexponential (sum-of-n-exponentials) models. It handles unidentifiable as well as identifiable models and, as such, provides finite parameter interval solutions for unidentifiable models, whereas direct parameter search programs typically do not. It also tutorially develops the theory of model distinguishability for same order mammillary versus catenary models, as did its desktop application predecessor MAMCAT+. This includes expert system analysis for distinguishing mammillary from catenary structures, given input and output in similarly numbered compartments. W(3)MAMCAT provides for universal deployment via the internet and enhanced application error checking. It uses supported Microsoft technologies to form an extensible application framework for maintaining a stable and easily updatable application. Most important, anybody, anywhere, is welcome to access it using Internet Explorer 6.0 over the internet for their teaching or research needs. It is available on the Biocybernetics Laboratory website at UCLA: www.biocyb.cs.ucla.edu.

Combinatorial structures to modeling simple games and applications

NASA Astrophysics Data System (ADS)

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.

Molecular Dynamics Visualization (MDV): Stereoscopic 3D Display of Biomolecular Structure and Interactions Using the Unity Game Engine.

PubMed

Wiebrands, Michael; Malajczuk, Chris J; Woods, Andrew J; Rohl, Andrew L; Mancera, Ricardo L

2018-06-21

Molecular graphics systems are visualization tools which, upon integration into a 3D immersive environment, provide a unique virtual reality experience for research and teaching of biomolecular structure, function and interactions. We have developed a molecular structure and dynamics application, the Molecular Dynamics Visualization tool, that uses the Unity game engine combined with large scale, multi-user, stereoscopic visualization systems to deliver an immersive display experience, particularly with a large cylindrical projection display. The application is structured to separate the biomolecular modeling and visualization systems. The biomolecular model loading and analysis system was developed as a stand-alone C# library and provides the foundation for the custom visualization system built in Unity. All visual models displayed within the tool are generated using Unity-based procedural mesh building routines. A 3D user interface was built to allow seamless dynamic interaction with the model while being viewed in 3D space. Biomolecular structure analysis and display capabilities are exemplified with a range of complex systems involving cell membranes, protein folding and lipid droplets.

A LEAST ABSOLUTE SHRINKAGE AND SELECTION OPERATOR (LASSO) FOR NONLINEAR SYSTEM IDENTIFICATION

NASA Technical Reports Server (NTRS)

Kukreja, Sunil L.; Lofberg, Johan; Brenner, Martin J.

2006-01-01

Identification of parametric nonlinear models involves estimating unknown parameters and detecting its underlying structure. Structure computation is concerned with selecting a subset of parameters to give a parsimonious description of the system which may afford greater insight into the functionality of the system or a simpler controller design. In this study, a least absolute shrinkage and selection operator (LASSO) technique is investigated for computing efficient model descriptions of nonlinear systems. The LASSO minimises the residual sum of squares by the addition of a 1 penalty term on the parameter vector of the traditional 2 minimisation problem. Its use for structure detection is a natural extension of this constrained minimisation approach to pseudolinear regression problems which produces some model parameters that are exactly zero and, therefore, yields a parsimonious system description. The performance of this LASSO structure detection method was evaluated by using it to estimate the structure of a nonlinear polynomial model. Applicability of the method to more complex systems such as those encountered in aerospace applications was shown by identifying a parsimonious system description of the F/A-18 Active Aeroelastic Wing using flight test data.

An object-oriented framework for distributed hydrologic and geomorphic modeling using triangulated irregular networks

NASA Astrophysics Data System (ADS)

Tucker, Gregory E.; Lancaster, Stephen T.; Gasparini, Nicole M.; Bras, Rafael L.; Rybarczyk, Scott M.

2001-10-01

We describe a new set of data structures and algorithms for dynamic terrain modeling using a triangulated irregular network (TINs). The framework provides an efficient method for storing, accessing, and updating a Delaunay triangulation and its associated Voronoi diagram. The basic data structure consists of three interconnected data objects: triangles, nodes, and directed edges. Encapsulating each of these geometric elements within a data object makes it possible to essentially decouple the TIN representation from the modeling applications that make use of it. Both the triangulation and its corresponding Voronoi diagram can be rapidly retrieved or updated, making these methods well suited to adaptive remeshing schemes. We develop a set of algorithms for defining drainage networks and identifying closed depressions (e.g., lakes) for hydrologic and geomorphic modeling applications. We also outline simple numerical algorithms for solving network routing and 2D transport equations within the TIN framework. The methods are illustrated with two example applications, a landscape evolution model and a distributed rainfall-runoff model.

Layers: A molecular surface peeling algorithm and its applications to analyze protein structures

PubMed Central

Karampudi, Naga Bhushana Rao; Bahadur, Ranjit Prasad

2015-01-01

We present an algorithm ‘Layers’ to peel the atoms of proteins as layers. Using Layers we show an efficient way to transform protein structures into 2D pattern, named residue transition pattern (RTP), which is independent of molecular orientations. RTP explains the folding patterns of proteins and hence identification of similarity between proteins is simple and reliable using RTP than with the standard sequence or structure based methods. Moreover, Layers generates a fine-tunable coarse model for the molecular surface by using non-random sampling. The coarse model can be used for shape comparison, protein recognition and ligand design. Additionally, Layers can be used to develop biased initial configuration of molecules for protein folding simulations. We have developed a random forest classifier to predict the RTP of a given polypeptide sequence. Layers is a standalone application; however, it can be merged with other applications to reduce the computational load when working with large datasets of protein structures. Layers is available freely at http://www.csb.iitkgp.ernet.in/applications/mol_layers/main. PMID:26553411

Damage evaluation by a guided wave-hidden Markov model based method

NASA Astrophysics Data System (ADS)

Mei, Hanfei; Yuan, Shenfang; Qiu, Lei; Zhang, Jinjin

2016-02-01

Guided wave based structural health monitoring has shown great potential in aerospace applications. However, one of the key challenges of practical engineering applications is the accurate interpretation of the guided wave signals under time-varying environmental and operational conditions. This paper presents a guided wave-hidden Markov model based method to improve the damage evaluation reliability of real aircraft structures under time-varying conditions. In the proposed approach, an HMM based unweighted moving average trend estimation method, which can capture the trend of damage propagation from the posterior probability obtained by HMM modeling is used to achieve a probabilistic evaluation of the structural damage. To validate the developed method, experiments are performed on a hole-edge crack specimen under fatigue loading condition and a real aircraft wing spar under changing structural boundary conditions. Experimental results show the advantage of the proposed method.

Effect of Interface Structure on Mechanical Properties of Advanced Composite Materials

PubMed Central

Gan, Yong X.

2009-01-01

This paper deals with the effect of interface structures on the mechanical properties of fiber reinforced composite materials. First, the background of research, development and applications on hybrid composite materials is introduced. Second, metal/polymer composite bonded structures are discussed. Then, the rationale is given for nanostructuring the interface in composite materials and structures by introducing nanoscale features such as nanopores and nanofibers. The effects of modifying matrices and nano-architecturing interfaces on the mechanical properties of nanocomposite materials are examined. A nonlinear damage model for characterizing the deformation behavior of polymeric nanocomposites is presented and the application of this model to carbon nanotube-reinforced and reactive graphite nanotube-reinforced epoxy composite materials is shown. PMID:20054466

To Be or Not to Be an Entrepreneur: Applying a Normative Model to Career Decisions

ERIC Educational Resources Information Center

Callanan, Gerard A.; Zimmerman, Monica

2016-01-01

Reflecting the need for a better and broader understanding of the factors influencing the choices to enter into or exit an entrepreneurial career, this article applies a structured, normative model of career management to the career decision-making of entrepreneurs. The application of a structured model can assist career counselors, college career…

Probabilistic evaluation of SSME structural components

NASA Astrophysics Data System (ADS)

Rajagopal, K. R.; Newell, J. F.; Ho, H.

1991-05-01

The application is described of Composite Load Spectra (CLS) and Numerical Evaluation of Stochastic Structures Under Stress (NESSUS) family of computer codes to the probabilistic structural analysis of four Space Shuttle Main Engine (SSME) space propulsion system components. These components are subjected to environments that are influenced by many random variables. The applications consider a wide breadth of uncertainties encountered in practice, while simultaneously covering a wide area of structural mechanics. This has been done consistent with the primary design requirement for each component. The probabilistic application studies are discussed using finite element models that have been typically used in the past in deterministic analysis studies.

Advantages and pitfalls in the application of mixed-model association methods.

PubMed

Yang, Jian; Zaitlen, Noah A; Goddard, Michael E; Visscher, Peter M; Price, Alkes L

2014-02-01

Mixed linear models are emerging as a method of choice for conducting genetic association studies in humans and other organisms. The advantages of the mixed-linear-model association (MLMA) method include the prevention of false positive associations due to population or relatedness structure and an increase in power obtained through the application of a correction that is specific to this structure. An underappreciated point is that MLMA can also increase power in studies without sample structure by implicitly conditioning on associated loci other than the candidate locus. Numerous variations on the standard MLMA approach have recently been published, with a focus on reducing computational cost. These advances provide researchers applying MLMA methods with many options to choose from, but we caution that MLMA methods are still subject to potential pitfalls. Here we describe and quantify the advantages and pitfalls of MLMA methods as a function of study design and provide recommendations for the application of these methods in practical settings.

The Search for Efficiency in Arboreal Ray Tracing Applications

NASA Astrophysics Data System (ADS)

van Leeuwen, M.; Disney, M.; Chen, J. M.; Gomez-Dans, J.; Kelbe, D.; van Aardt, J. A.; Lewis, P.

2016-12-01

Forest structure significantly impacts a range of abiotic conditions, including humidity and the radiation regime, all of which affect the rate of net and gross primary productivity. Current forest productivity models typically consider abstract media to represent the transfer of radiation within the canopy. Examples include the representation forest structure via a layered canopy model, where leaf area and inclination angles are stratified with canopy depth, or as turbid media where leaves are randomly distributed within space or within confined geometric solids such as blocks, spheres or cones. While these abstract models are known to produce accurate estimates of primary productivity at the stand level, their limited geometric resolution restricts applicability at fine spatial scales, such as the cell, leaf or shoot levels, thereby not addressing the full potential of assimilation of data from laboratory and field measurements with that of remote sensing technology. Recent research efforts have explored the use of laser scanning to capture detailed tree morphology at millimeter accuracy. These data can subsequently be used to combine ray tracing with primary productivity models, providing an ability to explore trade-offs among different morphological traits or assimilate data from spatial scales, spanning the leaf- to the stand level. Ray tracing has a major advantage of allowing the most accurate structural description of the canopy, and can directly exploit new 3D structural measurements, e.g., from laser scanning. However, the biggest limitation of ray tracing models is their high computational cost, which currently limits their use for large-scale applications. In this talk, we explore ways to more efficiently exploit ray tracing simulations and capture this information in a readily computable form for future evaluation, thus potentially enabling large-scale first-principles forest growth modelling applications.

Application of Lanczos vectors to control design of flexible structures, part 2

NASA Technical Reports Server (NTRS)

Craig, Roy R., Jr.; Su, Tzu-Jeng

1992-01-01

This report covers the period of the grant from January 1991 until its expiration in June 1992. Together with an Interim Report (Ref. 9), it summarizes the research conducted under NASA Grant NAG9-357 on the topic 'Application of Lanczos Vectors to Control Design of Flexible Structures.' The research concerns various ways to obtain reduced-order mathematical models of complex structures for use in dynamics analysis and in the design of control systems for these structures. This report summarizes the research.

New generation of elastic network models.

PubMed

López-Blanco, José Ramón; Chacón, Pablo

2016-04-01

The intrinsic flexibility of proteins and nucleic acids can be grasped from remarkably simple mechanical models of particles connected by springs. In recent decades, Elastic Network Models (ENMs) combined with Normal Model Analysis widely confirmed their ability to predict biologically relevant motions of biomolecules and soon became a popular methodology to reveal large-scale dynamics in multiple structural biology scenarios. The simplicity, robustness, low computational cost, and relatively high accuracy are the reasons behind the success of ENMs. This review focuses on recent advances in the development and application of ENMs, paying particular attention to combinations with experimental data. Successful application scenarios include large macromolecular machines, structural refinement, docking, and evolutionary conservation. Copyright © 2015 Elsevier Ltd. All rights reserved.

Dynamic GSCA (Generalized Structured Component Analysis) with Applications to the Analysis of Effective Connectivity in Functional Neuroimaging Data

ERIC Educational Resources Information Center

Jung, Kwanghee; Takane, Yoshio; Hwang, Heungsun; Woodward, Todd S.

2012-01-01

We propose a new method of structural equation modeling (SEM) for longitudinal and time series data, named Dynamic GSCA (Generalized Structured Component Analysis). The proposed method extends the original GSCA by incorporating a multivariate autoregressive model to account for the dynamic nature of data taken over time. Dynamic GSCA also…

Handling of subpixel structures in the application of satellite derived irradiance data for solar energy system analysis - a review

NASA Astrophysics Data System (ADS)

Beyer, Hans Georg

2016-04-01

With the increasing availability of satellite derived irradiance information, this type of data set is more and more in use for the design and operation of solar energy systems, most notably PV- and CSP-systems. By this, the need for data measured on-site is reduced. However, due to basic limitations of the satellite-derived data, several requirements put by the intended application cannot be coped with this data type directly. Traw satellite information has to be enhanced in both space and time resolution by additional information to be fully applicable for all aspects of the modelling od solar energy systems. To cope with this problem, several individual and collaborative projects had been performed in the recent years or are ongoing. Approaches are on one hand based on pasting synthesized high-resolution data into the low-resolution original sets. Pre-requite is an appropriate model, validated against real world data. For the case of irradiance data, these models can be extracted either directly from ground measured data sets or from data referring to the cloud situation as gained from the images of sky cameras or from monte -carlo initialized physical models. The current models refer to the spatial structure of the cloud fields. Dynamics are imposed by moving the cloud structures according to a large scale cloud motion vector, either extracted from the dynamics interfered from consecutive satellite images or taken from a meso-scale meteorological model. Dynamic irradiance information is then derived from the cloud field structure and the cloud motion vector. This contribution, which is linked to subtask A - Solar Resource Applications for High Penetration of Solar Technologies - of IEA SHC task 46, will present the different approaches and discuss examples in view of validation, need for auxiliary information and respective general applicability.

Analyses of Genotypic Diversity among North, South, and Central American Isolates of Sugarcane Yellow Leaf Virus: Evidence for Colombian Origins and for Intraspecific Spatial Phylogenetic Variation

PubMed Central

Moonan, Francis; Mirkov, T. Erik

2002-01-01

We have analyzed the genotypic diversity of Sugarcane yellow leaf virus (SCYLV) collected from North, South, and Central America by fingerprinting assays and selective cDNA cloning and sequencing. One group of isolates from Colombia, designated the C-population, has been identified as residing at the root node between a separable superpopulation structure of SCYLV and other members of the family Luteoviridae, indicating that the progenitor viruses of the North, South, and Central American isolates of the SCYLV superpopulation most likely arose from a C-population structure. From a model of intrafamilial evolution (F. Moonan et al., Virology 269:156–171, 2000), a prediction could be made that within the SCYLV species, the capacity of genomic sequence divergence would range from lowest in the capsid protein open reading frame 3 (ORF 3) to highest in a region spanning across the carboxy-terminal end of the RNA-dependent RNA polymerase ORF. We have demonstrated the validity and applicability of this intrafamilial model for the prediction of intraspecies SCYLV diversity. Analysis of spatial phylogenetic variation (SPV) within the SCYLV isolates could not be assessed by application of a “partial likelihoods assessed through optimization” (PLATO)-derived intraspecies model alone. However, application of a PLATO-derived intrafamilial model with the intraspecies-derived model allowed distinction of three forms of SPV. Two of the SPV forms identified correspond to the extremes in a continuum of sequence evolution displayed in a SCYLV superpopulation structure, and the third form was diagnostic of a C-population structure. The application of these types of models has value in terms of predicting the types of SCYLV intraspecies diversity that may exist worldwide, and in general, may be useful in application for more informed design of transgenes for use in the elicitation of homology-dependent virus resistance mechanisms in transgenic plants. PMID:11773408

Template-based structure modeling of protein-protein interactions

PubMed Central

Szilagyi, Andras; Zhang, Yang

2014-01-01

The structure of protein-protein complexes can be constructed by using the known structure of other protein complexes as a template. The complex structure templates are generally detected either by homology-based sequence alignments or, given the structure of monomer components, by structure-based comparisons. Critical improvements have been made in recent years by utilizing interface recognition and by recombining monomer and complex template libraries. Encouraging progress has also been witnessed in genome-wide applications of template-based modeling, with modeling accuracy comparable to high-throughput experimental data. Nevertheless, bottlenecks exist due to the incompleteness of the proteinprotein complex structure library and the lack of methods for distant homologous template identification and full-length complex structure refinement. PMID:24721449

Environmentally friendly gamma-MnO2 hexagon-based nanoarchitectures: structural understanding and their energy-saving applications.

PubMed

Wu, Changzheng; Xie, Wei; Zhang, Miao; Bai, Liangfei; Yang, Jinlong; Xie, Yi

2009-01-01

Although about 200,000 metric tons of gamma-MnO(2) are used annually worldwide for industrial applications, the gamma-MnO(2) structure is still known to possess a highly ambiguous crystal lattice. To better understand the gamma-MnO(2) atomic structure, hexagon-based nanoarchitectures were successfully synthesized and used to elucidate its internal structure for the present work. The structural analysis results, obtained from the hexagon-based nanoarchitectures, clearly show the coexistence of akhtenskite (epsilon-MnO(2)), pyrolusite (beta-MnO(2)), and ramsdellite in the so-called gamma-MnO(2) phase and verified the heterogeneous phase assembly of the gamma-MnO(2) state, which violates the well-known "De Wolff" model and derivative models, but partially accords with Heuer's results. Furthermore, heterogeneous gamma-MnO(2) assembly was found to be a metastable structure under hydrothermal conditions, and the individual components of the heterogeneous gamma-MnO(2) system have structural similarities and a high lattice matches with pyrolusite (beta-MnO(2)). The as-obtained gamma-MnO(2) nanoarchitectures are nontoxic and environmentally friendly, and the application of such nanoarchitectures as support matrices successfully mitigates the common problems for phase-change materials of inorganic salts, such as phase separation and supercooling-effects, thereby showing prospect in energy-saving applications in future "smart-house" systems.

Combined electrochemical, heat generation, and thermal model for large prismatic lithium-ion batteries in real-time applications

NASA Astrophysics Data System (ADS)

Farag, Mohammed; Sweity, Haitham; Fleckenstein, Matthias; Habibi, Saeid

2017-08-01

Real-time prediction of the battery's core temperature and terminal voltage is very crucial for an accurate battery management system. In this paper, a combined electrochemical, heat generation, and thermal model is developed for large prismatic cells. The proposed model consists of three sub-models, an electrochemical model, heat generation model, and thermal model which are coupled together in an iterative fashion through physicochemical temperature dependent parameters. The proposed parameterization cycles identify the sub-models' parameters separately by exciting the battery under isothermal and non-isothermal operating conditions. The proposed combined model structure shows accurate terminal voltage and core temperature prediction at various operating conditions while maintaining a simple mathematical structure, making it ideal for real-time BMS applications. Finally, the model is validated against both isothermal and non-isothermal drive cycles, covering a broad range of C-rates, and temperature ranges [-25 °C to 45 °C].

Bias-Corrected Estimation of Noncentrality Parameters of Covariance Structure Models

ERIC Educational Resources Information Center

Raykov, Tenko

2005-01-01

A bias-corrected estimator of noncentrality parameters of covariance structure models is discussed. The approach represents an application of the bootstrap methodology for purposes of bias correction, and utilizes the relation between average of resample conventional noncentrality parameter estimates and their sample counterpart. The…

Investigation of an HMM/ANN hybrid structure in pattern recognition application using cepstral analysis of dysarthric (distorted) speech signals.

PubMed

Polur, Prasad D; Miller, Gerald E

2006-10-01

Computer speech recognition of individuals with dysarthria, such as cerebral palsy patients requires a robust technique that can handle conditions of very high variability and limited training data. In this study, application of a 10 state ergodic hidden Markov model (HMM)/artificial neural network (ANN) hybrid structure for a dysarthric speech (isolated word) recognition system, intended to act as an assistive tool, was investigated. A small size vocabulary spoken by three cerebral palsy subjects was chosen. The effect of such a structure on the recognition rate of the system was investigated by comparing it with an ergodic hidden Markov model as a control tool. This was done in order to determine if this modified technique contributed to enhanced recognition of dysarthric speech. The speech was sampled at 11 kHz. Mel frequency cepstral coefficients were extracted from them using 15 ms frames and served as training input to the hybrid model setup. The subsequent results demonstrated that the hybrid model structure was quite robust in its ability to handle the large variability and non-conformity of dysarthric speech. The level of variability in input dysarthric speech patterns sometimes limits the reliability of the system. However, its application as a rehabilitation/control tool to assist dysarthric motor impaired individuals holds sufficient promise.

The chemistry side of AOP: implications for toxicity ...

EPA Pesticide Factsheets

An adverse outcome pathway (AOP) is a structured representation of the biological events that lead to adverse impacts following a molecular initiating event caused by chemical interaction with a macromolecule. AOPs have been proposed to facilitate toxicity extrapolation across species through understanding of species similarity in the sequence of molecular, cellular, organ and organismal level responses. However, AOPs are non-specific regarding the identity of the chemical initiators, and the range of structures for which an AOP is considered applicable has generally been poorly defined. Applicability domain has been widely understood in the field of QSAR as the response and chemical structure space in which the model makes predictions with a given reliability, and has been traditionally applied to define the similarity of query molecules within the training set. Three dimensional (3D) receptor modeling offers an approach to better define the applicability domain for selected AOPs through determination of the chemical space of the molecular initiating event. Universal 3D-QSAR models were developed for acetylcholinesterase inhibitors and estrogen receptor agonists and antagonists using a combination of fingerprint, molecular docking and structure-based pharmacophore approaches. The models were based on the critical molecular interactions within each receptor ligand binding domain, and included the key amino acid residues responsible for high binding affinity. T

Outcome of a Workshop on Applications of Protein Models in Biomedical Research

PubMed Central

Schwede, Torsten; Sali, Andrej; Honig, Barry; Levitt, Michael; Berman, Helen M.; Jones, David; Brenner, Steven E.; Burley, Stephen K.; Das, Rhiju; Dokholyan, Nikolay V.; Dunbrack, Roland L.; Fidelis, Krzysztof; Fiser, Andras; Godzik, Adam; Huang, Yuanpeng Janet; Humblet, Christine; Jacobson, Matthew P.; Joachimiak, Andrzej; Krystek, Stanley R.; Kortemme, Tanja; Kryshtafovych, Andriy; Montelione, Gaetano T.; Moult, John; Murray, Diana; Sanchez, Roberto; Sosnick, Tobin R.; Standley, Daron M.; Stouch, Terry; Vajda, Sandor; Vasquez, Max; Westbrook, John D.; Wilson, Ian A.

2009-01-01

Summary We describe the proceedings and conclusions from a “Workshop on Applications of Protein Models in Biomedical Research” that was held at University of California at San Francisco on 11 and 12 July, 2008. At the workshop, international scientists involved with structure modeling explored (i) how models are currently used in biomedical research, (ii) what the requirements and challenges for different applications are, and (iii) how the interaction between the computational and experimental research communities could be strengthened to advance the field. PMID:19217386

An application of holographic interferometry for dynamic vibration analysis of a jet engine turbine compressor rotor

NASA Astrophysics Data System (ADS)

Fein, Howard

2003-09-01

Holographic Interferometry has been successfully employed to characterize the materials and behavior of diverse types of structures under dynamic stress. Specialized variations of this technology have also been applied to define dynamic and vibration related structural behavior. Such applications of holographic technique offer some of the most effective methods of modal and dynamic analysis available. Real-time dynamic testing of the modal and mechanical behavior of jet engine turbine, rotor, vane, and compressor structures has always required advanced instrumentation for data collection in either simulated flight operation test or computer-based modeling and simulations. Advanced optical holography techniques are alternate methods which result in actual full-field behavioral data in a noninvasive, noncontact environment. These methods offer significant insight in both the development and subsequent operational test and modeling of advanced jet engine turbine and compressor rotor structures and their integration with total vehicle system dynamics. Structures and materials can be analyzed with very low amplitude excitation and the resultant data can be used to adjust the accuracy of mathematically derived structural and behavioral models. Holographic Interferometry offers a powerful tool to aid in the developmental engineering of turbine rotor and compressor structures for high stress applications. Aircraft engine applications in particular most consider operational environments where extremes in vibration and impulsive as well as continuous mechanical stress can affect both operation and structural stability. These considerations present ideal requisites for analysis using advanced holographic methods in the initial design and test of turbine rotor components. Holographic techniques are nondestructive, real-time, and definitive in allowing the identification of vibrational modes, displacements, and motion geometries. Such information can be crucial to the determination of mechanical configurations and designs as well as critical operational parameters of turbine structural components or unit turbine components fabricated from advanced and exotic new materials or using new fabrication methods. Anomalous behavioral characteristics can be directly related to hidden structural or mounting anomalies and defects.

Comparative Protein Structure Modeling Using MODELLER.

PubMed

Webb, Benjamin; Sali, Andrej

2014-09-08

Functional characterization of a protein sequence is one of the most frequent problems in biology. This task is usually facilitated by accurate three-dimensional (3-D) structure of the studied protein. In the absence of an experimentally determined structure, comparative or homology modeling can sometimes provide a useful 3-D model for a protein that is related to at least one known protein structure. Comparative modeling predicts the 3-D structure of a given protein sequence (target) based primarily on its alignment to one or more proteins of known structure (templates). The prediction process consists of fold assignment, target-template alignment, model building, and model evaluation. This unit describes how to calculate comparative models using the program MODELLER and discusses all four steps of comparative modeling, frequently observed errors, and some applications. Modeling lactate dehydrogenase from Trichomonas vaginalis (TvLDH) is described as an example. The download and installation of the MODELLER software is also described. Copyright © 2014 John Wiley & Sons, Inc.

Software reliability: Application of a reliability model to requirements error analysis

NASA Technical Reports Server (NTRS)

Logan, J.

1980-01-01

The application of a software reliability model having a well defined correspondence of computer program properties to requirements error analysis is described. Requirements error categories which can be related to program structural elements are identified and their effect on program execution considered. The model is applied to a hypothetical B-5 requirement specification for a program module.

Review On Applications Of Neural Network To Computer Vision

NASA Astrophysics Data System (ADS)

Li, Wei; Nasrabadi, Nasser M.

1989-03-01

Neural network models have many potential applications to computer vision due to their parallel structures, learnability, implicit representation of domain knowledge, fault tolerance, and ability of handling statistical data. This paper demonstrates the basic principles, typical models and their applications in this field. Variety of neural models, such as associative memory, multilayer back-propagation perceptron, self-stabilized adaptive resonance network, hierarchical structured neocognitron, high order correlator, network with gating control and other models, can be applied to visual signal recognition, reinforcement, recall, stereo vision, motion, object tracking and other vision processes. Most of the algorithms have been simulated on com-puters. Some have been implemented with special hardware. Some systems use features, such as edges and profiles, of images as the data form for input. Other systems use raw data as input signals to the networks. We will present some novel ideas contained in these approaches and provide a comparison of these methods. Some unsolved problems are mentioned, such as extracting the intrinsic properties of the input information, integrating those low level functions to a high-level cognitive system, achieving invariances and other problems. Perspectives of applications of some human vision models and neural network models are analyzed.

On domain modelling of the service system with its application to enterprise information systems

NASA Astrophysics Data System (ADS)

Wang, J. W.; Wang, H. F.; Ding, J. L.; Furuta, K.; Kanno, T.; Ip, W. H.; Zhang, W. J.

2016-01-01

Information systems are a kind of service systems and they are throughout every element of a modern industrial and business system, much like blood in our body. Types of information systems are heterogeneous because of extreme uncertainty in changes in modern industrial and business systems. To effectively manage information systems, modelling of the work domain (or domain) of information systems is necessary. In this paper, a domain modelling framework for the service system is proposed and its application to the enterprise information system is outlined. The framework is defined based on application of a general domain modelling tool called function-context-behaviour-principle-state-structure (FCBPSS). The FCBPSS is based on a set of core concepts, namely: function, context, behaviour, principle, state and structure and system decomposition. Different from many other applications of FCBPSS in systems engineering, the FCBPSS is applied to both infrastructure and substance systems, which is novel and effective to modelling of service systems including enterprise information systems. It is to be noted that domain modelling of systems (e.g. enterprise information systems) is a key to integration of heterogeneous systems and to coping with unanticipated situations facing to systems.

Fast structure similarity searches among protein models: efficient clustering of protein fragments

PubMed Central

2012-01-01

Background For many predictive applications a large number of models is generated and later clustered in subsets based on structure similarity. In most clustering algorithms an all-vs-all root mean square deviation (RMSD) comparison is performed. Most of the time is typically spent on comparison of non-similar structures. For sets with more than, say, 10,000 models this procedure is very time-consuming and alternative faster algorithms, restricting comparisons only to most similar structures would be useful. Results We exploit the inverse triangle inequality on the RMSD between two structures given the RMSDs with a third structure. The lower bound on RMSD may be used, when restricting the search of similarity to a reasonably low RMSD threshold value, to speed up similarity searches significantly. Tests are performed on large sets of decoys which are widely used as test cases for predictive methods, with a speed-up of up to 100 times with respect to all-vs-all comparison depending on the set and parameters used. Sample applications are shown. Conclusions The algorithm presented here allows fast comparison of large data sets of structures with limited memory requirements. As an example of application we present clustering of more than 100000 fragments of length 5 from the top500H dataset into few hundred representative fragments. A more realistic scenario is provided by the search of similarity within the very large decoy sets used for the tests. Other applications regard filtering nearly-indentical conformation in selected CASP9 datasets and clustering molecular dynamics snapshots. Availability A linux executable and a Perl script with examples are given in the supplementary material (Additional file 1). The source code is available upon request from the authors. PMID:22642815

Fine reservoir structure modeling based upon 3D visualized stratigraphic correlation between horizontal wells: methodology and its application

NASA Astrophysics Data System (ADS)

Chenghua, Ou; Chaochun, Li; Siyuan, Huang; Sheng, James J.; Yuan, Xu

2017-12-01

As the platform-based horizontal well production mode has been widely applied in petroleum industry, building a reliable fine reservoir structure model by using horizontal well stratigraphic correlation has become very important. Horizontal wells usually extend between the upper and bottom boundaries of the target formation, with limited penetration points. Using these limited penetration points to conduct well deviation correction means the formation depth information obtained is not accurate, which makes it hard to build a fine structure model. In order to solve this problem, a method of fine reservoir structure modeling, based on 3D visualized stratigraphic correlation among horizontal wells, is proposed. This method can increase the accuracy when estimating the depth of the penetration points, and can also effectively predict the top and bottom interfaces in the horizontal penetrating section. Moreover, this method will greatly increase not only the number of points of depth data available, but also the accuracy of these data, which achieves the goal of building a reliable fine reservoir structure model by using the stratigraphic correlation among horizontal wells. Using this method, four 3D fine structure layer models have been successfully built of a specimen shale gas field with platform-based horizontal well production mode. The shale gas field is located to the east of Sichuan Basin, China; the successful application of the method has proven its feasibility and reliability.

An elastic-plastic contact model for line contact structures

NASA Astrophysics Data System (ADS)

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.

Model verification of large structural systems. [space shuttle model response

NASA Technical Reports Server (NTRS)

Lee, L. T.; Hasselman, T. K.

1978-01-01

A computer program for the application of parameter identification on the structural dynamic models of space shuttle and other large models with hundreds of degrees of freedom is described. Finite element, dynamic, analytic, and modal models are used to represent the structural system. The interface with math models is such that output from any structural analysis program applied to any structural configuration can be used directly. Processed data from either sine-sweep tests or resonant dwell tests are directly usable. The program uses measured modal data to condition the prior analystic model so as to improve the frequency match between model and test. A Bayesian estimator generates an improved analytical model and a linear estimator is used in an iterative fashion on highly nonlinear equations. Mass and stiffness scaling parameters are generated for an improved finite element model, and the optimum set of parameters is obtained in one step.

A structural model for composite rotor blades and lifting surfaces

NASA Technical Reports Server (NTRS)

Rehfield, Lawrence W.; Atilgan, Ali R.

1987-01-01

Composite material systems are currently candidates for aerospace structures, primarily for the design flexibiity they offer i.e., it is possible to tailor the material and manufacturing approach to the application. Two notable examples are the wing of the Grumman/USAF/DARPA X-29 and rotor blades under development by the U.S.A. Aerostructures Directorate (AVSCOM), Langley Research Center. 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 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 improve the single-cell beam model for composite rotor blades or lifting surfaces and to demonstrate its usefullness in applications.

Assessment and Therapeutic Application of the Expressive Therapies Continuum: Implications for Brain Structures and Functions

ERIC Educational Resources Information Center

Lusebrink, Vija B.

2010-01-01

The Expressive Therapies Continuum (ETC) provides a theoretical model for art-based assessments and applications of media in art therapy. The three levels of the ETC (Kinesthetic/Sensory, Perceptual/Affective, and Cognitive/Symbolic) appear to reflect different functions and structures in the brain that process visual and affective information.…

MMM: A toolbox for integrative structure modeling.

PubMed

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.

Optimal estimation of large structure model errors. [in Space Shuttle controller design

NASA Technical Reports Server (NTRS)

Rodriguez, G.

1979-01-01

In-flight estimation of large structure model errors is usually required as a means of detecting inevitable deficiencies in large structure controller/estimator models. The present paper deals with a least-squares formulation which seeks to minimize a quadratic functional of the model errors. The properties of these error estimates are analyzed. It is shown that an arbitrary model error can be decomposed as the sum of two components that are orthogonal in a suitably defined function space. Relations between true and estimated errors are defined. The estimates are found to be approximations that retain many of the significant dynamics of the true model errors. Current efforts are directed toward application of the analytical results to a reference large structure model.

An Overview of Materials Structures for Extreme Environments Efforts for 2015 SBIR Phases I and II

NASA Technical Reports Server (NTRS)

Nguyen, Hung D.; Steele, Gynelle C.

2017-01-01

Technological innovation is the overall focus of NASA's Small Business Innovation Research (SBIR) program. The program invests in the development of innovative concepts and technologies to help NASA's mission directorates address critical research and development needs for Agency projects. This report highlights innovative SBIR 2015 Phase I and II projects that specifically address areas in Materials and Structures for Extreme Environments, one of six core competencies at NASA Glenn Research Center. Each article describes an innovation, defines its technical objective, and highlights NASA applications as well as commercial and industrial applications. Ten technologies are featured: metamaterials-inspired aerospace structures, metallic joining to advanced ceramic composites, multifunctional polyolefin matrix composite structures, integrated reacting fluid dynamics and predictive materials degradation models for propulsion system conditions, lightweight inflatable structural airlock (LISA), copolymer materials for fused deposition modeling 3-D printing of nonstandard plastics, Type II strained layer superlattice materials development for space-based focal plane array applications, hydrogenous polymer-regolith composites for radiation-shielding materials, a ceramic matrix composite environmental barrier coating durability model, and advanced composite truss printing for large solar array structures. This report serves as an opportunity for NASA engineers, researchers, program managers, and other personnel to learn about innovations in this technology area as well as possibilities for collaboration with innovative small businesses that could benefit NASA programs and projects.

Mastodon

DOE Office of Scientific and Technical Information (OSTI.GOV)

Coleman, Justin Leigh; Veeraraghavan, Swetha; Bolisetti, Chandrakanth

MASTODON has the capability to model stochastic nonlinear soil-structure interaction (NLSSI) in a dynamic probabilistic risk assessment framework. The NLSSI simulations include structural dynamics, time integration, dynamic porous media flow, nonlinear hysteretic soil constitutive models, geometric nonlinearities (gapping, sliding, and uplift). MASTODON is also the MOOSE based master application for dynamic PRA of external hazards.

An automated curation procedure for addressing chemical errors and inconsistencies in public datasets used in QSAR modeling

EPA Science Inventory

Increasing availability of large collections of chemical structures and associated experimental data provides an opportunity to build robust QSAR models for applications in different fields. One common concern is the quality of both the chemical structure information and associat...

Equivalent-Continuum Modeling of Nano-Structured Materials

NASA Technical Reports Server (NTRS)

Odegard, Gregory M.; Gates, Thomas S.; Nicholson, Lee M.; Wise, Kristopher E.

2001-01-01

A method has been developed for modeling structure-property relationships of nano-structured materials. This method serves as a link between computational chemistry and solid mechanics by substituting discrete molecular structures with an equivalent-continuum model. It has been shown that this substitution may be accomplished by equating the vibrational potential energy of a nano-structured material with the strain energy of representative truss and continuum models. As an important example with direct application to the development and characterization of single-walled carbon nanotubes, the model has been applied to determine the effective continuum geometry of a graphene sheet. A representative volume element of the equivalent-continuum model has been developed with an effective thickness. This effective thickness has been shown to be similar to, but slightly smaller than, the interatomic spacing of graphite.

Fundamental studies of structure borne noise for advanced turboprop applications

NASA Technical Reports Server (NTRS)

Eversman, W.; Koval, L. R.

1985-01-01

The transmission of sound generated by wing-mounted, advanced turboprop engines into the cabin interior via structural paths is considered. The structural model employed is a beam representation of the wing box carried into the fuselage via a representative frame type of carry through structure. The structure for the cabin cavity is a stiffened shell of rectangular or cylindrical geometry. The structure is modelled using a finite element formulation and the acoustic cavity is modelled using an analytical representation appropriate for the geometry. The structural and acoustic models are coupled by the use of hard wall cavity modes for the interior and vacuum structural modes for the shell. The coupling is accomplished using a combination of analytical and finite element models. The advantage is the substantial reduction in dimensionality achieved by modelling the interior analytically. The mathematical model for the interior noise problem is demonstrated with a simple plate/cavity system which has all of the features of the fuselage interior noise problem.

Variable Complexity Optimization of Composite Structures

NASA Technical Reports Server (NTRS)

Haftka, Raphael T.

2002-01-01

The use of several levels of modeling in design has been dubbed variable complexity modeling. The work under the grant focused on developing variable complexity modeling strategies with emphasis on response surface techniques. Applications included design of stiffened composite plates for improved damage tolerance, the use of response surfaces for fitting weights obtained by structural optimization, and design against uncertainty using response surface techniques.

Parsimonious Structural Equation Models for Repeated Measures Data, with Application to the Study of Consumer Preferences

ERIC Educational Resources Information Center

Elrod, Terry; Haubl, Gerald; Tipps, Steven W.

2012-01-01

Recent research reflects a growing awareness of the value of using structural equation models to analyze repeated measures data. However, such data, particularly in the presence of covariates, often lead to models that either fit the data poorly, are exceedingly general and hard to interpret, or are specified in a manner that is highly data…

Application of QSAR and shape pharmacophore modeling approaches for targeted chemical library design.

PubMed

Ebalunode, Jerry O; Zheng, Weifan; Tropsha, Alexander

2011-01-01

Optimization of chemical library composition affords more efficient identification of hits from biological screening experiments. The optimization could be achieved through rational selection of reagents used in combinatorial library synthesis. However, with a rapid advent of parallel synthesis methods and availability of millions of compounds synthesized by many vendors, it may be more efficient to design targeted libraries by means of virtual screening of commercial compound collections. This chapter reviews the application of advanced cheminformatics approaches such as quantitative structure-activity relationships (QSAR) and pharmacophore modeling (both ligand and structure based) for virtual screening. Both approaches rely on empirical SAR data to build models; thus, the emphasis is placed on achieving models of the highest rigor and external predictive power. We present several examples of successful applications of both approaches for virtual screening to illustrate their utility. We suggest that the expert use of both QSAR and pharmacophore models, either independently or in combination, enables users to achieve targeted libraries enriched with experimentally confirmed hit compounds.

Hidden multidimensional social structure modeling applied to biased social perception

NASA Astrophysics Data System (ADS)

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.

Nonlinear Thermoelastic Model for SMAs and SMA Hybrid Composites

NASA Technical Reports Server (NTRS)

Turner, Travis L.

2004-01-01

A constitutive mathematical model has been developed that predicts the nonlinear thermomechanical behaviors of shape-memory-alloys (SMAs) and of shape-memory-alloy hybrid composite (SMAHC) structures, which are composite-material structures that contain embedded SMA actuators. SMAHC structures have been investigated for their potential utility in a variety of applications in which there are requirements for static or dynamic control of the shapes of structures, control of the thermoelastic responses of structures, or control of noise and vibrations. The present model overcomes deficiencies of prior, overly simplistic or qualitative models that have proven ineffective or intractable for engineering of SMAHC structures. The model is sophisticated enough to capture the essential features of the mechanics of SMAHC structures yet simple enough to accommodate input from fundamental engineering measurements and is in a form that is amenable to implementation in general-purpose structural analysis environments.

Evaluation of Structural Robustness against Column Loss: Methodology and Application to RC Frame Buildings.

PubMed

Bao, Yihai; Main, Joseph A; Noh, Sam-Young

2017-08-01

A computational methodology is presented for evaluating structural robustness against column loss. The methodology is illustrated through application to reinforced concrete (RC) frame buildings, using a reduced-order modeling approach for three-dimensional RC framing systems that includes the floor slabs. Comparisons with high-fidelity finite-element model results are presented to verify the approach. Pushdown analyses of prototype buildings under column loss scenarios are performed using the reduced-order modeling approach, and an energy-based procedure is employed to account for the dynamic effects associated with sudden column loss. Results obtained using the energy-based approach are found to be in good agreement with results from direct dynamic analysis of sudden column loss. A metric for structural robustness is proposed, calculated by normalizing the ultimate capacities of the structural system under sudden column loss by the applicable service-level gravity loading and by evaluating the minimum value of this normalized ultimate capacity over all column removal scenarios. The procedure is applied to two prototype 10-story RC buildings, one employing intermediate moment frames (IMFs) and the other employing special moment frames (SMFs). The SMF building, with its more stringent seismic design and detailing, is found to have greater robustness.

Experimental Study of a Hot Structure for a Reentry Vehicle

NASA Technical Reports Server (NTRS)

Pride, Richard A.; Royster, Dick M.; Helms, Bobbie F.

1960-01-01

A large structural model of a reentry vehicle has been built incorporating design concepts applicable to a radiation-cooled vehicle. Thermal-stress alleviating features of the model are discussed. Environmental tests on the model include approximately 100 cycles of loading at room temperature and 33 cycles of combined loading and-heating up to temperatures of 1,6000 F. Measured temperatures are shown for typical parts of the model. Comparisons are made between experimental and calculated deflections and strains. The structure successfully survived the heating and loading environments.

Recent advances in reduction methods for nonlinear problems. [in structural mechanics

NASA Technical Reports Server (NTRS)

Noor, A. K.

1981-01-01

Status and some recent developments in the application of reduction methods to nonlinear structural mechanics problems are summarized. The aspects of reduction methods discussed herein include: (1) selection of basis vectors in nonlinear static and dynamic problems, (2) application of reduction methods in nonlinear static analysis of structures subjected to prescribed edge displacements, and (3) use of reduction methods in conjunction with mixed finite element models. Numerical examples are presented to demonstrate the effectiveness of reduction methods in nonlinear problems. Also, a number of research areas which have high potential for application of reduction methods are identified.

Validated linear dynamic model of electrically-shunted magnetostrictive transducers with application to structural vibration control

NASA Astrophysics Data System (ADS)

Scheidler, Justin J.; Asnani, Vivake M.

2017-03-01

This paper presents a linear model of the fully-coupled electromechanical behavior of a generally-shunted magnetostrictive transducer. The impedance and admittance representations of the model are reported. The model is used to derive the effect of the shunt’s electrical impedance on the storage modulus and loss factor of the transducer without neglecting the inherent resistance of the transducer’s coil. The expressions are normalized and then shown to also represent generally-shunted piezoelectric materials that have a finite leakage resistance. The generalized expressions are simplified for three shunts: resistive, series resistive-capacitive, and inductive, which are considered for shunt damping, resonant shunt damping, and stiffness tuning, respectively. For each shunt, the storage modulus and loss factor are plotted for a wide range of the normalized parameters. Then, important trends and their impact on different applications are discussed. An experimental validation of the transducer model is presented for the case of resistive and resonant shunts. The model closely predicts the measured response for a variety of operating conditions. This paper also introduces a model for the dynamic compliance of a vibrating structure that is coupled to a magnetostrictive transducer for shunt damping and resonant shunt damping applications. This compliance is normalized and then shown to be analogous to that of a structure that is coupled to a piezoelectric material. The derived analogies allow for the observations and equations in the existing literature on structural vibration control using shunted piezoelectric materials to be directly applied to the case of shunted magnetostrictive transducers.

An Open Source Simulation Model for Soil and Sediment Bioturbation

PubMed Central

Schiffers, Katja; Teal, Lorna Rachel; Travis, Justin Mark John; Solan, Martin

2011-01-01

Bioturbation is one of the most widespread forms of ecological engineering and has significant implications for the structure and functioning of ecosystems, yet our understanding of the processes involved in biotic mixing remains incomplete. One reason is that, despite their value and utility, most mathematical models currently applied to bioturbation data tend to neglect aspects of the natural complexity of bioturbation in favour of mathematical simplicity. At the same time, the abstract nature of these approaches limits the application of such models to a limited range of users. Here, we contend that a movement towards process-based modelling can improve both the representation of the mechanistic basis of bioturbation and the intuitiveness of modelling approaches. In support of this initiative, we present an open source modelling framework that explicitly simulates particle displacement and a worked example to facilitate application and further development. The framework combines the advantages of rule-based lattice models with the application of parameterisable probability density functions to generate mixing on the lattice. Model parameters can be fitted by experimental data and describe particle displacement at the spatial and temporal scales at which bioturbation data is routinely collected. By using the same model structure across species, but generating species-specific parameters, a generic understanding of species-specific bioturbation behaviour can be achieved. An application to a case study and comparison with a commonly used model attest the predictive power of the approach. PMID:22162997

An open source simulation model for soil and sediment bioturbation.

PubMed

Schiffers, Katja; Teal, Lorna Rachel; Travis, Justin Mark John; Solan, Martin

2011-01-01

Bioturbation is one of the most widespread forms of ecological engineering and has significant implications for the structure and functioning of ecosystems, yet our understanding of the processes involved in biotic mixing remains incomplete. One reason is that, despite their value and utility, most mathematical models currently applied to bioturbation data tend to neglect aspects of the natural complexity of bioturbation in favour of mathematical simplicity. At the same time, the abstract nature of these approaches limits the application of such models to a limited range of users. Here, we contend that a movement towards process-based modelling can improve both the representation of the mechanistic basis of bioturbation and the intuitiveness of modelling approaches. In support of this initiative, we present an open source modelling framework that explicitly simulates particle displacement and a worked example to facilitate application and further development. The framework combines the advantages of rule-based lattice models with the application of parameterisable probability density functions to generate mixing on the lattice. Model parameters can be fitted by experimental data and describe particle displacement at the spatial and temporal scales at which bioturbation data is routinely collected. By using the same model structure across species, but generating species-specific parameters, a generic understanding of species-specific bioturbation behaviour can be achieved. An application to a case study and comparison with a commonly used model attest the predictive power of the approach.

Continuous and Discrete Structured Population Models with Applications to Epidemiology and Marine Mammals

NASA Astrophysics Data System (ADS)

Tang, Tingting

In this dissertation, we develop structured population models to examine how changes in the environmental affect population processes. In Chapter 2, we develop a general continuous time size structured model describing a susceptible-infected (SI) population coupled with the environment. This model applies to problems arising in ecology, epidemiology, and cell biology. The model consists of a system of quasilinear hyperbolic partial differential equations coupled with a system of nonlinear ordinary differential equations that represent the environment. We develop a second-order high resolution finite difference scheme to numerically solve the model. Convergence of this scheme to a weak solution with bounded total variation is proved. We numerically compare the second order high resolution scheme with a first order finite difference scheme. Higher order of convergence and high resolution property are observed in the second order finite difference scheme. In addition, we apply our model to a multi-host wildlife disease problem, questions regarding the impact of the initial population structure and transition rate within each host are numerically explored. In Chapter 3, we use a stage structured matrix model for wildlife population to study the recovery process of the population given an environmental disturbance. We focus on the time it takes for the population to recover to its pre-event level and develop general formulas to calculate the sensitivity or elasticity of the recovery time to changes in the initial population distribution, vital rates and event severity. Our results suggest that the recovery time is independent of the initial population size, but is sensitive to the initial population structure. Moreover, it is more sensitive to the reduction proportion to the vital rates of the population caused by the catastrophe event relative to the duration of impact of the event. We present the potential application of our model to the amphibian population dynamic and the recovery of a certain plant population. In addition, we explore, in details, the application of the model to the sperm whale population in Gulf of Mexico after the Deepwater Horizon oil spill. In Chapter 4, we summarize the results from Chapter 2 and Chapter 3 and explore some further avenues of our research.

Hybrid experimental/analytical models of structural dynamics - Creation and use for predictions

NASA Technical Reports Server (NTRS)

Balmes, Etienne

1993-01-01

An original complete methodology for the construction of predictive models of damped structural vibrations is introduced. A consistent definition of normal and complex modes is given which leads to an original method to accurately identify non-proportionally damped normal mode models. A new method to create predictive hybrid experimental/analytical models of damped structures is introduced, and the ability of hybrid models to predict the response to system configuration changes is discussed. Finally a critical review of the overall methodology is made by application to the case of the MIT/SERC interferometer testbed.

Application of the PM6 method to modeling the solid state

PubMed Central

2008-01-01

The applicability of the recently developed PM6 method for modeling various properties of a wide range of organic and inorganic crystalline solids has been investigated. Although the geometries of most systems examined were reproduced with good accuracy, severe errors were found in the predicted structures of a small number of solids. The origin of these errors was investigated, and a strategy for improving the method proposed. Figure Detail of Structure of Dihydrogen Phosphate in KH2PO4 (upper pair) and in (CH3)4NH2PO4. (Footnote): X-ray structures on left, PM6 structure on right. Electronic supplementary material The online version of this article (doi:10.1007/s00894-008-0299-7) contains supplementary material, which is available to authorized users. PMID:18449579

Precision pointing and control of flexible spacecraft

NASA Technical Reports Server (NTRS)

Bantell, M. H., Jr.

1987-01-01

The problem and long term objectives for the precision pointing and control of flexible spacecraft are given. The four basic objectives are stated in terms of two principle tasks. Under Task 1, robust low order controllers, improved structural modeling methods for control applications and identification methods for structural dynamics are being developed. Under Task 2, a lab test experiment for verification of control laws and system identification algorithms is being developed. For Task 1, work has focused on robust low order controller design and some initial considerations for structural modeling in control applications. For Task 2, work has focused on experiment design and fabrication, along with sensor selection and initial digital controller implementation. Conclusions are given.

The Evolving Contribution of Mass Spectrometry to Integrative Structural Biology

NASA Astrophysics Data System (ADS)

Faini, Marco; Stengel, Florian; Aebersold, Ruedi

2016-06-01

Protein complexes are key catalysts and regulators for the majority of cellular processes. Unveiling their assembly and structure is essential to understanding their function and mechanism of action. Although conventional structural techniques such as X-ray crystallography and NMR have solved the structure of important protein complexes, they cannot consistently deal with dynamic and heterogeneous assemblies, limiting their applications to small scale experiments. A novel methodological paradigm, integrative structural biology, aims at overcoming such limitations by combining complementary data sources into a comprehensive structural model. Recent applications have shown that a range of mass spectrometry (MS) techniques are able to generate interaction and spatial restraints (cross-linking MS) information on native complexes or to study the stoichiometry and connectivity of entire assemblies (native MS) rapidly, reliably, and from small amounts of substrate. Although these techniques by themselves do not solve structures, they do provide invaluable structural information and are thus ideally suited to contribute to integrative modeling efforts. The group of Brian Chait has made seminal contributions in the use of mass spectrometric techniques to study protein complexes. In this perspective, we honor the contributions of the Chait group and discuss concepts and milestones of integrative structural biology. We also review recent examples of integration of structural MS techniques with an emphasis on cross-linking MS. We then speculate on future MS applications that would unravel the dynamic nature of protein complexes upon diverse cellular states.

Terrestrial laser scanning to quantify above-ground biomass of structurally complex coastal wetland vegetation

NASA Astrophysics Data System (ADS)

Owers, Christopher J.; Rogers, Kerrylee; Woodroffe, Colin D.

2018-05-01

Above-ground biomass represents a small yet significant contributor to carbon storage in coastal wetlands. Despite this, above-ground biomass is often poorly quantified, particularly in areas where vegetation structure is complex. Traditional methods for providing accurate estimates involve harvesting vegetation to develop mangrove allometric equations and quantify saltmarsh biomass in quadrats. However broad scale application of these methods may not capture structural variability in vegetation resulting in a loss of detail and estimates with considerable uncertainty. Terrestrial laser scanning (TLS) collects high resolution three-dimensional point clouds capable of providing detailed structural morphology of vegetation. This study demonstrates that TLS is a suitable non-destructive method for estimating biomass of structurally complex coastal wetland vegetation. We compare volumetric models, 3-D surface reconstruction and rasterised volume, and point cloud elevation histogram modelling techniques to estimate biomass. Our results show that current volumetric modelling approaches for estimating TLS-derived biomass are comparable to traditional mangrove allometrics and saltmarsh harvesting. However, volumetric modelling approaches oversimplify vegetation structure by under-utilising the large amount of structural information provided by the point cloud. The point cloud elevation histogram model presented in this study, as an alternative to volumetric modelling, utilises all of the information within the point cloud, as opposed to sub-sampling based on specific criteria. This method is simple but highly effective for both mangrove (r2 = 0.95) and saltmarsh (r2 > 0.92) vegetation. Our results provide evidence that application of TLS in coastal wetlands is an effective non-destructive method to accurately quantify biomass for structurally complex vegetation.

Centrifuge Rotor Models: A Comparison of the Euler-Lagrange and the Bond Graph Modeling Approach

NASA Technical Reports Server (NTRS)

Granda, Jose J.; Ramakrishnan, Jayant; Nguyen, Louis H.

2006-01-01

A viewgraph presentation on centrifuge rotor models with a comparison using Euler-Lagrange and bond graph methods is shown. The topics include: 1) Objectives; 2) MOdeling Approach Comparisons; 3) Model Structures; and 4) Application.

Structural analysis of light aircraft using NASTRAN

NASA Technical Reports Server (NTRS)

Wilkinson, M. T.; Bruce, A. C.

1973-01-01

An application of NASTRAN to the structural analysis of light aircraft was conducted to determine the cost effectiveness. A model of the Baby Ace D model homebuilt aircraft was used. The NASTRAN model of the aircraft consists of 193 grid points connected by 352 structural members. All members are either rod or beam elements, including bending of unsymmetrical cross sections and torsion of noncircular cross sections. The aerodynamic loads applied to the aircraft were in accordance with FAA regulations governing the utility category aircraft.

Integration of Optimal Scheduling with Case-Based Planning.

DTIC Science & Technology

1995-08-01

integrates Case-Based Reasoning (CBR) and Rule-Based Reasoning (RBR) systems. ’ Tachyon : A Constraint-Based Temporal Reasoning Model and Its...Implementation’ provides an overview of the Tachyon temporal’s reasoning system and discusses its possible applications. ’Dual-Use Applications of Tachyon : From...Force Structure Modeling to Manufacturing Scheduling’ discusses the application of Tachyon to real world problems, specifically military force deployment and manufacturing scheduling.

TLS from fundamentals to practice

PubMed Central

Urzhumtsev, Alexandre; Afonine, Pavel V.; Adams, Paul D.

2014-01-01

The Translation-Libration-Screw-rotation (TLS) model of rigid-body harmonic displacements introduced in crystallography by Schomaker & Trueblood (1968) is now a routine tool in macromolecular studies and is a feature of most modern crystallographic structure refinement packages. In this review we consider a number of simple examples that illustrate important features of the TLS model. Based on these examples simplified formulae are given for several special cases that may occur in structure modeling and refinement. The derivation of general TLS formulae from basic principles is also provided. This manuscript describes the principles of TLS modeling, as well as some select algorithmic details for practical application. An extensive list of applications references as examples of TLS in macromolecular crystallography refinement is provided. PMID:25249713

Nonlinear Constitutive Relations for High Temperature Application, 1984

NASA Technical Reports Server (NTRS)

1985-01-01

Nonlinear constitutive relations for high temperature applications were discussed. The state of the art in nonlinear constitutive modeling of high temperature materials was reviewed and the need for future research and development efforts in this area was identified. Considerable research efforts are urgently needed in the development of nonlinear constitutive relations for high temperature applications prompted by recent advances in high temperature materials technology and new demands on material and component performance. Topics discussed include: constitutive modeling, numerical methods, material testing, and structural applications.

Lewis Structures Technology, 1988. Volume 3: Structural Integrity Fatigue and Fracture Wind Turbines HOST

NASA Technical Reports Server (NTRS)

1988-01-01

The charter of the Structures Division is to perform and disseminate results of research conducted in support of aerospace engine structures. These results have a wide range of applicability to practioners of structural engineering mechanics beyond the aerospace arena. The specific purpose of the symposium was to familiarize the engineering structures community with the depth and range of research performed by the division and its academic and industrial partners. Sessions covered vibration control, fracture mechanics, ceramic component reliability, parallel computing, nondestructive evaluation, constitutive models and experimental capabilities, dynamic systems, fatigue and damage, wind turbines, hot section technology (HOST), aeroelasticity, structural mechanics codes, computational methods for dynamics, structural optimization, and applications of structural dynamics, and structural mechanics computer codes.

Visualization and dissemination of global crustal models on virtual globes

NASA Astrophysics Data System (ADS)

Zhu, Liang-feng; Pan, Xin; Sun, Jian-zhong

2016-05-01

Global crustal models, such as CRUST 5.1 and its descendants, are very useful in a broad range of geoscience applications. The current method for representing the existing global crustal models relies heavily on dedicated computer programs to read and work with those models. Therefore, it is not suited to visualize and disseminate global crustal information to non-geological users. This shortcoming is becoming obvious as more and more people from both academic and non-academic institutions are interested in understanding the structure and composition of the crust. There is a pressing need to provide a modern, universal and user-friendly method to represent and visualize the existing global crustal models. In this paper, we present a systematic framework to easily visualize and disseminate the global crustal structure on virtual globes. Based on crustal information exported from the existing global crustal models, we first create a variety of KML-formatted crustal models with different levels of detail (LODs). And then the KML-formatted models can be loaded into a virtual globe for 3D visualization and model dissemination. A Keyhole Markup Language (KML) generator (Crust2KML) is developed to automatically convert crustal information obtained from the CRUST 1.0 model into KML-formatted global crustal models, and a web application (VisualCrust) is designed to disseminate and visualize those models over the Internet. The presented framework and associated implementations can be conveniently exported to other applications to support visualizing and analyzing the Earth's internal structure on both regional and global scales in a 3D virtual-globe environment.

Iterative model building, structure refinement and density modification with the PHENIX AutoBuild wizard.

PubMed

Terwilliger, Thomas C; Grosse-Kunstleve, Ralf W; Afonine, Pavel V; Moriarty, Nigel W; Zwart, Peter H; Hung, Li Wei; Read, Randy J; Adams, Paul D

2008-01-01

The PHENIX AutoBuild wizard is a highly automated tool for iterative model building, structure refinement and density modification using RESOLVE model building, RESOLVE statistical density modification and phenix.refine structure refinement. Recent advances in the AutoBuild wizard and phenix.refine include automated detection and application of NCS from models as they are built, extensive model-completion algorithms and automated solvent-molecule picking. Model-completion algorithms in the AutoBuild wizard include loop building, crossovers between chains in different models of a structure and side-chain optimization. The AutoBuild wizard has been applied to a set of 48 structures at resolutions ranging from 1.1 to 3.2 A, resulting in a mean R factor of 0.24 and a mean free R factor of 0.29. The R factor of the final model is dependent on the quality of the starting electron density and is relatively independent of resolution.

Leveraging Hierarchical Population Structure in Discrete Association Studies

PubMed Central

Carlson, Jonathan; Kadie, Carl; Mallal, Simon; Heckerman, David

2007-01-01

Population structure can confound the identification of correlations in biological data. Such confounding has been recognized in multiple biological disciplines, resulting in a disparate collection of proposed solutions. We examine several methods that correct for confounding on discrete data with hierarchical population structure and identify two distinct confounding processes, which we call coevolution and conditional influence. We describe these processes in terms of generative models and show that these generative models can be used to correct for the confounding effects. Finally, we apply the models to three applications: identification of escape mutations in HIV-1 in response to specific HLA-mediated immune pressure, prediction of coevolving residues in an HIV-1 peptide, and a search for genotypes that are associated with bacterial resistance traits in Arabidopsis thaliana. We show that coevolution is a better description of confounding in some applications and conditional influence is better in others. That is, we show that no single method is best for addressing all forms of confounding. Analysis tools based on these models are available on the internet as both web based applications and downloadable source code at http://atom.research.microsoft.com/bio/phylod.aspx. PMID:17611623

Dynamic Characterization of an Inflatable Concentrator for Solar Thermal Propulsion

NASA Technical Reports Server (NTRS)

Leigh, Larry; Hamidzadeh, Hamid; Tinker, Michael L.; Rodriguez, Pedro I. (Technical Monitor)

2001-01-01

An inflatable structural system that is a technology demonstrator for solar thermal propulsion and other applications is characterized for structural dynamic behavior both experimentally and computationally. The inflatable structure is a pressurized assembly developed for use in orbit to support a Fresnel lens or inflatable lenticular element for focusing sunlight into a solar thermal rocket engine. When the engine temperature reaches a pre-set level, the propellant is injected into the engine, absorbs heat from an exchanger, and is expanded through the nozzle to produce thrust. The inflatable structure is a passively adaptive system in that a regulator and relief valve are utilized to maintain pressure within design limits during the full range of orbital conditions. Modeling and test activities are complicated by the fact that the polyimide film material used for construction of the inflatable is nonlinear, with modulus varying as a function of frequency, temperature, and level of excitation. Modal vibration testing and finite element modeling are described in detail in this paper. The test database is used for validation and modification of the model. This work is highly significant because of the current interest in inflatable structures for space application, and because of the difficulty in accurately modeling such systems.

Spatial Data Structures for Robotic Vehicle Route Planning

DTIC Science & Technology

1988-12-01

goal will be realized in an intelligent Spatial Data Structure Development System (SDSDS) intended for use by Terrain Analysis applications...from the user the details of representation and to permit the infrastructure itself to decide which representations will be most efficient or effective ...to intelligently predict performance of algorithmic sequences and thereby optimize the application (within the accuracy of the prediction models). The

Application of a hierarchical structure stochastic learning automation

NASA Technical Reports Server (NTRS)

Neville, R. G.; Chrystall, M. S.; Mars, P.

1979-01-01

A hierarchical structure automaton was developed using a two state stochastic learning automato (SLA) in a time shared model. Application of the hierarchical SLA to systems with multidimensional, multimodal performance criteria is described. Results of experiments performed with the hierarchical SLA using a performance index with a superimposed noise component of ? or - delta distributed uniformly over the surface are discussed.

GeneratorSE: A Sizing Tool for Variable-Speed Wind Turbine Generators

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sethuraman, Latha; Dykes, Katherine L

This report documents a set of analytical models employed by the optimization algorithms within the GeneratorSE framework. The initial values and boundary conditions employed for the generation of the various designs and initial estimates for basic design dimensions, masses, and efficiency for the four different models of generators are presented and compared with empirical data collected from previous studies and some existing commercial turbines. These models include designs applicable for variable-speed, high-torque application featuring direct-drive synchronous generators and low-torque application featuring induction generators. In all of the four models presented, the main focus of optimization is electromagnetic design with themore » exception of permanent-magnet and wire-wound synchronous generators, wherein the structural design is also optimized. Thermal design is accommodated in GeneratorSE as a secondary attribute by limiting the winding current densities to acceptable limits. A preliminary validation of electromagnetic design was carried out by comparing the optimized magnetic loading against those predicted by numerical simulation in FEMM4.2, a finite-element software for analyzing electromagnetic and thermal physics problems for electrical machines. For direct-drive synchronous generators, the analytical models for the structural design are validated by static structural analysis in ANSYS.« less

QSAR modeling of GPCR ligands: methodologies and examples of applications.

PubMed

Tropsha, A; Wang, S X

2006-01-01

GPCR ligands represent not only one of the major classes of current drugs but the major continuing source of novel potent pharmaceutical agents. Because 3D structures of GPCRs as determined by experimental techniques are still unavailable, ligand-based drug discovery methods remain the major computational molecular modeling approaches to the analysis of growing data sets of tested GPCR ligands. This paper presents an overview of modern Quantitative Structure Activity Relationship (QSAR) modeling. We discuss the critical issue of model validation and the strategy for applying the successfully validated QSAR models to virtual screening of available chemical databases. We present several examples of applications of validated QSAR modeling approaches to GPCR ligands. We conclude with the comments on exciting developments in the QSAR modeling of GPCR ligands that focus on the study of emerging data sets of compounds with dual or even multiple activities against two or more of GPCRs.

Design for inadvertent damage in composite laminates

NASA Technical Reports Server (NTRS)

Singhal, Surendra N.; Chamis, Christos C.

1992-01-01

Simplified predictive methods and models to computationally simulate durability and damage in polymer matrix composite materials/structures are described. The models include (1) progressive fracture, (2) progressively damaged structural behavior, (3) progressive fracture in aggressive environments, (4) stress concentrations, and (5) impact resistance. Several examples are included to illustrate applications of the models and to identify significant parameters and sensitivities. Comparisons with limited experimental data are made.

An Application of Structural Equation Modeling for Developing Good Teaching Characteristics Ontology

ERIC Educational Resources Information Center

Phiakoksong, Somjin; Niwattanakul, Suphakit; Angskun, Thara

2013-01-01

Ontology is a knowledge representation technique which aims to make knowledge explicit by defining the core concepts and their relationships. The Structural Equation Modeling (SEM) is a statistical technique which aims to explore the core factors from empirical data and estimates the relationship between these factors. This article presents an…

A Bayesian Approach for Nonlinear Structural Equation Models with Dichotomous Variables Using Logit and Probit Links

ERIC Educational Resources Information Center

Lee, Sik-Yum; Song, Xin-Yuan; Cai, Jing-Heng

2010-01-01

Analysis of ordered binary and unordered binary data has received considerable attention in social and psychological research. This article introduces a Bayesian approach, which has several nice features in practical applications, for analyzing nonlinear structural equation models with dichotomous data. We demonstrate how to use the software…

A Review of Structural Equation Modeling Applications in Turkish Educational Science Literature, 2010-2015

ERIC Educational Resources Information Center

Karakaya-Ozyer, Kubra; Aksu-Dunya, Beyza

2018-01-01

Structural equation modeling (SEM) is one of the most popular multivariate statistical techniques in Turkish educational research. This study elaborates the SEM procedures employed by 75 educational research articles which were published from 2010 to 2015 in Turkey. After documenting and coding 75 academic papers, categorical frequencies and…

Students' Development of Structure Sense for the Distributive Law

ERIC Educational Resources Information Center

Schüler-Meyer, Alexander

2017-01-01

After being introduced to the distributive law in meaningful contexts, students need to extend its scope of application to unfamiliar expressions. In this article, a process model for the development of structure sense is developed. Building on this model, this article reports on a design research project in which exercise tasks support students…

A general structure-property relationship to predict the enthalpy of vaporisation at ambient temperatures.

PubMed

Oberg, T

2007-01-01

The vapour pressure is the most important property of an anthropogenic organic compound in determining its partitioning between the atmosphere and the other environmental media. The enthalpy of vaporisation quantifies the temperature dependence of the vapour pressure and its value around 298 K is needed for environmental modelling. The enthalpy of vaporisation can be determined by different experimental methods, but estimation methods are needed to extend the current database and several approaches are available from the literature. However, these methods have limitations, such as a need for other experimental results as input data, a limited applicability domain, a lack of domain definition, and a lack of predictive validation. Here we have attempted to develop a quantitative structure-property relationship (QSPR) that has general applicability and is thoroughly validated. Enthalpies of vaporisation at 298 K were collected from the literature for 1835 pure compounds. The three-dimensional (3D) structures were optimised and each compound was described by a set of computationally derived descriptors. The compounds were randomly assigned into a calibration set and a prediction set. Partial least squares regression (PLSR) was used to estimate a low-dimensional QSPR model with 12 latent variables. The predictive performance of this model, within the domain of application, was estimated at n=560, q2Ext=0.968 and s=0.028 (log transformed values). The QSPR model was subsequently applied to a database of 100,000+ structures, after a similar 3D optimisation and descriptor generation. Reliable predictions can be reported for compounds within the previously defined applicability domain.

Near field effect on elasticity measurement for cartilage-bone structure using Lamb wave method.

PubMed

Xu, Hao; Chen, Shigao; An, Kai-Nan; Luo, Zong-Ping

2017-10-30

Cartilage elasticity changes with cartilage degeneration. Hence, cartilage elasticity detection might be an alternative to traditional imaging methods for the early diagnosis of osteoarthritis. Based on the wave propagation measurement, Shear wave elastography (SWE) become an emerging non-invasive elasticity detection method. The wave propagation model, which is affected by tissue shapes, is crucial for elasticity estimating in SWE. However, wave propagation model for cartilage was unclear. This study aimed to establish a wave propagation model for the cartilage-bone structure. We fabricated a cartilage-bone structure, and studied the elasticity measurement and wave propagation by experimental and numerical Lamb wave method (LWM). Results indicated the wave propagation model satisfied the lamb wave theory for two-layered structure. Moreover, a near field region, which affects wave speed measurements and whose occurrence can be prevented if the wave frequency is larger than one critical frequency, was observed. Our findings would provide a theoretical foundation for further application of LWM in elasticity measurement of cartilage in vivo. It can help the application of LWM to the diagnosis of osteoarthritis.

Pairwise graphical models for structural health monitoring with dense sensor arrays

NASA Astrophysics Data System (ADS)

Mohammadi Ghazi, Reza; Chen, Justin G.; Büyüköztürk, Oral

2017-09-01

Through advances in sensor technology and development of camera-based measurement techniques, it has become affordable to obtain high spatial resolution data from structures. Although measured datasets become more informative by increasing the number of sensors, the spatial dependencies between sensor data are increased at the same time. Therefore, appropriate data analysis techniques are needed to handle the inference problem in presence of these dependencies. In this paper, we propose a novel approach that uses graphical models (GM) for considering the spatial dependencies between sensor measurements in dense sensor networks or arrays to improve damage localization accuracy in structural health monitoring (SHM) application. Because there are always unobserved damaged states in this application, the available information is insufficient for learning the GMs. To overcome this challenge, we propose an approximated model that uses the mutual information between sensor measurements to learn the GMs. The study is backed by experimental validation of the method on two test structures. The first is a three-story two-bay steel model structure that is instrumented by MEMS accelerometers. The second experimental setup consists of a plate structure and a video camera to measure the displacement field of the plate. Our results show that considering the spatial dependencies by the proposed algorithm can significantly improve damage localization accuracy.

Evidence Regarding the Internal Structure: Confirmatory Factor Analysis

ERIC Educational Resources Information Center

Lewis, Todd F.

2017-01-01

American Educational Research Association (AERA) standards stipulate that researchers show evidence of the internal structure of instruments. Confirmatory factor analysis (CFA) is one structural equation modeling procedure designed to assess construct validity of assessments that has broad applicability for counselors interested in instrument…

Geant4-DNA example applications for track structure simulations in liquid water: a report from the Geant4-DNA Project.

PubMed

Incerti, S; Kyriakou, I; Bernal, M A; Bordage, M C; Francis, Z; Guatelli, S; Ivanchenko, V; Karamitros, M; Lampe, N; Lee, S B; Meylan, S; Min, C H; Shin, W G; Nieminen, P; Sakata, D; Tang, N; Villagrasa, C; Tran, H; Brown, J M C

2018-06-14

This Special Report presents a description of Geant4-DNA user applications dedicated to the simulation of track structures (TS) in liquid water and associated physical quantities (e.g. range, stopping power, mean free path…). These example applications are included in the Geant4 Monte Carlo toolkit and are available in open access. Each application is described and comparisons to recent international recommendations are shown (e.g. ICRU, MIRD), when available. The influence of physics models available in Geant4-DNA for the simulation of electron interactions in liquid water is discussed. Thanks to these applications, the authors show that the most recent sets of physics models available in Geant4-DNA (the so-called "option4″ and "option 6″ sets) enable more accurate simulation of stopping powers, dose point kernels and W-values in liquid water, than the default set of models ("option 2″) initially provided in Geant4-DNA. They also serve as reference applications for Geant4-DNA users interested in TS simulations. This article is protected by copyright. All rights reserved. This article is protected by copyright. All rights reserved.

Development of Test-Analysis Models (TAM) for correlation of dynamic test and analysis results

NASA Technical Reports Server (NTRS)

Angelucci, Filippo; Javeed, Mehzad; Mcgowan, Paul

1992-01-01

The primary objective of structural analysis of aerospace applications is to obtain a verified finite element model (FEM). The verified FEM can be used for loads analysis, evaluate structural modifications, or design control systems. Verification of the FEM is generally obtained as the result of correlating test and FEM models. A test analysis model (TAM) is very useful in the correlation process. A TAM is essentially a FEM reduced to the size of the test model, which attempts to preserve the dynamic characteristics of the original FEM in the analysis range of interest. Numerous methods for generating TAMs have been developed in the literature. The major emphasis of this paper is a description of the procedures necessary for creation of the TAM and the correlation of the reduced models with the FEM or the test results. Herein, three methods are discussed, namely Guyan, Improved Reduced System (IRS), and Hybrid. Also included are the procedures for performing these analyses using MSC/NASTRAN. Finally, application of the TAM process is demonstrated with an experimental test configuration of a ten bay cantilevered truss structure.

Applications of the BIOPHYS Algorithm for Physically-Based Retrieval of Biophysical, Structural and Forest Disturbance Information

NASA Technical Reports Server (NTRS)

Peddle, Derek R.; Huemmrich, K. Fred; Hall, Forrest G.; Masek, Jeffrey G.; Soenen, Scott A.; Jackson, Chris D.

2011-01-01

Canopy reflectance model inversion using look-up table approaches provides powerful and flexible options for deriving improved forest biophysical structural information (BSI) compared with traditional statistical empirical methods. The BIOPHYS algorithm is an improved, physically-based inversion approach for deriving BSI for independent use and validation and for monitoring, inventory and quantifying forest disturbance as well as input to ecosystem, climate and carbon models. Based on the multiple-forward mode (MFM) inversion approach, BIOPHYS results were summarized from different studies (Minnesota/NASA COVER; Virginia/LEDAPS; Saskatchewan/BOREAS), sensors (airborne MMR; Landsat; MODIS) and models (GeoSail; GOMS). Applications output included forest density, height, crown dimension, branch and green leaf area, canopy cover, disturbance estimates based on multi-temporal chronosequences, and structural change following recovery from forest fires over the last century. Good correspondences with validation field data were obtained. Integrated analyses of multiple solar and view angle imagery further improved retrievals compared with single pass data. Quantifying ecosystem dynamics such as the area and percent of forest disturbance, early regrowth and succession provide essential inputs to process-driven models of carbon flux. BIOPHYS is well suited for large-area, multi-temporal applications involving multiple image sets and mosaics for assessing vegetation disturbance and quantifying biophysical structural dynamics and change. It is also suitable for integration with forest inventory, monitoring, updating, and other programs.

Theoretical modeling and design of photonic structures in zeolite nanocomposites for gas sensing. Part I: surface relief gratings.

PubMed

Cody, D; Naydenova, I

2017-12-01

The suitability of holographic structures fabricated in zeolite nanoparticle-polymer composite materials for gas sensing applications has been investigated. Theoretical modeling of the sensor response (i.e., change in hologram readout due to a change in refractive index modulation or thickness as a result of gas adsorption) of different sensor designs was carried out using Raman-Nath theory and Kogelnik's coupled wave theory. The influence of a range of parameters on the sensor response of holographically recorded surface and volume photonic grating structures has been studied, namely the phase difference between the diffracted and probe beam introduced by the grating, grating geometry, thickness, spatial frequency, reconstruction wavelength, and zeolite nanoparticle refractive index. From this, the optimum fabrication conditions for both surface and volume holographic gas sensor designs have been identified. Here, in part I, results from theoretical modeling of the influence of design on the sensor response of holographically inscribed surface relief structures for gas sensing applications is reported.

Modeling of dielectric elastomer oscillators for soft biomimetic applications.

PubMed

Henke, E-F M; Wilson, Katherine E; Anderson, I A

2018-06-26

Biomimetic, entirely soft robots with animal-like behavior and integrated artificial nervous systems will open up totally new perspectives and applications. However, until now, most presented studies on soft robots were limited to only partly soft designs, since all solutions at least needed conventional, stiff electronics to sense, process signals and activate actuators. We present a novel approach for a set up and the experimental validation of an artificial pace maker that is able to drive basic robotic structures and act as artificial central pattern generator. The structure is based on multi-functional dielectric elastomers (DEs). DE actuators, DE switches and DE resistors are combined to create complex DE oscillators (DEOs). Supplied with only one external DC voltage, the DEO autonomously generates oscillating signals that can be used to clock a robotic structure, control the cyclic motion of artificial muscles in bionic robots or make a whole robotic structure move. We present the basic functionality, derive a mathematical model for predicting the generated signal waveform and verify the model experimentally.

A repository based on a dynamically extensible data model supporting multidisciplinary research in neuroscience.

PubMed

Corradi, Luca; Porro, Ivan; Schenone, Andrea; Momeni, Parastoo; Ferrari, Raffaele; Nobili, Flavio; Ferrara, Michela; Arnulfo, Gabriele; Fato, Marco M

2012-10-08

Robust, extensible and distributed databases integrating clinical, imaging and molecular data represent a substantial challenge for modern neuroscience. It is even more difficult to provide extensible software environments able to effectively target the rapidly changing data requirements and structures of research experiments. There is an increasing request from the neuroscience community for software tools addressing technical challenges about: (i) supporting researchers in the medical field to carry out data analysis using integrated bioinformatics services and tools; (ii) handling multimodal/multiscale data and metadata, enabling the injection of several different data types according to structured schemas; (iii) providing high extensibility, in order to address different requirements deriving from a large variety of applications simply through a user runtime configuration. A dynamically extensible data structure supporting collaborative multidisciplinary research projects in neuroscience has been defined and implemented. We have considered extensibility issues from two different points of view. First, the improvement of data flexibility has been taken into account. This has been done through the development of a methodology for the dynamic creation and use of data types and related metadata, based on the definition of "meta" data model. This way, users are not constrainted to a set of predefined data and the model can be easily extensible and applicable to different contexts. Second, users have been enabled to easily customize and extend the experimental procedures in order to track each step of acquisition or analysis. This has been achieved through a process-event data structure, a multipurpose taxonomic schema composed by two generic main objects: events and processes. Then, a repository has been built based on such data model and structure, and deployed on distributed resources thanks to a Grid-based approach. Finally, data integration aspects have been addressed by providing the repository application with an efficient dynamic interface designed to enable the user to both easily query the data depending on defined datatypes and view all the data of every patient in an integrated and simple way. The results of our work have been twofold. First, a dynamically extensible data model has been implemented and tested based on a "meta" data-model enabling users to define their own data types independently from the application context. This data model has allowed users to dynamically include additional data types without the need of rebuilding the underlying database. Then a complex process-event data structure has been built, based on this data model, describing patient-centered diagnostic processes and merging information from data and metadata. Second, a repository implementing such a data structure has been deployed on a distributed Data Grid in order to provide scalability both in terms of data input and data storage and to exploit distributed data and computational approaches in order to share resources more efficiently. Moreover, data managing has been made possible through a friendly web interface. The driving principle of not being forced to preconfigured data types has been satisfied. It is up to users to dynamically configure the data model for the given experiment or data acquisition program, thus making it potentially suitable for customized applications. Based on such repository, data managing has been made possible through a friendly web interface. The driving principle of not being forced to preconfigured data types has been satisfied. It is up to users to dynamically configure the data model for the given experiment or data acquisition program, thus making it potentially suitable for customized applications.

A repository based on a dynamically extensible data model supporting multidisciplinary research in neuroscience

PubMed Central

2012-01-01

Background Robust, extensible and distributed databases integrating clinical, imaging and molecular data represent a substantial challenge for modern neuroscience. It is even more difficult to provide extensible software environments able to effectively target the rapidly changing data requirements and structures of research experiments. There is an increasing request from the neuroscience community for software tools addressing technical challenges about: (i) supporting researchers in the medical field to carry out data analysis using integrated bioinformatics services and tools; (ii) handling multimodal/multiscale data and metadata, enabling the injection of several different data types according to structured schemas; (iii) providing high extensibility, in order to address different requirements deriving from a large variety of applications simply through a user runtime configuration. Methods A dynamically extensible data structure supporting collaborative multidisciplinary research projects in neuroscience has been defined and implemented. We have considered extensibility issues from two different points of view. First, the improvement of data flexibility has been taken into account. This has been done through the development of a methodology for the dynamic creation and use of data types and related metadata, based on the definition of “meta” data model. This way, users are not constrainted to a set of predefined data and the model can be easily extensible and applicable to different contexts. Second, users have been enabled to easily customize and extend the experimental procedures in order to track each step of acquisition or analysis. This has been achieved through a process-event data structure, a multipurpose taxonomic schema composed by two generic main objects: events and processes. Then, a repository has been built based on such data model and structure, and deployed on distributed resources thanks to a Grid-based approach. Finally, data integration aspects have been addressed by providing the repository application with an efficient dynamic interface designed to enable the user to both easily query the data depending on defined datatypes and view all the data of every patient in an integrated and simple way. Results The results of our work have been twofold. First, a dynamically extensible data model has been implemented and tested based on a “meta” data-model enabling users to define their own data types independently from the application context. This data model has allowed users to dynamically include additional data types without the need of rebuilding the underlying database. Then a complex process-event data structure has been built, based on this data model, describing patient-centered diagnostic processes and merging information from data and metadata. Second, a repository implementing such a data structure has been deployed on a distributed Data Grid in order to provide scalability both in terms of data input and data storage and to exploit distributed data and computational approaches in order to share resources more efficiently. Moreover, data managing has been made possible through a friendly web interface. The driving principle of not being forced to preconfigured data types has been satisfied. It is up to users to dynamically configure the data model for the given experiment or data acquisition program, thus making it potentially suitable for customized applications. Conclusions Based on such repository, data managing has been made possible through a friendly web interface. The driving principle of not being forced to preconfigured data types has been satisfied. It is up to users to dynamically configure the data model for the given experiment or data acquisition program, thus making it potentially suitable for customized applications. PMID:23043673

Vector Autoregression, Structural Equation Modeling, and Their Synthesis in Neuroimaging Data Analysis

PubMed Central

Chen, Gang; Glen, Daniel R.; Saad, Ziad S.; Hamilton, J. Paul; Thomason, Moriah E.; Gotlib, Ian H.; Cox, Robert W.

2011-01-01

Vector autoregression (VAR) and structural equation modeling (SEM) are two popular brain-network modeling tools. VAR, which is a data-driven approach, assumes that connected regions exert time-lagged influences on one another. In contrast, the hypothesis-driven SEM is used to validate an existing connectivity model where connected regions have contemporaneous interactions among them. We present the two models in detail and discuss their applicability to FMRI data, and interpretational limits. We also propose a unified approach that models both lagged and contemporaneous effects. The unifying model, structural vector autoregression (SVAR), may improve statistical and explanatory power, and avoids some prevalent pitfalls that can occur when VAR and SEM are utilized separately. PMID:21975109

Research and development program for non-linear structural modeling with advanced time-temperature dependent constitutive relationships

NASA Technical Reports Server (NTRS)

Walker, K. P.

1981-01-01

Results of a 20-month research and development program for nonlinear structural modeling with advanced time-temperature constitutive relationships are reported. The program included: (1) the evaluation of a number of viscoplastic constitutive models in the published literature; (2) incorporation of three of the most appropriate constitutive models into the MARC nonlinear finite element program; (3) calibration of the three constitutive models against experimental data using Hastelloy-X material; and (4) application of the most appropriate constitutive model to a three dimensional finite element analysis of a cylindrical combustor liner louver test specimen to establish the capability of the viscoplastic model to predict component structural response.

Multistep modeling (MSM) of biomolecular structure application to the A-G mispair in the B-DNA environment

NASA Technical Reports Server (NTRS)

Srinivasan, S.; Raghunathan, G.; Shibata, M.; Rein, R.

1986-01-01

A multistep modeling procedure has been evolved to study the structural changes introduced by lesions in DNA. We report here the change in the structure of regular B-DNA geometry due to the incorporation of Ganti-Aanti mispair in place of a regular G-C pair, preserving the helix continuity. The energetics of the structure so obtained is compared with the Ganti-Asyn configuration under similar constrained conditions. We present the methodology adopted and discuss the results.

Structured population dynamics: continuous size and discontinuous stage structures.

PubMed

Buffoni, Giuseppe; Pasquali, Sara

2007-04-01

A nonlinear stochastic model for the dynamics of a population with either a continuous size structure or a discontinuous stage structure is formulated in the Eulerian formalism. It takes into account dispersion effects due to stochastic variability of the development process of the individuals. The discrete equations of the numerical approximation are derived, and an analysis of the existence and stability of the equilibrium states is performed. An application to a copepod population is illustrated; numerical results of Eulerian and Lagrangian models are compared.

Jamaican family structure: the paradox of normalcy.

PubMed

Dechesnay, M

1986-06-01

The relationship between basic research, theory, and clinical work with families is conceptualized during a discussion of Jamaican family structure and the application of change theory to a clinical case of depression in a Jamaican woman. It was found that three types of family structure are prevalent in Jamaica. The European ideal of a patriarchal-patrifocal structure creates problems for working-class Jamaicans. General system theory provides support for a different model. Change theory is applied to resolve the paradox created by the European model.

Intelligent-based Structural Damage Detection Model

NASA Astrophysics Data System (ADS)

Lee, Eric Wai Ming; Yu, Kin Fung

2010-05-01

This paper presents the application of a novel Artificial Neural Network (ANN) model for the diagnosis of structural damage. The ANN model, denoted as the GRNNFA, is a hybrid model combining the General Regression Neural Network Model (GRNN) and the Fuzzy ART (FA) model. It not only retains the important features of the GRNN and FA models (i.e. fast and stable network training and incremental growth of network structure) but also facilitates the removal of the noise embedded in the training samples. Structural damage alters the stiffness distribution of the structure and so as to change the natural frequencies and mode shapes of the system. The measured modal parameter changes due to a particular damage are treated as patterns for that damage. The proposed GRNNFA model was trained to learn those patterns in order to detect the possible damage location of the structure. Simulated data is employed to verify and illustrate the procedures of the proposed ANN-based damage diagnosis methodology. The results of this study have demonstrated the feasibility of applying the GRNNFA model to structural damage diagnosis even when the training samples were noise contaminated.

Developing Articulated Human Models from Laser Scan Data for Use as Avatars in Real-Time Networked Virtual Environments

DTIC Science & Technology

2001-09-01

structure model, motion model, physical model, and possibly many other characteristics depending on the application [Ref. 4]. While the film industry has...applications. The film industry relies on this technology almost exclusively, as it is highly reliable under controlled conditions. Since optical tracking...Wavefront. Maya has been used extensively in the film industry to provide lifelike animation, and is adept at handling 3D objects [Ref. 27]. Maya can

Structural Damage Detection Using Changes in Natural Frequencies: Theory and Applications

NASA Astrophysics Data System (ADS)

He, K.; Zhu, W. D.

2011-07-01

A vibration-based method that uses changes in natural frequencies of a structure to detect damage has advantages over conventional nondestructive tests in detecting various types of damage, including loosening of bolted joints, using minimum measurement data. Two major challenges associated with applications of the vibration-based damage detection method to engineering structures are addressed: accurate modeling of structures and the development of a robust inverse algorithm to detect damage, which are defined as the forward and inverse problems, respectively. To resolve the forward problem, new physics-based finite element modeling techniques are developed for fillets in thin-walled beams and for bolted joints, so that complex structures can be accurately modeled with a reasonable model size. To resolve the inverse problem, a logistical function transformation is introduced to convert the constrained optimization problem to an unconstrained one, and a robust iterative algorithm using a trust-region method, called the Levenberg-Marquardt method, is developed to accurately detect the locations and extent of damage. The new methodology can ensure global convergence of the iterative algorithm in solving under-determined system equations and deal with damage detection problems with relatively large modeling error and measurement noise. The vibration-based damage detection method is applied to various structures including lightning masts, a space frame structure and one of its components, and a pipeline. The exact locations and extent of damage can be detected in the numerical simulation where there is no modeling error and measurement noise. The locations and extent of damage can be successfully detected in experimental damage detection.

A model of cloud application assignments in software-defined storages

NASA Astrophysics Data System (ADS)

Bolodurina, Irina P.; Parfenov, Denis I.; Polezhaev, Petr N.; E Shukhman, Alexander

2017-01-01

The aim of this study is to analyze the structure and mechanisms of interaction of typical cloud applications and to suggest the approaches to optimize their placement in storage systems. In this paper, we describe a generalized model of cloud applications including the three basic layers: a model of application, a model of service, and a model of resource. The distinctive feature of the model suggested implies analyzing cloud resources from the user point of view and from the point of view of a software-defined infrastructure of the virtual data center (DC). The innovation character of this model is in describing at the same time the application data placements, as well as the state of the virtual environment, taking into account the network topology. The model of software-defined storage has been developed as a submodel within the resource model. This model allows implementing the algorithm for control of cloud application assignments in software-defined storages. Experimental researches returned this algorithm decreases in cloud application response time and performance growth in user request processes. The use of software-defined data storages allows the decrease in the number of physical store devices, which demonstrates the efficiency of our algorithm.

Structured statistical models of inductive reasoning.

PubMed

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.

Designing synthetic RNA for delivery by nanoparticles

NASA Astrophysics Data System (ADS)

Jedrzejczyk, Dominika; Gendaszewska-Darmach, Edyta; Pawlowska, Roza; Chworos, Arkadiusz

2017-03-01

The rapid development of synthetic biology and nanobiotechnology has led to the construction of various synthetic RNA nanoparticles of different functionalities and potential applications. As they occur naturally, nucleic acids are an attractive construction material for biocompatible nanoscaffold and nanomachine design. In this review, we provide an overview of the types of RNA and nucleic acid’s nanoparticle design, with the focus on relevant nanostructures utilized for gene-expression regulation in cellular models. Structural analysis and modeling is addressed along with the tools available for RNA structural prediction. The functionalization of RNA-based nanoparticles leading to prospective applications of such constructs in potential therapies is shown. The route from the nanoparticle design and modeling through synthesis and functionalization to cellular application is also described. For a better understanding of the fate of targeted RNA after delivery, an overview of RNA processing inside the cell is also provided.

Structural Equation Model Trees

PubMed Central

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

2015-01-01

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 structures that separate a data set recursively into subsets with significantly different parameter estimates in a SEM. SEM Trees provide means for finding covariates and covariate interactions that predict differences in structural parameters in observed as well as in latent space and facilitate theory-guided exploration of empirical data. We describe the methodology, discuss theoretical and practical implications, and demonstrate applications to a factor model and a linear growth curve model. PMID:22984789

14 CFR 415.25 - Application requirements for policy review.

Code of Federal Regulations, 2010 CFR

2010-01-01

...) Identify the model and configuration of any launch vehicle proposed for launch by the applicant. (b) Identify structural, pneumatic, propellant, propulsion, electrical and avionics systems used in the launch vehicle and all propellants. (c) Identify foreign ownership of the applicant as follows: (1) For a sole...

Evaluating Measurement of Dynamic Constructs: Defining a Measurement Model of Derivatives

PubMed Central

Estabrook, Ryne

2015-01-01

While measurement evaluation has been embraced as an important step in psychological research, evaluating measurement structures with longitudinal data is fraught with limitations. This paper defines and tests a measurement model of derivatives (MMOD), which is designed to assess the measurement structure of latent constructs both for analyses of between-person differences and for the analysis of change. Simulation results indicate that MMOD outperforms existing models for multivariate analysis and provides equivalent fit to data generation models. Additional simulations show MMOD capable of detecting differences in between-person and within-person factor structures. Model features, applications and future directions are discussed. PMID:24364383

Model tracking system for low-level radioactive waste disposal facilities: License application interrogatories and responses

DOE Office of Scientific and Technical Information (OSTI.GOV)

Benbennick, M.E.; Broton, M.S.; Fuoto, J.S.

This report describes a model tracking system for a low-level radioactive waste (LLW) disposal facility license application. In particular, the model tracks interrogatories (questions, requests for information, comments) and responses. A set of requirements and desired features for the model tracking system was developed, including required structure and computer screens. Nine tracking systems were then reviewed against the model system requirements and only two were found to meet all requirements. Using Kepner-Tregoe decision analysis, a model tracking system was selected.

Parametric modelling design applied to weft knitted surfaces and its effects in their physical properties

NASA Astrophysics Data System (ADS)

Oliveira, N. P.; Maciel, L.; Catarino, A. P.; Rocha, A. M.

2017-10-01

This work proposes the creation of models of surfaces using a parametric computer modelling software to obtain three-dimensional structures in weft knitted fabrics produced on single needle system machines. Digital prototyping, another feature of digital modelling software, was also explored in three-dimensional drawings generated using the Rhinoceros software. With this approach, different 3D structures were developed and produced. Physical characterization tests were then performed on the resulting 3D weft knitted structures to assess their ability to promote comfort. From the obtained results, it is apparent that the developed structures have potential for application in different market segments, such as clothing and interior textiles.

Considerations for the application of finite element beam modeling to vibration analysis of flight vehicle structures. Ph.D. Thesis - Case Western Reserve Univ.

NASA Technical Reports Server (NTRS)

Kvaternik, R. G.

1976-01-01

The manner of representing a flight vehicle structure as an assembly of beam, spring, and rigid-body components for vibration analysis is described. The development is couched in terms of a substructures methodology which is based on the finite-element stiffness method. The particular manner of employing beam, spring, and rigid-body components to model such items as wing structures, external stores, pylons supporting engines or external stores, and sprung masses associated with launch vehicle fuel slosh is described by means of several simple qualitative examples. A detailed numerical example consisting of a tilt-rotor VTOL aircraft is included to provide a unified illustration of the procedure for representing a structure as an equivalent system of beams, springs, and rigid bodies, the manner of forming the substructure mass and stiffness matrices, and the mechanics of writing the equations of constraint which enforce deflection compatibility at the junctions of the substructures. Since many structures, or selected components of structures, can be represented in this manner for vibration analysis, the modeling concepts described and their application in the numerical example shown should prove generally useful to the dynamicist.

Modeling the Magnetic and Thermal Structure of Active Regions: 1st Year 1st Semi-Annual Progress Report

NASA Technical Reports Server (NTRS)

Mikic, Zoran

2003-01-01

This report covers technical progress during the first six months of the first year of NASA SR&T contract "Modeling the Magnetic and Thermal Structure of Active Regions", NASW-03008, between NASA and Science Applications International Corporation, and covers the period January 14, 2003 to July 13, 2003. Under this contract SAIC has conducted research into theoretical modeling of the properties of active regions using the MHD model.

Application of foam-extend on turbulent fluid-structure interaction

NASA Astrophysics Data System (ADS)

Rege, K.; Hjertager, B. H.

2017-12-01

Turbulent flow around flexible structures is likely to induce structural vibrations which may eventually lead to fatigue failure. In order to assess the fatigue life of these structures, it is necessary to take the action of the flow on the structure into account, but also the influence of the vibrating structure on the fluid flow. This is achieved by performing fluid-structure interaction (FSI) simulations. In this work, we have investigated the capability of a FSI toolkit for the finite volume computational fluid dynamics software foam-extend to simulate turbulence-induced vibrations of a flexible structure. A large-eddy simulation (LES) turbulence model has been implemented to a basic FSI problem of a flexible wall which is placed in a confined, turbulent flow. This problem was simulated for 2.32 seconds. This short simulation required over 200 computation hours, using 20 processor cores. Thereby, it has been shown that the simulation of FSI with LES is possible, but also computationally demanding. In order to make turbulent FSI simulations with foam-extend more applicable, more sophisticated turbulence models and/or faster FSI iteration schemes should be applied.

Rule-based interface generation on mobile devices for structured documentation.

PubMed

Kock, Ann-Kristin; Andersen, Björn; Handels, Heinz; Ingenerf, Josef

2014-01-01

In many software systems to date, interactive graphical user interfaces (GUIs) are represented implicitly in the source code, together with the application logic. Hence, the re-use, development, and modification of these interfaces is often very laborious. Flexible adjustments of GUIs for various platforms and devices as well as individual user preferences are furthermore difficult to realize. These problems motivate a software-based separation of content and GUI models on the one hand, and application logic on the other. In this project, a software solution for structured reporting on mobile devices is developed. Clinical content archetypes developed in a previous project serve as the content model while the Android SDK provides the GUI model. The necessary bindings between the models are specified using the Jess Rule Language.

Application of 3D-QSAR in the rational design of receptor ligands and enzyme inhibitors.

PubMed

Mor, Marco; Rivara, Silvia; Lodola, Alessio; Lorenzi, Simone; Bordi, Fabrizio; Plazzi, Pier Vincenzo; Spadoni, Gilberto; Bedini, Annalida; Duranti, Andrea; Tontini, Andrea; Tarzia, Giorgio

2005-11-01

Quantitative structure-activity relationships (QSARs) are frequently employed in medicinal chemistry projects, both to rationalize structure-activity relationships (SAR) for known series of compounds and to help in the design of innovative structures endowed with desired pharmacological actions. As a difference from the so-called structure-based drug design tools, they do not require the knowledge of the biological target structure, but are based on the comparison of drug structural features, thus being defined ligand-based drug design tools. In the 3D-QSAR approach, structural descriptors are calculated from molecular models of the ligands, as interaction fields within a three-dimensional (3D) lattice of points surrounding the ligand structure. These descriptors are collected in a large X matrix, which is submitted to multivariate analysis to look for correlations with biological activity. Like for other QSARs, the reliability and usefulness of the correlation models depends on the validity of the assumptions and on the quality of the data. A careful selection of compounds and pharmacological data can improve the application of 3D-QSAR analysis in drug design. Some examples of the application of CoMFA and CoMSIA approaches to the SAR study and design of receptor or enzyme ligands is described, pointing the attention to the fields of melatonin receptor ligands and FAAH inhibitors.

Finite element analysis of a deployable space structure

NASA Technical Reports Server (NTRS)

Hutton, D. V.

1982-01-01

To assess the dynamic characteristics of a deployable space truss, a finite element model of the Scientific Applications Space Platform (SASP) truss has been formulated. The model incorporates all additional degrees of freedom associated with the pin-jointed members. Comparison of results with SPAR models of the truss show that the joints of the deployable truss significantly affect the vibrational modes of the structure only if the truss is relatively short.

Aeroelastic effects in multi-rotor vehicles with application to a hybrid heavy lift system. Part 1: Formulation of equations of motion

NASA Technical Reports Server (NTRS)

Venkatesan, C.; Friedman, P.

1984-01-01

This report presents a set of governing coupled differential equations for a model of a hybrid aircraft. The model consists of multiple rotor systems connected by an elastic interconnecting structure, with options to add any combination of or all of the following components; i.e., thrusters, a buoyant hull, and an underslung weight. The dynamic equations are written for the individual blade with hub motions, for the rigid body motions of the whole model, and also for the flexible modes of the interconnecting structure. One of the purposes of this study is to serve as the basis of a numerical study aimed at determining the aeroelastic stability and structural response characteristics of a Hybrid Heavy Lift Airship (HHLA). It is also expected that the formulation may be applicable to analyzing stability and responses of dual rotor helicopters such as a Heavy Lift Helicopter (HLH). Futhermore, the model is capable of representing coupled rotor/body aeromechanical problems of single rotor helicopters.

Random vectors and spatial analysis by geostatistics for geotechnical applications

DOE Office of Scientific and Technical Information (OSTI.GOV)

Young, D.S.

1987-08-01

Geostatistics is extended to the spatial analysis of vector variables by defining the estimation variance and vector variogram in terms of the magnitude of difference vectors. Many random variables in geotechnology are in vectorial terms rather than scalars, and its structural analysis requires those sample variable interpolations to construct and characterize structural models. A better local estimator will result in greater quality of input models; geostatistics can provide such estimators; kriging estimators. The efficiency of geostatistics for vector variables is demonstrated in a case study of rock joint orientations in geological formations. The positive cross-validation encourages application of geostatistics tomore » spatial analysis of random vectors in geoscience as well as various geotechnical fields including optimum site characterization, rock mechanics for mining and civil structures, cavability analysis of block cavings, petroleum engineering, and hydrologic and hydraulic modelings.« less

Village power options

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lilienthal, P.

1997-12-01

This paper describes three different computer codes which have been written to model village power applications. The reasons which have driven the development of these codes include: the existance of limited field data; diverse applications can be modeled; models allow cost and performance comparisons; simulations generate insights into cost structures. The models which are discussed are: Hybrid2, a public code which provides detailed engineering simulations to analyze the performance of a particular configuration; HOMER - the hybrid optimization model for electric renewables - which provides economic screening for sensitivity analyses; and VIPOR the village power model - which is amore » network optimization model for comparing mini-grids to individual systems. Examples of the output of these codes are presented for specific applications.« less

Metrology of deep trench etched memory structures using 3D scatterometry

NASA Astrophysics Data System (ADS)

Reinig, Peter; Dost, Rene; Moert, Manfred; Hingst, Thomas; Mantz, Ulrich; Moffitt, Jasen; Shakya, Sushil; Raymond, Christopher J.; Littau, Mike

2005-05-01

Scatterometry is receiving considerable attention as an emerging optical metrology in the silicon industry. One area of progress in deploying these powerful measurements in process control is performing measurements on real device structures, as opposed to limiting scatterometry measurements to periodic structures, such as line-space gratings, placed in the wafer scribe. In this work we will discuss applications of 3D scatterometry to the measurement of advanced trench memory devices. This is a challenging and complex scatterometry application that requires exceptionally high-performance computational abilities. In order to represent the physical device, the relatively tall structures require a high number of slices in the rigorous coupled wave analysis (RCWA) theoretical model. This is complicated further by the presence of an amorphous silicon hard mask on the surface, which is highly sensitive to reflectance scattering and therefore needs to be modeled in detail. The overall structure is comprised of several layers, with the trenches presenting a complex bow-shape sidewall that must be measured. Finally, the double periodicity in the structures demands significantly greater computational capabilities. Our results demonstrate that angular scatterometry is sensitive to the key parameters of interest. The influence of further model parameters and parameter cross correlations have to be carefully taken into account. Profile results obtained by non-library optimization methods compare favorably with cross-section SEM images. Generating a model library suitable for process control, which is preferred for precision, presents numerical throughput challenges. Details will be discussed regarding library generation approaches and strategies for reducing the numerical overhead. Scatterometry and SEM results will be compared, leading to conclusions about the feasibility of this advanced application.

GalaxyTBM: template-based modeling by building a reliable core and refining unreliable local regions.

PubMed

Ko, Junsu; Park, Hahnbeom; Seok, Chaok

2012-08-10

Protein structures can be reliably predicted by template-based modeling (TBM) when experimental structures of homologous proteins are available. However, it is challenging to obtain structures more accurate than the single best templates by either combining information from multiple templates or by modeling regions that vary among templates or are not covered by any templates. We introduce GalaxyTBM, a new TBM method in which the more reliable core region is modeled first from multiple templates and less reliable, variable local regions, such as loops or termini, are then detected and re-modeled by an ab initio method. This TBM method is based on "Seok-server," which was tested in CASP9 and assessed to be amongst the top TBM servers. The accuracy of the initial core modeling is enhanced by focusing on more conserved regions in the multiple-template selection and multiple sequence alignment stages. Additional improvement is achieved by ab initio modeling of up to 3 unreliable local regions in the fixed framework of the core structure. Overall, GalaxyTBM reproduced the performance of Seok-server, with GalaxyTBM and Seok-server resulting in average GDT-TS of 68.1 and 68.4, respectively, when tested on 68 single-domain CASP9 TBM targets. For application to multi-domain proteins, GalaxyTBM must be combined with domain-splitting methods. Application of GalaxyTBM to CASP9 targets demonstrates that accurate protein structure prediction is possible by use of a multiple-template-based approach, and ab initio modeling of variable regions can further enhance the model quality.

Covariance Structure Model Fit Testing under Missing Data: An Application of the Supplemented EM Algorithm

ERIC Educational Resources Information Center

Cai, Li; Lee, Taehun

2009-01-01

We apply the Supplemented EM algorithm (Meng & Rubin, 1991) to address a chronic problem with the "two-stage" fitting of covariance structure models in the presence of ignorable missing data: the lack of an asymptotically chi-square distributed goodness-of-fit statistic. We show that the Supplemented EM algorithm provides a…

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

NASA Astrophysics Data System (ADS)

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.

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

NASA Astrophysics Data System (ADS)

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

2018-06-01

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.

Single walled boron nitride nanotube-based biosensor: an atomistic finite element modelling approach.

PubMed

Panchal, Mitesh B; Upadhyay, Sanjay H

2014-09-01

The unprecedented dynamic characteristics of nanoelectromechanical systems make them suitable for nanoscale mass sensing applications. Owing to superior biocompatibility, boron nitride nanotubes (BNNTs) are being increasingly used for such applications. In this study, the feasibility of single walled BNNT (SWBNNT)-based bio-sensor has been explored. Molecular structural mechanics-based finite element (FE) modelling approach has been used to analyse the dynamic behaviour of SWBNNT-based biosensors. The application of an SWBNNT-based mass sensing for zeptogram level of mass has been reported. Also, the effect of size of the nanotube in terms of length as well as different chiral atomic structures of SWBNNT has been analysed for their sensitivity analysis. The vibrational behaviour of SWBNNT has been analysed for higher-order modes of vibrations to identify the intermediate landing position of biological object of zeptogram scale. The present molecular structural mechanics-based FE modelling approach is found to be very effectual to incorporate different chiralities of the atomic structures. Also, different boundary conditions can be effectively simulated using the present approach to analyse the dynamic behaviour of the SWBNNT-based mass sensor. The presented study has explored the potential of SWBNNT, as a nanobiosensor having the capability of zeptogram level mass sensing.

Evaluation of Structural Robustness against Column Loss: Methodology and Application to RC Frame Buildings

PubMed Central

Bao, Yihai; Main, Joseph A.; Noh, Sam-Young

2017-01-01

A computational methodology is presented for evaluating structural robustness against column loss. The methodology is illustrated through application to reinforced concrete (RC) frame buildings, using a reduced-order modeling approach for three-dimensional RC framing systems that includes the floor slabs. Comparisons with high-fidelity finite-element model results are presented to verify the approach. Pushdown analyses of prototype buildings under column loss scenarios are performed using the reduced-order modeling approach, and an energy-based procedure is employed to account for the dynamic effects associated with sudden column loss. Results obtained using the energy-based approach are found to be in good agreement with results from direct dynamic analysis of sudden column loss. A metric for structural robustness is proposed, calculated by normalizing the ultimate capacities of the structural system under sudden column loss by the applicable service-level gravity loading and by evaluating the minimum value of this normalized ultimate capacity over all column removal scenarios. The procedure is applied to two prototype 10-story RC buildings, one employing intermediate moment frames (IMFs) and the other employing special moment frames (SMFs). The SMF building, with its more stringent seismic design and detailing, is found to have greater robustness. PMID:28890599

Blind Source Separation for Unimodal and Multimodal Brain Networks: A Unifying Framework for Subspace Modeling

PubMed Central

Silva, Rogers F.; Plis, Sergey M.; Sui, Jing; Pattichis, Marios S.; Adalı, Tülay; Calhoun, Vince D.

2016-01-01

In the past decade, numerous advances in the study of the human brain were fostered by successful applications of blind source separation (BSS) methods to a wide range of imaging modalities. The main focus has been on extracting “networks” represented as the underlying latent sources. While the broad success in learning latent representations from multiple datasets has promoted the wide presence of BSS in modern neuroscience, it also introduced a wide variety of objective functions, underlying graphical structures, and parameter constraints for each method. Such diversity, combined with a host of datatype-specific know-how, can cause a sense of disorder and confusion, hampering a practitioner’s judgment and impeding further development. We organize the diverse landscape of BSS models by exposing its key features and combining them to establish a novel unifying view of the area. In the process, we unveil important connections among models according to their properties and subspace structures. Consequently, a high-level descriptive structure is exposed, ultimately helping practitioners select the right model for their applications. Equipped with that knowledge, we review the current state of BSS applications to neuroimaging. The gained insight into model connections elicits a broader sense of generalization, highlighting several directions for model development. In light of that, we discuss emerging multi-dataset multidimensional (MDM) models and summarize their benefits for the study of the healthy brain and disease-related changes. PMID:28461840

Supramolecular structure of methyl cellulose and lambda- and kappa-carrageenan in water: SAXS study using the string-of-beads model.

PubMed

Dogsa, Iztok; Cerar, Jure; Jamnik, Andrej; Tomšič, Matija

2017-09-15

A detailed data analysis utilizing the string-of-beads model was performed on experimental small-angle X-ray scattering (SAXS) curves in a targeted structural study of three, very important, industrial polysaccharides. The results demonstrate the quality of performance for this model on three polymers with quite different thermal structural behavior. Furthermore, they show the advantages of the model used by way of excellent fits in the ranges where the classic approach to the small-angle scattering data interpretation fails and an additional 3D visualization of the model's molecular conformations and anticipated polysaccharide supramolecular structure. The importance of this study is twofold: firstly, the methodology used and, secondly, the structural details of important biopolymers that are widely applicable in practice. Copyright © 2017 Elsevier Ltd. All rights reserved.

A semi-structured MODFLOW-USG model to evaluate local water sources to wells for decision support

USGS Publications Warehouse

Feinstein, Daniel T.; Fienen, Michael N.; Reeves, Howard W.; Langevin, Christian D.

2016-01-01

In order to better represent the configuration of the stream network and simulate local groundwater-surface water interactions, a version of MODFLOW with refined spacing in the topmost layer was applied to a Lake Michigan Basin (LMB) regional groundwater-flow model developed by the U.S. Geological. Regional MODFLOW models commonly use coarse grids over large areas; this coarse spacing precludes model application to local management issues (e.g., surface-water depletion by wells) without recourse to labor-intensive inset models. Implementation of an unstructured formulation within the MODFLOW framework (MODFLOW-USG) allows application of regional models to address local problems. A “semi-structured” approach (uniform lateral spacing within layers, different lateral spacing among layers) was tested using the LMB regional model. The parent 20-layer model with uniform 5000-foot (1524-m) lateral spacing was converted to 4 layers with 500-foot (152-m) spacing in the top glacial (Quaternary) layer, where surface water features are located, overlying coarser resolution layers representing deeper deposits. This semi-structured version of the LMB model reproduces regional flow conditions, whereas the finer resolution in the top layer improves the accuracy of the simulated response of surface water to shallow wells. One application of the semi-structured LMB model is to provide statistical measures of the correlation between modeled inputs and the simulated amount of water that wells derive from local surface water. The relations identified in this paper serve as the basis for metamodels to predict (with uncertainty) surface-water depletion in response to shallow pumping within and potentially beyond the modeled area, see Fienen et al. (2015a).

Palm: Easing the Burden of Analytical Performance Modeling

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tallent, Nathan R.; Hoisie, Adolfy

2014-06-01

Analytical (predictive) application performance models are critical for diagnosing performance-limiting resources, optimizing systems, and designing machines. Creating models, however, is difficult because they must be both accurate and concise. To ease the burden of performance modeling, we developed Palm, a modeling tool that combines top-down (human-provided) semantic insight with bottom-up static and dynamic analysis. To express insight, Palm defines a source code modeling annotation language. By coordinating models and source code, Palm's models are `first-class' and reproducible. Unlike prior work, Palm formally links models, functions, and measurements. As a result, Palm (a) uses functions to either abstract or express complexitymore » (b) generates hierarchical models (representing an application's static and dynamic structure); and (c) automatically incorporates measurements to focus attention, represent constant behavior, and validate models. We discuss generating models for three different applications.« less

On the road to metallic nanoparticles by rational design: bridging the gap between atomic-level theoretical modeling and reality by total scattering experiments

NASA Astrophysics Data System (ADS)

Prasai, Binay; Wilson, A. R.; Wiley, B. J.; Ren, Y.; Petkov, Valeri

2015-10-01

The extent to which current theoretical modeling alone can reveal real-world metallic nanoparticles (NPs) at the atomic level was scrutinized and demonstrated to be insufficient and how it can be improved by using a pragmatic approach involving straightforward experiments is shown. In particular, 4 to 6 nm in size silica supported Au100-xPdx (x = 30, 46 and 58) explored for catalytic applications is characterized structurally by total scattering experiments including high-energy synchrotron X-ray diffraction (XRD) coupled to atomic pair distribution function (PDF) analysis. Atomic-level models for the NPs are built by molecular dynamics simulations based on the archetypal for current theoretical modeling Sutton-Chen (SC) method. Models are matched against independent experimental data and are demonstrated to be inaccurate unless their theoretical foundation, i.e. the SC method, is supplemented with basic yet crucial information on the length and strength of metal-to-metal bonds and, when necessary, structural disorder in the actual NPs studied. An atomic PDF-based approach for accessing such information and implementing it in theoretical modeling is put forward. For completeness, the approach is concisely demonstrated on 15 nm in size water-dispersed Au particles explored for bio-medical applications and 16 nm in size hexane-dispersed Fe48Pd52 particles explored for magnetic applications as well. It is argued that when ``tuned up'' against experiments relevant to metals and alloys confined to nanoscale dimensions, such as total scattering coupled to atomic PDF analysis, rather than by mere intuition and/or against data for the respective solids, atomic-level theoretical modeling can provide a sound understanding of the synthesis-structure-property relationships in real-world metallic NPs. Ultimately this can help advance nanoscience and technology a step closer to producing metallic NPs by rational design.The extent to which current theoretical modeling alone can reveal real-world metallic nanoparticles (NPs) at the atomic level was scrutinized and demonstrated to be insufficient and how it can be improved by using a pragmatic approach involving straightforward experiments is shown. In particular, 4 to 6 nm in size silica supported Au100-xPdx (x = 30, 46 and 58) explored for catalytic applications is characterized structurally by total scattering experiments including high-energy synchrotron X-ray diffraction (XRD) coupled to atomic pair distribution function (PDF) analysis. Atomic-level models for the NPs are built by molecular dynamics simulations based on the archetypal for current theoretical modeling Sutton-Chen (SC) method. Models are matched against independent experimental data and are demonstrated to be inaccurate unless their theoretical foundation, i.e. the SC method, is supplemented with basic yet crucial information on the length and strength of metal-to-metal bonds and, when necessary, structural disorder in the actual NPs studied. An atomic PDF-based approach for accessing such information and implementing it in theoretical modeling is put forward. For completeness, the approach is concisely demonstrated on 15 nm in size water-dispersed Au particles explored for bio-medical applications and 16 nm in size hexane-dispersed Fe48Pd52 particles explored for magnetic applications as well. It is argued that when ``tuned up'' against experiments relevant to metals and alloys confined to nanoscale dimensions, such as total scattering coupled to atomic PDF analysis, rather than by mere intuition and/or against data for the respective solids, atomic-level theoretical modeling can provide a sound understanding of the synthesis-structure-property relationships in real-world metallic NPs. Ultimately this can help advance nanoscience and technology a step closer to producing metallic NPs by rational design. Electronic supplementary information (ESI) available: XRD patterns, TEM and 3D structure modelling methodology. See DOI: 10.1039/c5nr04678e

A Framework for the Specification of the Semantics and the Dynamics of Instructional Applications

ERIC Educational Resources Information Center

Buendia-Garcia, Felix; Diaz, Paloma

2003-01-01

An instructional application consists of a set of resources and activities to implement interacting, interrelated, and structured experiences oriented towards achieving specific educational objectives. The development of computer-based instructional applications has to follow a well defined process, so models for computer-based instructional…

An "age"-structured model of hematopoietic stem cell organization with application to chronic myeloid leukemia.

PubMed

Roeder, Ingo; Herberg, Maria; Horn, Matthias

2009-04-01

Previously, we have modeled hematopoietic stem cell organization by a stochastic, single cell-based approach. Applications to different experimental systems demonstrated that this model consistently explains a broad variety of in vivo and in vitro data. A major advantage of the agent-based model (ABM) is the representation of heterogeneity within the hematopoietic stem cell population. However, this advantage comes at the price of time-consuming simulations if the systems become large. One example in this respect is the modeling of disease and treatment dynamics in patients with chronic myeloid leukemia (CML), where the realistic number of individual cells to be considered exceeds 10(6). To overcome this deficiency, without losing the representation of the inherent heterogeneity of the stem cell population, we here propose to approximate the ABM by a system of partial differential equations (PDEs). The major benefit of such an approach is its independence from the size of the system. Although this mean field approach includes a number of simplifying assumptions compared to the ABM, it retains the key structure of the model including the "age"-structure of stem cells. We show that the PDE model qualitatively and quantitatively reproduces the results of the agent-based approach.

Progressive Damage Modeling of Durable Bonded Joint Technology

NASA Technical Reports Server (NTRS)

Leone, Frank A.; Davila, Carlos G.; Lin, Shih-Yung; Smeltzer, Stan; Girolamo, Donato; Ghose, Sayata; Guzman, Juan C.; McCarville, Duglas A.

2013-01-01

The development of durable bonded joint technology for assembling composite structures for launch vehicles is being pursued for the U.S. Space Launch System. The present work is related to the development and application of progressive damage modeling techniques to bonded joint technology applicable to a wide range of sandwich structures for a Heavy Lift Launch Vehicle. The joint designs studied in this work include a conventional composite splice joint and a NASA-patented Durable Redundant Joint. Both designs involve a honeycomb sandwich with carbon/epoxy facesheets joined with adhesively bonded doublers. Progressive damage modeling allows for the prediction of the initiation and evolution of damage. For structures that include multiple materials, the number of potential failure mechanisms that must be considered increases the complexity of the analyses. Potential failure mechanisms include fiber fracture, matrix cracking, delamination, core crushing, adhesive failure, and their interactions. The joints were modeled using Abaqus parametric finite element models, in which damage was modeled with user-written subroutines. Each ply was meshed discretely, and layers of cohesive elements were used to account for delaminations and to model the adhesive layers. Good correlation with experimental results was achieved both in terms of load-displacement history and predicted failure mechanisms.

Resolving the structure of Ti 3C 2T x MXenes through multilevel structural modeling of the atomic pair distribution function

DOE PAGES

Wesolowski, David J.; Wang, Hsiu -Wen; Page, Katharine L.; ...

2015-12-08

MXenes are a recently discovered family of two-dimensional (2D) early transition metal carbides and carbonitrides, which have already shown many attractive properties and great promise in energy storage and many other applications. But, a complex surface chemistry and small coherence length have been obstacles in some applications of MXenes, also limiting the accuracy of predictions of their properties. In this study, we describe and benchmark a novel way of modeling layered materials with real interfaces (diverse surface functional groups and stacking order between the adjacent monolayers) against experimental data. The structures of three kinds of Ti 3C 2T x MXenesmore » (T stands for surface terminating species, including O, OH, and F) produced under different synthesis conditions were resolved for the first time using atomic pair distribution function obtained by high-quality neutron total scattering. We present the true nature of the material can be easily captured with the sensitivity of neutron scattering to the surface species of interest and the detailed “third-generation” structure model. The modeling approach leads to new understanding of MXene structural properties and can replace the currently used idealized models in predictions of a variety of physical, chemical, and functional properties of Ti 3C 2-based MXenes. Moreover, the developed models can be employed to guide the design of new MXene materials with selected surface termination and controlled contact angle, catalytic, optical, electrochemical, and other properties. Finally, we suggest that the multilevel structural modeling should form the basis for a generalized methodology on modeling diffraction and pair distribution function data for 2D and layered materials.« less

Fabrication of dielectric elastomer stack transducers (DEST) by liquid deposition modeling

NASA Astrophysics Data System (ADS)

Klug, Florian; Solano-Arana, Susana; Mößinger, Holger; Förster-Zügel, Florentine; Schlaak, Helmut F.

2017-04-01

Established fabrication methods for dielectric elastomer stack transducers (DEST) are mostly based on twodimensional thin-film technology. Because of this, DEST are based on simple two-dimensionally structured shapes. For certain applications, like valves or Braille displays, these structures are suited well enough. However, a more flexible fabrication method allows for more complex actuator designs, which would otherwise require extra processing steps. Fabrication methods with the possibility of three-dimensional structuring allow e.g. the integration of electrical connections, cavities, channels, sensor and other structural elements during the fabrication. This opens up new applications, as well as the opportunity for faster prototype production of individually designed DEST for a given application. In this work, a manufacturing system allowing three dimensional structuring is described. It enables the production of multilayer and three-dimensional structured DEST by liquid deposition modelling. The system is based on a custom made dual extruder, connected to a commercial threeaxis positioning system. It allows a computer controlled liquid deposition of two materials. After tuning the manufacturing parameters the production of thin layers with at thickness of less than 50 μm, as well as stacking electrode and dielectric materials is feasible. With this setup a first DEST with dielectric layer thickness less than 50 μm is build successfully and its performance is evaluated.

Application of a data base management system to a finite element model

NASA Technical Reports Server (NTRS)

Rogers, J. L., Jr.

1980-01-01

In today's software market, much effort is being expended on the development of data base management systems (DBMS). Most commercially available DBMS were designed for business use. However, the need for such systems within the engineering and scientific communities is becoming apparent. A potential DBMS application that appears attractive is the handling of data for finite element engineering models. The applications of a commercially available, business-oriented DBMS to a structural engineering, finite element model is explored. The model, DBMS, an approach to using the DBMS, advantages and disadvantages are described. Plans for research on a scientific and engineering DBMS are discussed.

Structural damage detection for in-service highway bridge under operational and environmental variability

NASA Astrophysics Data System (ADS)

Jin, Chenhao; Li, Jingcheng; Jang, Shinae; Sun, Xiaorong; Christenson, Richard

2015-03-01

Structural health monitoring has drawn significant attention in the past decades with numerous methodologies and applications for civil structural systems. Although many researchers have developed analytical and experimental damage detection algorithms through vibration-based methods, these methods are not widely accepted for practical structural systems because of their sensitivity to uncertain environmental and operational conditions. The primary environmental factor that influences the structural modal properties is temperature. The goal of this article is to analyze the natural frequency-temperature relationships and detect structural damage in the presence of operational and environmental variations using modal-based method. For this purpose, correlations between natural frequency and temperature are analyzed to select proper independent variables and inputs for the multiple linear regression model and neural network model. In order to capture the changes of natural frequency, confidence intervals to detect the damages for both models are generated. A long-term structural health monitoring system was installed on an in-service highway bridge located in Meriden, Connecticut to obtain vibration and environmental data. Experimental testing results show that the variability of measured natural frequencies due to temperature is captured, and the temperature-induced changes in natural frequencies have been considered prior to the establishment of the threshold in the damage warning system. This novel approach is applicable for structural health monitoring system and helpful to assess the performance of the structure for bridge management and maintenance.

Framework for Understanding Structural Errors (FUSE): A modular framework to diagnose differences between hydrological models

USGS Publications Warehouse

Clark, Martyn P.; Slater, Andrew G.; Rupp, David E.; Woods, Ross A.; Vrugt, Jasper A.; Gupta, Hoshin V.; Wagener, Thorsten; Hay, Lauren E.

2008-01-01

The problems of identifying the most appropriate model structure for a given problem and quantifying the uncertainty in model structure remain outstanding research challenges for the discipline of hydrology. Progress on these problems requires understanding of the nature of differences between models. This paper presents a methodology to diagnose differences in hydrological model structures: the Framework for Understanding Structural Errors (FUSE). FUSE was used to construct 79 unique model structures by combining components of 4 existing hydrological models. These new models were used to simulate streamflow in two of the basins used in the Model Parameter Estimation Experiment (MOPEX): the Guadalupe River (Texas) and the French Broad River (North Carolina). Results show that the new models produced simulations of streamflow that were at least as good as the simulations produced by the models that participated in the MOPEX experiment. Our initial application of the FUSE method for the Guadalupe River exposed relationships between model structure and model performance, suggesting that the choice of model structure is just as important as the choice of model parameters. However, further work is needed to evaluate model simulations using multiple criteria to diagnose the relative importance of model structural differences in various climate regimes and to assess the amount of independent information in each of the models. This work will be crucial to both identifying the most appropriate model structure for a given problem and quantifying the uncertainty in model structure. To facilitate research on these problems, the FORTRAN‐90 source code for FUSE is available upon request from the lead author.

Galerkin finite element scheme for magnetostrictive structures and composites

NASA Astrophysics Data System (ADS)

Kannan, Kidambi Srinivasan

The ever increasing-role of magnetostrictives in actuation and sensing applications is an indication of their importance in the emerging field of smart structures technology. As newer, and more complex, applications are developed, there is a growing need for a reliable computational tool that can effectively address the magneto-mechanical interactions and other nonlinearities in these materials and in structures incorporating them. This thesis presents a continuum level quasi-static, three-dimensional finite element computational scheme for modeling the nonlinear behavior of bulk magnetostrictive materials and particulate magnetostrictive composites. Models for magnetostriction must deal with two sources of nonlinearities-nonlinear body forces/moments in equilibrium equations governing magneto-mechanical interactions in deformable and magnetized bodies; and nonlinear coupled magneto-mechanical constitutive models for the material of interest. In the present work, classical differential formulations for nonlinear magneto-mechanical interactions are recast in integral form using the weighted-residual method. A discretized finite element form is obtained by applying the Galerkin technique. The finite element formulation is based upon three dimensional eight-noded (isoparametric) brick element interpolation functions and magnetostatic infinite elements at the boundary. Two alternative possibilities are explored for establishing the nonlinear incremental constitutive model-characterization in terms of magnetic field or in terms of magnetization. The former methodology is the one most commonly used in the literature. In this work, a detailed comparative study of both methodologies is carried out. The computational scheme is validated, qualitatively and quantitatively, against experimental measurements published in the literature on structures incorporating the magnetostrictive material Terfenol-D. The influence of nonlinear body forces and body moments of magnetic origin, on the response of magnetostrictive structures to complex mechanical and magnetic loading conditions, is carefully examined. While monolithic magnetostrictive materials have been commercially-available since the late eighties, attention in the smart structures research community has recently focussed upon building and using magnetostrictive particulate composite structures for conventional actuation applications and novel sensing methodologies in structural health monitoring. A particulate magnetostrictive composite element has been developed in the present work to model such structures. This composite element incorporates interactions between magnetostrictive particles by combining a numerical micromechanical analysis based on magneto-mechanical Green's functions, with a homogenization scheme based upon the Mori-Tanaka approach. This element has been applied to the simulation of particulate actuators and sensors reported in the literature. Simulation results are compared to experimental data for validation purposes. The computational schemes developed, for bulk materials and for composites, are expected to be of great value to researchers and designers of novel applications based on magnetostrictives.

Thermally Sprayed High Temperature Sandwich Structures: Physical Properties and Mechanical Performance

NASA Astrophysics Data System (ADS)

Salavati, Saeid

Metallic foam core sandwich structures have been of particular interest for engineering applications in recent decades due to their unique physical and mechanical properties. One of the potential applications of open pore metallic foam core sandwich structures is in heat exchangers. An investigation of sandwich structures fabricated from materials suitable for application at high temperatures and in corrosive environments was undertaken in this project. A novel method for fabrication of metallic foam core sandwich structures is thermal spray deposition of the faces on the prepared surfaces of the metallic foam substrate. The objective of the current study was to optimize the twin wire arc spray process parameters for the deposition of alloy 625 faces with controllable porosity content on the nickel foam substrate, and to characterize the physical and mechanical properties of the sandwich structure. The experimental investigations consisted of microstructural evaluation of the skin material and the foam substrate, investigation of the effect of alloying on the mechanical and thermal properties of the nickel foam, optimization of the grit-blasting and arc spray processes, observation of mechanical properties of the alloy 625 deposit by tensile testing and evaluation of the overall mechanical properties of the sandwich structure under flexural loading condition. The optimization of arc spraying process parameters allowed deposition of alloy 625 faces with a porosity of less than 4% for heat exchanger applications. Modification of the arc spraying process by co-deposition of polyester powder enabled 20% porosity to be obtained in the deposited faces for heat shield applications with film cooling. The effects of nickel foam alloying and heat treatment on the flexural rigidity of the sandwich structures were investigated and compared with as-received foam and as-fabricated sandwich structures. Available analytical models were employed to describe the effect of constituents' mechanical properties on the overall mechanical performance of the sandwich structures. Finite element modeling using ANSYS Structural was used to simulate the behaviour of the sandwich structures in four-point bending. The analytical and simulation results were compared with the experimental results obtained from the flexural tests.

Implementation of UML Schema to RDBM

NASA Astrophysics Data System (ADS)

Nagni, M.; Ventouras, S.; Parton, G.

2012-04-01

Multiple disciplines - especially those within the earth and physical sciences, and increasingly those within social science and medical fields - require Geographic Information (GI) i.e. information concerning phenomena implicitly or explicitly associated with a location relative to the Earth [1]. Therefore geographic datasets are increasingly being shared, exchanged and frequently used for purposes other than those for which they were originally intended. The ISO Technical Committee 211 (ISO/TC 211) together with Open Geospatial Consortium (OGC) provide a series of standards and guidelines for developing application schemas which should: a) capture relevant conceptual aspects of the data involved; and b) be sufficient to satisfy previously defined use-cases of a specific or cross-domain concerns. In addition, the Hollow World technology offers an accessible and industry-standardised methodology for creating and editing Application Schema UML models which conform to international standards for interoperable GI [2]. We present a technology which seamlessly transforms an Application Schema UML model to a relational database model (RDBM). This technology, using the same UML information model, complements the XML transformation of an information model produced by the FullMoon tool [2]. In preparation for the generation of a RDBM the UML model is first mapped to a collection of OO classes and relationships. Any external dependencies that exist are then resolved through the same mechanism. However, a RDBM does not support a hierarchical (relational) data structure - a function that may be required by UML models. Previous approaches have addressed this problem through use of nested sets or an adjacent list to represent such structure. Our unique strategy addresses the hierarchical data structure issue, whether singular or multiple inheritance, by hiding a delegation pattern within an OO class. This permits the object-relational mapping (ORM) software used to generate the RDBM to easily map the class into the RDBM. In other words the particular structure of the resulting OO class may expose a "composition-like aspect" to the ORM whilst maintaining an "inherited-like aspect" for use within an OO program. This methodology has been used to implement a software application to manages the new CEDA metadata model which is based on MOLES 3.4, Python, Django and SQLAlchemy.

Unsymmetric Lanczos model reduction and linear state function observer for flexible structures

NASA Technical Reports Server (NTRS)

Su, Tzu-Jeng; Craig, Roy R., Jr.

1991-01-01

This report summarizes part of the research work accomplished during the second year of a two-year grant. The research, entitled 'Application of Lanczos Vectors to Control Design of Flexible Structures' concerns various ways to use Lanczos vectors and Krylov vectors to obtain reduced-order mathematical models for use in the dynamic response analyses and in control design studies. This report presents a one-sided, unsymmetric block Lanczos algorithm for model reduction of structural dynamics systems with unsymmetric damping matrix, and a control design procedure based on the theory of linear state function observers to design low-order controllers for flexible structures.

Vibrations and structureborne noise in space station

NASA Technical Reports Server (NTRS)

Vaicaitis, R.

1985-01-01

Theoretical models were developed capable of predicting structural response and noise transmission to random point mechanical loads. Fiber reinforced composite and aluminum materials were considered. Cylindrical shells and circular plates were taken as typical representatives of structural components for space station habitability modules. Analytical formulations include double wall and single wall constructions. Pressurized and unpressurized models were considered. Parametric studies were conducted to determine the effect on structural response and noise transmission due to fiber orientation, point load location, damping in the core and the main load carrying structure, pressurization, interior acoustic absorption, etc. These analytical models could serve as preliminary tools for assessing noise related problems, for space station applications.

From intuition to statistics in building subsurface structural models

USGS Publications Warehouse

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.

Application of soft computing based hybrid models in hydrological variables modeling: a comprehensive review

NASA Astrophysics Data System (ADS)

Fahimi, Farzad; Yaseen, Zaher Mundher; El-shafie, Ahmed

2017-05-01

Since the middle of the twentieth century, artificial intelligence (AI) models have been used widely in engineering and science problems. Water resource variable modeling and prediction are the most challenging issues in water engineering. Artificial neural network (ANN) is a common approach used to tackle this problem by using viable and efficient models. Numerous ANN models have been successfully developed to achieve more accurate results. In the current review, different ANN models in water resource applications and hydrological variable predictions are reviewed and outlined. In addition, recent hybrid models and their structures, input preprocessing, and optimization techniques are discussed and the results are compared with similar previous studies. Moreover, to achieve a comprehensive view of the literature, many articles that applied ANN models together with other techniques are included. Consequently, coupling procedure, model evaluation, and performance comparison of hybrid models with conventional ANN models are assessed, as well as, taxonomy and hybrid ANN models structures. Finally, current challenges and recommendations for future researches are indicated and new hybrid approaches are proposed.

The future of structural fieldwork - UAV assisted aerial photogrammetry

NASA Astrophysics Data System (ADS)

Vollgger, Stefan; Cruden, Alexander

2015-04-01

Unmanned aerial vehicles (UAVs), commonly referred to as drones, are opening new and low cost possibilities to acquire high-resolution aerial images and digital surface models (DSM) for applications in structural geology. UAVs can be programmed to fly autonomously along a user defined grid to systematically capture high-resolution photographs, even in difficult to access areas. The photographs are subsequently processed using software that employ SIFT (scale invariant feature transform) and SFM (structure from motion) algorithms. These photogrammetric routines allow the extraction of spatial information (3D point clouds, digital elevation models, 3D meshes, orthophotos) from 2D images. Depending on flight altitude and camera setup, sub-centimeter spatial resolutions can be achieved. By "digitally mapping" georeferenced 3D models and images, orientation data can be extracted directly and used to analyse the structural framework of the mapped object or area. We present UAV assisted aerial mapping results from a coastal platform near Cape Liptrap (Victoria, Australia), where deformed metasediments of the Palaeozoic Lachlan Fold Belt are exposed. We also show how orientation and spatial information of brittle and ductile structures extracted from the photogrammetric model can be linked to the progressive development of folds and faults in the region. Even though there are both technical and legislative limitations, which might prohibit the use of UAVs without prior commercial licensing and training, the benefits that arise from the resulting high-resolution, photorealistic models can substantially contribute to the collection of new data and insights for applications in structural geology.

Novel Multidisciplinary Models Assess the Capabilities of Smart Structures to Manage Vibration, Sound, and Thermal Distortion in Aeropropulsion Components

NASA Technical Reports Server (NTRS)

Saravanos, Dimitris A.

1997-01-01

The development of aeropropulsion components that incorporate "smart" composite laminates with embedded piezoelectric actuators and sensors is expected to ameliorate critical problems in advanced aircraft engines related to vibration, noise emission, and thermal stability. To facilitate the analytical needs of this effort, the NASA Lewis Research Center has developed mechanics and multidisciplinary computational models to analyze the complicated electromechanical behavior of realistic smart-structure configurations operating in combined mechanical, thermal, and acoustic environments. The models have been developed to accommodate the particular geometries, environments, and technical challenges encountered in advanced aircraft engines, yet their unique analytical features are expected to facilitate application of this new technology in a variety of commercial applications.

Surface Modeling, Grid Generation, and Related Issues in Computational Fluid Dynamic (CFD) Solutions

NASA Technical Reports Server (NTRS)

Choo, Yung K. (Compiler)

1995-01-01

The NASA Steering Committee for Surface Modeling and Grid Generation (SMAGG) sponsored a workshop on surface modeling, grid generation, and related issues in Computational Fluid Dynamics (CFD) solutions at Lewis Research Center, Cleveland, Ohio, May 9-11, 1995. The workshop provided a forum to identify industry needs, strengths, and weaknesses of the five grid technologies (patched structured, overset structured, Cartesian, unstructured, and hybrid), and to exchange thoughts about where each technology will be in 2 to 5 years. The workshop also provided opportunities for engineers and scientists to present new methods, approaches, and applications in SMAGG for CFD. This Conference Publication (CP) consists of papers on industry overview, NASA overview, five grid technologies, new methods/ approaches/applications, and software systems.

Static Aeroelastic Analysis with an Inviscid Cartesian Method

NASA Technical Reports Server (NTRS)

Rodriguez, David L.; Aftosmis, Michael J.; Nemec, Marian; Smith, Stephen C.

2014-01-01

An embedded-boundary Cartesian-mesh flow solver is coupled with a three degree-offreedom structural model to perform static, aeroelastic analysis of complex aircraft geometries. The approach solves the complete system of aero-structural equations using a modular, loosely-coupled strategy which allows the lower-fidelity structural model to deform the highfidelity CFD model. The approach uses an open-source, 3-D discrete-geometry engine to deform a triangulated surface geometry according to the shape predicted by the structural model under the computed aerodynamic loads. The deformation scheme is capable of modeling large deflections and is applicable to the design of modern, very-flexible transport wings. The interface is modular so that aerodynamic or structural analysis methods can be easily swapped or enhanced. This extended abstract includes a brief description of the architecture, along with some preliminary validation of underlying assumptions and early results on a generic 3D transport model. The final paper will present more concrete cases and validation of the approach. Preliminary results demonstrate convergence of the complete aero-structural system and investigate the accuracy of the approximations used in the formulation of the structural model.

Application of Interval Predictor Models to Space Radiation Shielding

NASA Technical Reports Server (NTRS)

Crespo, Luis G.; Kenny, Sean P.; Giesy,Daniel P.; Norman, Ryan B.; Blattnig, Steve R.

2016-01-01

This paper develops techniques for predicting the uncertainty range of an output variable given input-output data. These models are called Interval Predictor Models (IPM) because they yield an interval valued function of the input. This paper develops IPMs having a radial basis structure. This structure enables the formal description of (i) the uncertainty in the models parameters, (ii) the predicted output interval, and (iii) the probability that a future observation would fall in such an interval. In contrast to other metamodeling techniques, this probabilistic certi cate of correctness does not require making any assumptions on the structure of the mechanism from which data are drawn. Optimization-based strategies for calculating IPMs having minimal spread while containing all the data are developed. Constraints for bounding the minimum interval spread over the continuum of inputs, regulating the IPMs variation/oscillation, and centering its spread about a target point, are used to prevent data over tting. Furthermore, we develop an approach for using expert opinion during extrapolation. This metamodeling technique is illustrated using a radiation shielding application for space exploration. In this application, we use IPMs to describe the error incurred in predicting the ux of particles resulting from the interaction between a high-energy incident beam and a target.

Iterative model building, structure refinement and density modification with the PHENIX AutoBuild wizard

PubMed Central

Terwilliger, Thomas C.; Grosse-Kunstleve, Ralf W.; Afonine, Pavel V.; Moriarty, Nigel W.; Zwart, Peter H.; Hung, Li-Wei; Read, Randy J.; Adams, Paul D.

2008-01-01

The PHENIX AutoBuild wizard is a highly automated tool for iterative model building, structure refinement and density modification using RESOLVE model building, RESOLVE statistical density modification and phenix.refine structure refinement. Recent advances in the AutoBuild wizard and phenix.refine include automated detection and application of NCS from models as they are built, extensive model-completion algorithms and automated solvent-molecule picking. Model-completion algorithms in the AutoBuild wizard include loop building, crossovers between chains in different models of a structure and side-chain optimization. The AutoBuild wizard has been applied to a set of 48 structures at resolutions ranging from 1.1 to 3.2 Å, resulting in a mean R factor of 0.24 and a mean free R factor of 0.29. The R factor of the final model is dependent on the quality of the starting electron density and is relatively independent of resolution. PMID:18094468

Semiparametric mixed-effects analysis of PK/PD models using differential equations.

PubMed

Wang, Yi; Eskridge, Kent M; Zhang, Shunpu

2008-08-01

Motivated by the use of semiparametric nonlinear mixed-effects modeling on longitudinal data, we develop a new semiparametric modeling approach to address potential structural model misspecification for population pharmacokinetic/pharmacodynamic (PK/PD) analysis. Specifically, we use a set of ordinary differential equations (ODEs) with form dx/dt = A(t)x + B(t) where B(t) is a nonparametric function that is estimated using penalized splines. The inclusion of a nonparametric function in the ODEs makes identification of structural model misspecification feasible by quantifying the model uncertainty and provides flexibility for accommodating possible structural model deficiencies. The resulting model will be implemented in a nonlinear mixed-effects modeling setup for population analysis. We illustrate the method with an application to cefamandole data and evaluate its performance through simulations.

A general graphical user interface for automatic reliability modeling

NASA Technical Reports Server (NTRS)

Liceaga, Carlos A.; Siewiorek, Daniel P.

1991-01-01

Reported here is a general Graphical User Interface (GUI) for automatic reliability modeling of Processor Memory Switch (PMS) structures using a Markov model. This GUI is based on a hierarchy of windows. One window has graphical editing capabilities for specifying the system's communication structure, hierarchy, reconfiguration capabilities, and requirements. Other windows have field texts, popup menus, and buttons for specifying parameters and selecting actions. An example application of the GUI is given.

A Review of the Combination of Experimental Measurements and Fibril-Reinforced Modeling for Investigation of Articular Cartilage and Chondrocyte Response to Loading

PubMed Central

Wilson, Wouter; Isaksson, Hanna; Jurvelin, Jukka S.; Herzog, Walter; Korhonen, Rami K.

2013-01-01

The function of articular cartilage depends on its structure and composition, sensitively impaired in disease (e.g. osteoarthritis, OA). Responses of chondrocytes to tissue loading are modulated by the structure. Altered cell responses as an effect of OA may regulate cartilage mechanotransduction and cell biosynthesis. To be able to evaluate cell responses and factors affecting the onset and progression of OA, local tissue and cell stresses and strains in cartilage need to be characterized. This is extremely challenging with the presently available experimental techniques and therefore computational modeling is required. Modern models of articular cartilage are inhomogeneous and anisotropic, and they include many aspects of the real tissue structure and composition. In this paper, we provide an overview of the computational applications that have been developed for modeling the mechanics of articular cartilage at the tissue and cellular level. We concentrate on the use of fibril-reinforced models of cartilage. Furthermore, we introduce practical considerations for modeling applications, including also experimental tests that can be combined with the modeling approach. At the end, we discuss the prospects for patient-specific models when aiming to use finite element modeling analysis and evaluation of articular cartilage function, cellular responses, failure points, OA progression, and rehabilitation. PMID:23653665

Application of an Elastic-Plastic Methodology to Structural Integrity Evaluation,

DTIC Science & Technology

The elastic plastic fracture mechanics ( EPFM ) technology has advanced to the point where it can be used to make a realistic assessment of the...concepts of EPFM into a structural stability evaluation. The structure is modeled as a cracked test specimen either in series or parallel with a spring

14 CFR 26.43 - Holders of and applicants for type certificates-Repairs.

Code of Federal Regulations, 2014 CFR

2014-01-01

... payload capacity of 7,500 pounds or more. (b) List of fatigue critical baseline structure. For airplanes...) Identify fatigue critical baseline structure for all airplane model variations and derivatives approved... affects fatigue critical baseline structure identified under paragraph (b)(1) of this section; (2) Perform...

14 CFR 26.43 - Holders of and applicants for type certificates-Repairs.

Code of Federal Regulations, 2011 CFR

2011-01-01

... payload capacity of 7,500 pounds or more. (b) List of fatigue critical baseline structure. For airplanes...) Identify fatigue critical baseline structure for all airplane model variations and derivatives approved... affects fatigue critical baseline structure identified under paragraph (b)(1) of this section; (2) Perform...

14 CFR 26.43 - Holders of and applicants for type certificates-Repairs.

Code of Federal Regulations, 2012 CFR

2012-01-01

... payload capacity of 7,500 pounds or more. (b) List of fatigue critical baseline structure. For airplanes...) Identify fatigue critical baseline structure for all airplane model variations and derivatives approved... affects fatigue critical baseline structure identified under paragraph (b)(1) of this section; (2) Perform...

14 CFR 26.43 - Holders of and applicants for type certificates-Repairs.

Code of Federal Regulations, 2013 CFR

2013-01-01

... payload capacity of 7,500 pounds or more. (b) List of fatigue critical baseline structure. For airplanes...) Identify fatigue critical baseline structure for all airplane model variations and derivatives approved... affects fatigue critical baseline structure identified under paragraph (b)(1) of this section; (2) Perform...

14 CFR 26.43 - Holders of and applicants for type certificates-Repairs.

Code of Federal Regulations, 2010 CFR

2010-01-01

... payload capacity of 7,500 pounds or more. (b) List of fatigue critical baseline structure. For airplanes...) Identify fatigue critical baseline structure for all airplane model variations and derivatives approved... affects fatigue critical baseline structure identified under paragraph (b)(1) of this section; (2) Perform...

Formulation of human-structure interaction system models for vertical vibration

NASA Astrophysics Data System (ADS)

Caprani, Colin C.; Ahmadi, Ehsan

2016-09-01

In this paper, human-structure interaction system models for vibration in the vertical direction are considered. This work assembles various moving load models from the literature and proposes extension of the single pedestrian to a crowd of pedestrians for the FE formulation for crowd-structure interaction systems. The walking pedestrian vertical force is represented as a general time-dependent force, and the pedestrian is in turn modelled as moving force, moving mass, and moving spring-mass-damper. The arbitrary beam structure is modelled using either a formulation in modal coordinates or finite elements. In each case, the human-structure interaction (HSI) system is first formulated for a single walking pedestrian and then extended to consider a crowd of pedestrians. Finally, example applications for single pedestrian and crowd loading scenarios are examined. It is shown how the models can be used to quantify the interaction between the crowd and bridge structure. This work should find use for the evaluation of existing and new footbridges.

Numerical analysis of the performance of rock weirs: Effects of structure configuration on local hydraulics

USGS Publications Warehouse

Holmquist-Johnson, C. L.

2009-01-01

River spanning rock structures are being constructed for water delivery as well as to enable fish passage at barriers and provide or improve the aquatic habitat for endangered fish species. Current design methods are based upon anecdotal information applicable to a narrow range of channel conditions. The complex flow patterns and performance of rock weirs is not well understood. Without accurate understanding of their hydraulics, designers cannot address the failure mechanisms of these structures. Flow characteristics such as jets, near bed velocities, recirculation, eddies, and plunging flow govern scour pool development. These detailed flow patterns can be replicated using a 3D numerical model. Numerical studies inexpensively simulate a large number of cases resulting in an increased range of applicability in order to develop design tools and predictive capability for analysis and design. The analysis and results of the numerical modeling, laboratory modeling, and field data provide a process-based method for understanding how structure geometry affects flow characteristics, scour development, fish passage, water delivery, and overall structure stability. Results of the numerical modeling allow designers to utilize results of the analysis to determine the appropriate geometry for generating desirable flow parameters. The end product of this research will develop tools and guidelines for more robust structure design or retrofits based upon predictable engineering and hydraulic performance criteria. ?? 2009 ASCE.

Stability and Interaction of Coherent Structure in Supersonic Reactive Wakes

NASA Technical Reports Server (NTRS)

Menon, Suresh

1983-01-01

A theoretical formulation and analysis is presented for a study of the stability and interaction of coherent structure in reacting free shear layers. The physical problem under investigation is a premixed hydrogen-oxygen reacting shear layer in the wake of a thin flat plate. The coherent structure is modeled as a periodic disturbance and its stability is determined by the application of linearized hydrodynamic stability theory which results in a generalized eigenvalue problem for reactive flows. Detailed stability analysis of the reactive wake for neutral, symmetrical and antisymmetrical disturbance is presented. Reactive stability criteria is shown to be quite different from classical non-reactive stability. The interaction between the mean flow, coherent structure and fine-scale turbulence is theoretically formulated using the von-Kaman integral technique. Both time-averaging and conditional phase averaging are necessary to separate the three types of motion. The resulting integro-differential equations can then be solved subject to initial conditions with appropriate shape functions. In the laminar flow transition region of interest, the spatial interaction between the mean motion and coherent structure is calculated for both non-reactive and reactive conditions and compared with experimental data wherever available. The fine-scale turbulent motion determined by the application of integral analysis to the fluctuation equations. Since at present this turbulence model is still untested, turbulence is modeled in the interaction problem by a simple algebraic eddy viscosity model. The applicability of the integral turbulence model formulated here is studied parametrically by integrating these equations for the simple case of self-similar mean motion with assumed shape functions. The effect of the motion of the coherent structure is studied and very good agreement is obtained with previous experimental and theoretical works for non-reactive flow. For the reactive case, lack of experimental data made direct comparison difficult. It was determined that the growth rate of the disturbance amplitude is lower for reactive case. The results indicate that the reactive flow stability is in qualitative agreement with experimental observation.

A human body model for efficient numerical characterization of UWB signal propagation in wireless body area networks.

PubMed

Lim, Hooi Been; Baumann, Dirk; Li, Er-Ping

2011-03-01

Wireless body area network (WBAN) is a new enabling system with promising applications in areas such as remote health monitoring and interpersonal communication. Reliable and optimum design of a WBAN system relies on a good understanding and in-depth studies of the wave propagation around a human body. However, the human body is a very complex structure and is computationally demanding to model. This paper aims to investigate the effects of the numerical model's structure complexity and feature details on the simulation results. Depending on the application, a simplified numerical model that meets desired simulation accuracy can be employed for efficient simulations. Measurements of ultra wideband (UWB) signal propagation along a human arm are performed and compared to the simulation results obtained with numerical arm models of different complexity levels. The influence of the arm shape and size, as well as tissue composition and complexity is investigated.

Application of attachment modes in the control of large space structures

NASA Technical Reports Server (NTRS)

Craig, Roy R., Jr.

1989-01-01

Various ways are examined to obtain reduced order mathematical models of structures for use in dynamic response analyses and in controller design studies. Attachment modes are deflection shapes of a structure subjected to specified unit load distributions. Attachment modes are frequently employed to supplement free-interface normal modes to improve the modeling of components (structures) employed in component mode synthesis analyses. Deflection shapes of structures subjected to generalized loads of some specified distribution and of unit magnitude can also be considered to be attachment modes. Several papers which were written under this contract are summarized herein.

Application of the AMPLE cluster-and-truncate approach to NMR structures for molecular replacement

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bibby, Jaclyn; Keegan, Ronan M.; Mayans, Olga

2013-11-01

Processing of NMR structures for molecular replacement by AMPLE works well. AMPLE is a program developed for clustering and truncating ab initio protein structure predictions into search models for molecular replacement. Here, it is shown that its core cluster-and-truncate methods also work well for processing NMR ensembles into search models. Rosetta remodelling helps to extend success to NMR structures bearing low sequence identity or high structural divergence from the target protein. Potential future routes to improved performance are considered and practical, general guidelines on using AMPLE are provided.

Interaction between adatoms on surfaces: Application to the system H/Ni(111)

NASA Astrophysics Data System (ADS)

Muscat, J. P.; Newns, D. M.

1981-04-01

The interaction of adatoms on a metal surface is looked at from a novel viewpoint, using the techniques of the embedded cluster model of chemisorption. Application is made to the problem of two hydrogen atoms on a free electron surface with simple derivation of the well known R-5 asymptotic behaviour for the interaction, at large inter-adatom distances R, compared to the corresponding R-3 behaviour for two impurities in a bulk free electron gas. Application of the free electron model to the case of H/Ni(111) does not reproduce the experimental observation of formation of a graphitic structure on the surface. Inclusion of the l = 2 nickel muffin tins corrects for this anomaly, and is seen to favour the formation of the above mentioned structure.

Planning, creating and documenting a NASTRAN finite element model of a modern helicopter

NASA Technical Reports Server (NTRS)

Gabal, R.; Reed, D.; Ricks, R.; Kesack, W.

1985-01-01

Mathematical models based on the finite element method of structural analysis as embodied in the NASTRAN computer code are widely used by the helicopter industry to calculate static internal loads and vibration of airframe structure. The internal loads are routinely used for sizing structural members. The vibration predictions are not yet relied on during design. NASA's Langley Research Center sponsored a program to conduct an application of the finite element method with emphasis on predicting structural vibration. The Army/Boeing CH-47D helicopter was used as the modeling subject. The objective was to engender the needed trust in vibration predictions using these models and establish a body of modeling guides which would enable confident future prediction of airframe vibration as part of the regular design process.

Utilizing a structural meta-ontology for family-based quality assurance of the BioPortal ontologies.

PubMed

Ochs, Christopher; He, Zhe; Zheng, Ling; Geller, James; Perl, Yehoshua; Hripcsak, George; Musen, Mark A

2016-06-01

An Abstraction Network is a compact summary of an ontology's structure and content. In previous research, we showed that Abstraction Networks support quality assurance (QA) of biomedical ontologies. The development of an Abstraction Network and its associated QA methodologies, however, is a labor-intensive process that previously was applicable only to one ontology at a time. To improve the efficiency of the Abstraction-Network-based QA methodology, we introduced a QA framework that uses uniform Abstraction Network derivation techniques and QA methodologies that are applicable to whole families of structurally similar ontologies. For the family-based framework to be successful, it is necessary to develop a method for classifying ontologies into structurally similar families. We now describe a structural meta-ontology that classifies ontologies according to certain structural features that are commonly used in the modeling of ontologies (e.g., object properties) and that are important for Abstraction Network derivation. Each class of the structural meta-ontology represents a family of ontologies with identical structural features, indicating which types of Abstraction Networks and QA methodologies are potentially applicable to all of the ontologies in the family. We derive a collection of 81 families, corresponding to classes of the structural meta-ontology, that enable a flexible, streamlined family-based QA methodology, offering multiple choices for classifying an ontology. The structure of 373 ontologies from the NCBO BioPortal is analyzed and each ontology is classified into multiple families modeled by the structural meta-ontology. Copyright © 2016 Elsevier Inc. All rights reserved.

Application of a Meso-scale Based Ballistic Fabric Model to the Development of Advanced Lightweight Engine Fan Blade-Out Containment Structure

DTIC Science & Technology

2012-09-01

composed of a basic metallic shell structure with a dry Kevlar wrap around it is considered. The fan blade is made of titanium alloy modeled by a Johnson...material. A multilayered Kevlar woven dry fabric structure is wrapped around the thin aluminum shell to form a soft hybrid fan case. A woven fabric material...debris protection fan case composed of a basic metallic shell structure with a dry Kevlar wrap around it is considered. The fan blade is made of titanium

Embedded random matrix ensembles from nuclear structure and their recent applications

NASA Astrophysics Data System (ADS)

Kota, V. K. B.; Chavda, N. D.

Embedded random matrix ensembles generated by random interactions (of low body rank and usually two-body) in the presence of a one-body mean field, introduced in nuclear structure physics, are now established to be indispensable in describing statistical properties of a large number of isolated finite quantum many-particle systems. Lie algebra symmetries of the interactions, as identified from nuclear shell model and the interacting boson model, led to the introduction of a variety of embedded ensembles (EEs). These ensembles with a mean field and chaos generating two-body interaction generate in three different stages, delocalization of wave functions in the Fock space of the mean-field basis states. The last stage corresponds to what one may call thermalization and complex nuclei, as seen from many shell model calculations, lie in this region. Besides briefly describing them, their recent applications to nuclear structure are presented and they are (i) nuclear level densities with interactions; (ii) orbit occupancies; (iii) neutrinoless double beta decay nuclear transition matrix elements as transition strengths. In addition, their applications are also presented briefly that go beyond nuclear structure and they are (i) fidelity, decoherence, entanglement and thermalization in isolated finite quantum systems with interactions; (ii) quantum transport in disordered networks connected by many-body interactions with centrosymmetry; (iii) semicircle to Gaussian transition in eigenvalue densities with k-body random interactions and its relation to the Sachdev-Ye-Kitaev (SYK) model for majorana fermions.

A DGTD method for the numerical modeling of the interaction of light with nanometer scale metallic structures taking into account non-local dispersion effects

DOE Office of Scientific and Technical Information (OSTI.GOV)

Schmitt, Nikolai; Technische Universitaet Darmstadt, Institut fuer Theorie Elektromagnetischer Felder; Scheid, Claire

2016-07-01

The interaction of light with metallic nanostructures is increasingly attracting interest because of numerous potential applications. Sub-wavelength metallic structures, when illuminated with a frequency close to the plasma frequency of the metal, present resonances that cause extreme local field enhancements. Exploiting the latter in applications of interest requires a detailed knowledge about the occurring fields which can actually not be obtained analytically. For the latter mentioned reason, numerical tools are thus an absolute necessity. The insight they provide is very often the only way to get a deep enough understanding of the very rich physics at play. For the numericalmore » modeling of light-structure interaction on the nanoscale, the choice of an appropriate material model is a crucial point. Approaches that are adopted in a first instance are based on local (i.e. with no interaction between electrons) dispersive models, e.g. Drude or Drude–Lorentz models. From the mathematical point of view, when a time-domain modeling is considered, these models lead to an additional system of ordinary differential equations coupled to Maxwell's equations. However, recent experiments have shown that the repulsive interaction between electrons inside the metal makes the response of metals intrinsically non-local and that this effect cannot generally be overlooked. Technological achievements have enabled the consideration of metallic structures in a regime where such non-localities have a significant influence on the structures' optical response. This leads to an additional, in general non-linear, system of partial differential equations which is, when coupled to Maxwell's equations, significantly more difficult to treat. Nevertheless, dealing with a linearized non-local dispersion model already opens the route to numerous practical applications of plasmonics. In this work, we present a Discontinuous Galerkin Time-Domain (DGTD) method able to solve the system of Maxwell's equations coupled to a linearized non-local dispersion model relevant to plasmonics. While the method is presented in the general 3D case, numerical results are given for 2D simulation settings.« less

Scalable PGAS Metadata Management on Extreme Scale Systems

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chavarría-Miranda, Daniel; Agarwal, Khushbu; Straatsma, TP

Programming models intended to run on exascale systems have a number of challenges to overcome, specially the sheer size of the system as measured by the number of concurrent software entities created and managed by the underlying runtime. It is clear from the size of these systems that any state maintained by the programming model has to be strictly sub-linear in size, in order not to overwhelm memory usage with pure overhead. A principal feature of Partitioned Global Address Space (PGAS) models is providing easy access to global-view distributed data structures. In order to provide efficient access to these distributedmore » data structures, PGAS models must keep track of metadata such as where array sections are located with respect to processes/threads running on the HPC system. As PGAS models and applications become ubiquitous on very large transpetascale systems, a key component to their performance and scalability will be efficient and judicious use of memory for model overhead (metadata) compared to application data. We present an evaluation of several strategies to manage PGAS metadata that exhibit different space/time tradeoffs. We use two real-world PGAS applications to capture metadata usage patterns and gain insight into their communication behavior.« less

Fifteenth NASTRAN (R) Users' Colloquium

NASA Technical Reports Server (NTRS)

1987-01-01

Numerous applications of the NASA Structural Analysis (NASTRAN) computer program, a general purpose finite element code, are discussed. Additional features that can be added to NASTRAN, interactive plotting of NASTRAN data on microcomputers, mass modeling for bars, the design of wind tunnel models, the analysis of ship structures subjected to underwater explosions, and buckling analysis of radio antennas are among the topics discussed.

Structural Equation Modeling in Language Testing and Learning Research: A Review

ERIC Educational Resources Information Center

In'nami, Yo; Koizumi, Rie

2011-01-01

Despite the recent increase of structural equation modeling (SEM) in language testing and learning research and Kunnan's (1998) call for the proper use of SEM to produce useful findings, there seem to be no reviews about how SEM is applied in these areas or about the extent to which the current application accords with appropriate practices. To…

Detection of Q-Matrix Misspecification Using Two Criteria for Validation of Cognitive Structures under the Least Squares Distance Model

ERIC Educational Resources Information Center

Romero, Sonia J.; Ordoñez, Xavier G.; Ponsoda, Vincente; Revuelta, Javier

2014-01-01

Cognitive Diagnostic Models (CDMs) aim to provide information about the degree to which individuals have mastered specific attributes that underlie the success of these individuals on test items. The Q-matrix is a key element in the application of CDMs, because contains links item-attributes representing the cognitive structure proposed for solve…

Thermomechanical Modeling of Shape Memory Alloys and Applications

NASA Astrophysics Data System (ADS)

Lexcellent, C.; Leclercq, S.

The aim of the present paper is a general macroscopic description of the thermomechanical behavior of shape memory alloys (SMA). We use for framework the thermodynamics of irreversible processes. This model is efficient for describing the behavior of "smart" structures as a bronchial, a tentacle element and an prosthesis hybrid structure made of Ti Ni SMA wires embedded in a resin epoxy matrix.

Infrared spectroscopic ellipsometry in semiconductor manufacturing

NASA Astrophysics Data System (ADS)

Guittet, Pierre-Yves; Mantz, Ulrich; Weidner, Peter; Stehle, Jean-Louis; Bucchia, Marc; Bourtault, Sophie; Zahorski, Dorian

2004-05-01

Infrared spectroscopic ellipsometry (IRSE) metrology is an emerging technology in semiconductor production environment. Infineon Technologies SC300 implemented the first worldwide automated IRSE in a class 1 clean room in 2002. Combining properties of IR light -- large wavelength, low absorption in silicon -- with a short focus optics -- no backside reflection -- which allow model-based analysis, a large number of production applications were developed. Part of Infineon IRSE development roadmap is now focused on depth monitoring for arrays of 3D dry-etched structures. In trench DRAM manufacturing, the areal density is high, and critical dimensions are much lower than mid-IR wavelength. Therefore, extensive use of effective medium theory is made to model 3D structures. IR-SE metrology is not limited by shrinking critical dimensions, as long as the areal density is above a specific cut-off value determined by trenches dimensions, trench-filling and surrounding materials. Two applications for depth monitoring are presented. 1D models were developed and successfully applied to the DRAM trench capacitor structures. Modeling and correlation to reference methods are shown as well as dynamic repeatability and gauge capability results. Limitations of the current tool configuration are reviewed for shallow structures.

The application of artificial intelligence in the optimal design of mechanical systems

NASA Astrophysics Data System (ADS)

Poteralski, A.; Szczepanik, M.

2016-11-01

The paper is devoted to new computational techniques in mechanical optimization where one tries to study, model, analyze and optimize very complex phenomena, for which more precise scientific tools of the past were incapable of giving low cost and complete solution. Soft computing methods differ from conventional (hard) computing in that, unlike hard computing, they are tolerant of imprecision, uncertainty, partial truth and approximation. The paper deals with an application of the bio-inspired methods, like the evolutionary algorithms (EA), the artificial immune systems (AIS) and the particle swarm optimizers (PSO) to optimization problems. Structures considered in this work are analyzed by the finite element method (FEM), the boundary element method (BEM) and by the method of fundamental solutions (MFS). The bio-inspired methods are applied to optimize shape, topology and material properties of 2D, 3D and coupled 2D/3D structures, to optimize the termomechanical structures, to optimize parameters of composites structures modeled by the FEM, to optimize the elastic vibrating systems to identify the material constants for piezoelectric materials modeled by the BEM and to identify parameters in acoustics problem modeled by the MFS.

Application of identification techniques to remote manipulator system flight data

NASA Technical Reports Server (NTRS)

Shepard, G. D.; Lepanto, J. A.; Metzinger, R. W.; Fogel, E.

1983-01-01

This paper addresses the application of identification techniques to flight data from the Space Shuttle Remote Manipulator System (RMS). A description of the remote manipulator, including structural and control system characteristics, sensors, and actuators is given. A brief overview of system identification procedures is presented, and the practical aspects of implementing system identification algorithms are discussed. In particular, the problems posed by desampling rate, numerical error, and system nonlinearities are considered. Simulation predictions of damping, frequency, and system order are compared with values identified from flight data to support an evaluation of RMS structural and control system models. Finally, conclusions are drawn regarding the application of identification techniques to flight data obtained from a flexible space structure.

Structural properties of thiophenes investigated with simulations of a coarse-grained model

NASA Astrophysics Data System (ADS)

Luettmer-Strathmann, Jutta; Almutairi, Amani

Thiophenes have important applications in organic electronics, energy conversion, and storage. The interfacial layer of an organic semiconductor in contact with a metal electrode has important effects on the performance of thin-film devices. However, the structure of this layer is not easy to model. In recent work, we developed a coarse-grained model for alpha-oligothiophenes in the bulk and near gold surfaces. We describe the molecules as linear chains of bonded, discotic particles with Gay-Berne potential interactions between non-bonded ellipsoids. In this work, we investigate structural properties of thiophenes with simulations of our coarse-grained model.

Silk fibroin nanostructured materials for biomedical applications

NASA Astrophysics Data System (ADS)

Mitropoulos, Alexander N.

Nanostructured biopolymers have proven to be promising to develop novel biomedical applications where forming structures at the nanoscale normally occurs by self-assembly. However, synthesizing these structures can also occur by inducing materials to transition into other forms by adding chemical cross-linkers, changing pH, or changing ionic composition. Understanding the generation of nanostructures in fluid environments, such as liquid organic solvents or supercritical fluids, has not been thoroughly examined, particularly those that are based on protein-based block-copolymers. Here, we examine the transformation of reconstituted silk fibroin, which has emerged as a promising biopolymer due to its biocompatibility, biodegradability, and ease of functionalization, into submicron spheres and gel networks which offer applications in tissue engineering and advanced sensors. Two types of gel networks, hydrogels and aerogels, have small pores and large surface areas that are defined by their structure. We design and analyze silk nanoparticle formation using a microfluidic device while offering an application for drug delivery. Additionally, we provide a model and characterize hydrogel formation from micelles to nanoparticles, while investigating cellular response to the hydrogel in an in vitro cell culture model. Lastly, we provide a second model of nanofiber formation during near-critical and supercritical drying and characterize the silk fibroin properties at different drying pressures which, when acting as a stabilizing matrix, shows to improve the activity of entrapped enzymes dried at different pressures. This work has created new nanostructured silk fibroin forms to benefit biomedical applications that could be applied to other fibrous proteins.

LTE modeling of inhomogeneous chromospheric structure using high-resolution limb observations

NASA Technical Reports Server (NTRS)

Lindsey, C.

1987-01-01

The paper discusses considerations relevant to LTE modeling of rough atmospheres. Particular attention is given to the application of recent high-resolution observations of the solar limb in the far-infrared and radio continuum to the modeling of chromospheric spicules. It is explained how the continuum limb observations can be combined with morphological knowledge of spicule structure to model the physical conditions in chromospheric spicules. This discussion forms the basis for a chromospheric model presented in a parallel publication based on observations ranging from 100 microns to 2.6 mm.

SSME structural dynamic model development

NASA Technical Reports Server (NTRS)

Foley, M. J.; Tilley, D. M.; Welch, C. T.

1983-01-01

A mathematical model of the Space Shuttle Main Engine (SSME) as a complete assembly, with detailed emphasis on LOX and High Fuel Turbopumps is developed. The advantages of both complete engine dynamics, and high fidelity modeling are incorporated. Development of this model, some results, and projected applications are discussed.

Graphene: Nanostructure engineering and applications

NASA Astrophysics Data System (ADS)

Zhang, Tingting; Wu, Shuang; Yang, Rong; Zhang, Guangyu

2017-02-01

Graphene has attracted extensive research interest in recent years because of its fascinating physical properties and its potential for various applications. The band structure or electronic properties of graphene are very sensitive to its geometry, size, and edge structures, especially when the size of graphene is below the quantum confinement limit. Graphene nanoribbons (GNRs) can be used as a model system to investigate such structure-sensitive parameters. In this review, we examine the fabrication of GNRs via both top-down and bottom-up approaches. The edge-related electronic and transport properties of GNRs are also discussed.

[The relationship between the structuralism of Levi-Strauss and linguistic methods. An attempt at applying structuralist phonologic models to the study of pathologic language].

PubMed

Lhote, E

1975-01-01

The structuralism which is generally accepted as a 'good French' school of thinking, presents in some of its applications the short-time character of fashion in such a way that one often forgets what this philosophy implicates. In this essay, the author intends to show that even though a structural method really exists, one cannot say who exactly is 'the father' of structuralism. But during the long maturity period of thought that resulted in structuralism, one important step has been made in France by Lévi-Strauss who has been using a great number of linguistic concepts, and at the same time has contributed to the consequent progress realized in that discipline. In the light of linguistics and of the works made by Lévi-Strauss some notions are redefined: those of structure, those of oppositions in the systems, those of relations inside one system, and the interactions between 'significant' and 'signifié'. Born from recent research in mathematics and cybernetics, the notion of Model, very fertile in linguistics, is an important element in the Lévi-Strauss structural methodology. With the help of examples taken from phonetics and phonology, the author intends to show how to elaborate a model, of what nature are the links between the observed object and the model, and what can be the applications of that method in the study of pathological languages; the author also intends to show that the main interest in a model of structural type is its explicative and previsional quality. A critical study of the structural analysis makes it possible to show the real contribution of structuralism: the author presents new ways that have been revealed by structuralism and some developments later on favorized by this discipline, mainly in linguistics. Remark. In this study of structuralism, the author places herself on the level with 'method' and not with 'philosophy'.

Low temperature ablation models made by pressure/vacuum application

NASA Technical Reports Server (NTRS)

Fischer, M. C.; Heier, W. C.

1970-01-01

Method developed employs high pressure combined with strong vacuum force to compact ablation models into desired conical shape. Technique eliminates vapor hazard and results in high material density providing excellent structural integrity.

Structural models of inorganic fullerene-like structures

NASA Astrophysics Data System (ADS)

Ascencio, J. A.; Perez-Alvarez, M.; Molina, L. M.; Santiago, P.; José-Yacaman, M.

2003-03-01

In the study of fullerene-like structures, some of the more interesting systems are the inorganic cages, made of MoS 2 (usually named inorganic fullerenes), which have many important potential applications as lubricant and catalysts. In the present work, we report calculations for structural models of closed cage of inorganic fullerene-like structures for MoS 2 system. Three cage shapes were found to be the most stable: triangular pyramid, octahedron and dodecahedron. High resolution TEM images of MoS 2 cages structures were calculated to be compared with experimental data. Some examples of triangular pyramid and polyhedron in experimental MoS 2 samples are presented.

Optimal study design with identical power: an application of power equivalence to latent growth curve models.

PubMed

von Oertzen, Timo; Brandmaier, Andreas M

2013-06-01

Structural equation models have become a broadly applied data-analytic framework. Among them, latent growth curve models have become a standard method in longitudinal research. However, researchers often rely solely on rules of thumb about statistical power in their study designs. The theory of power equivalence provides an analytical answer to the question of how design factors, for example, the number of observed indicators and the number of time points assessed in repeated measures, trade off against each other while holding the power for likelihood-ratio tests on the latent structure constant. In this article, we present applications of power-equivalent transformations on a model with data from a previously published study on cognitive aging, and highlight consequences of participant attrition on power. PsycINFO Database Record (c) 2013 APA, all rights reserved.

Uncertainty quantification and propagation in dynamic models using ambient vibration measurements, application to a 10-story building

NASA Astrophysics Data System (ADS)

Behmanesh, Iman; Yousefianmoghadam, Seyedsina; Nozari, Amin; Moaveni, Babak; Stavridis, Andreas

2018-07-01

This paper investigates the application of Hierarchical Bayesian model updating for uncertainty quantification and response prediction of civil structures. In this updating framework, structural parameters of an initial finite element (FE) model (e.g., stiffness or mass) are calibrated by minimizing error functions between the identified modal parameters and the corresponding parameters of the model. These error functions are assumed to have Gaussian probability distributions with unknown parameters to be determined. The estimated parameters of error functions represent the uncertainty of the calibrated model in predicting building's response (modal parameters here). The focus of this paper is to answer whether the quantified model uncertainties using dynamic measurement at building's reference/calibration state can be used to improve the model prediction accuracies at a different structural state, e.g., damaged structure. Also, the effects of prediction error bias on the uncertainty of the predicted values is studied. The test structure considered here is a ten-story concrete building located in Utica, NY. The modal parameters of the building at its reference state are identified from ambient vibration data and used to calibrate parameters of the initial FE model as well as the error functions. Before demolishing the building, six of its exterior walls were removed and ambient vibration measurements were also collected from the structure after the wall removal. These data are not used to calibrate the model; they are only used to assess the predicted results. The model updating framework proposed in this paper is applied to estimate the modal parameters of the building at its reference state as well as two damaged states: moderate damage (removal of four walls) and severe damage (removal of six walls). Good agreement is observed between the model-predicted modal parameters and those identified from vibration tests. Moreover, it is shown that including prediction error bias in the updating process instead of commonly-used zero-mean error function can significantly reduce the prediction uncertainties.

Regression Models For Multivariate Count Data

PubMed Central

Zhang, Yiwen; Zhou, Hua; Zhou, Jin; Sun, Wei

2016-01-01

Data with multivariate count responses frequently occur in modern applications. The commonly used multinomial-logit model is limiting due to its restrictive mean-variance structure. For instance, analyzing count data from the recent RNA-seq technology by the multinomial-logit model leads to serious errors in hypothesis testing. The ubiquity of over-dispersion and complicated correlation structures among multivariate counts calls for more flexible regression models. In this article, we study some generalized linear models that incorporate various correlation structures among the counts. Current literature lacks a treatment of these models, partly due to the fact that they do not belong to the natural exponential family. We study the estimation, testing, and variable selection for these models in a unifying framework. The regression models are compared on both synthetic and real RNA-seq data. PMID:28348500

Regression Models For Multivariate Count Data.

PubMed

Zhang, Yiwen; Zhou, Hua; Zhou, Jin; Sun, Wei

2017-01-01

Data with multivariate count responses frequently occur in modern applications. The commonly used multinomial-logit model is limiting due to its restrictive mean-variance structure. For instance, analyzing count data from the recent RNA-seq technology by the multinomial-logit model leads to serious errors in hypothesis testing. The ubiquity of over-dispersion and complicated correlation structures among multivariate counts calls for more flexible regression models. In this article, we study some generalized linear models that incorporate various correlation structures among the counts. Current literature lacks a treatment of these models, partly due to the fact that they do not belong to the natural exponential family. We study the estimation, testing, and variable selection for these models in a unifying framework. The regression models are compared on both synthetic and real RNA-seq data.

Defining a Technical Basis for Comparing and Contrasting Emerging Dynamic Discovery Protocols

DTIC Science & Technology

2001-05-02

UPnP, SLP, Bluetooth , and HAVi • Projected specific UML models for Jini, UPnP, and SLP • Completed a Rapide Model of Jini structure, function, and...narrow application focus but targeting a different application domain. (e.g., HAVi, Salutation Consortium, and Bluetooth Service Discovery) • Sun has...Our General Approach? 1/31/2002 7 Particulars of Our Approach Define a Generic UML Model that Encompasses Jini, UPnP, SLP, HAVi, and Bluetooth

Accurate force field for molybdenum by machine learning large materials data

NASA Astrophysics Data System (ADS)

Chen, Chi; Deng, Zhi; Tran, Richard; Tang, Hanmei; Chu, Iek-Heng; Ong, Shyue Ping

2017-09-01

In this work, we present a highly accurate spectral neighbor analysis potential (SNAP) model for molybdenum (Mo) developed through the rigorous application of machine learning techniques on large materials data sets. Despite Mo's importance as a structural metal, existing force fields for Mo based on the embedded atom and modified embedded atom methods do not provide satisfactory accuracy on many properties. We will show that by fitting to the energies, forces, and stress tensors of a large density functional theory (DFT)-computed dataset on a diverse set of Mo structures, a Mo SNAP model can be developed that achieves close to DFT accuracy in the prediction of a broad range of properties, including elastic constants, melting point, phonon spectra, surface energies, grain boundary energies, etc. We will outline a systematic model development process, which includes a rigorous approach to structural selection based on principal component analysis, as well as a differential evolution algorithm for optimizing the hyperparameters in the model fitting so that both the model error and the property prediction error can be simultaneously lowered. We expect that this newly developed Mo SNAP model will find broad applications in large and long-time scale simulations.

Bim Automation: Advanced Modeling Generative Process for Complex Structures

NASA Astrophysics Data System (ADS)

Banfi, F.; Fai, S.; Brumana, R.

2017-08-01

The new paradigm of the complexity of modern and historic structures, which are characterised by complex forms, morphological and typological variables, is one of the greatest challenges for building information modelling (BIM). Generation of complex parametric models needs new scientific knowledge concerning new digital technologies. These elements are helpful to store a vast quantity of information during the life cycle of buildings (LCB). The latest developments of parametric applications do not provide advanced tools, resulting in time-consuming work for the generation of models. This paper presents a method capable of processing and creating complex parametric Building Information Models (BIM) with Non-Uniform to NURBS) with multiple levels of details (Mixed and ReverseLoD) based on accurate 3D photogrammetric and laser scanning surveys. Complex 3D elements are converted into parametric BIM software and finite element applications (BIM to FEA) using specific exchange formats and new modelling tools. The proposed approach has been applied to different case studies: the BIM of modern structure for the courtyard of West Block on Parliament Hill in Ottawa (Ontario) and the BIM of Masegra Castel in Sondrio (Italy), encouraging the dissemination and interaction of scientific results without losing information during the generative process.

Information Interaction Study for DER and DMS Interoperability

NASA Astrophysics Data System (ADS)

Liu, Haitao; Lu, Yiming; Lv, Guangxian; Liu, Peng; Chen, Yu; Zhang, Xinhui

The Common Information Model (CIM) is an abstract data model that can be used to represent the major objects in Distribution Management System (DMS) applications. Because the Common Information Model (CIM) doesn't modeling the Distributed Energy Resources (DERs), it can't meet the requirements of DER operation and management for Distribution Management System (DMS) advanced applications. Modeling of DER were studied based on a system point of view, the article initially proposed a CIM extended information model. By analysis the basic structure of the message interaction between DMS and DER, a bidirectional messaging mapping method based on data exchange was proposed.

Equilibrium Tuition, Applications, Admissions and Enrollment in the College Market

ERIC Educational Resources Information Center

Fu, Chao

2010-01-01

I develop and structurally estimate an equilibrium model of the college market. Students, who are heterogeneous in both abilities and preferences, make college application decisions, subject to uncertainty and application costs. Colleges observe only noisy measures of student ability and set up tuition and admissions policies to compete for more…

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

PubMed

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.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Los Alamos National Laboratory, Mailstop M888, Los Alamos, NM 87545, USA; Lawrence Berkeley National Laboratory, One Cyclotron Road, Building 64R0121, Berkeley, CA 94720, USA; Department of Haematology, University of Cambridge, Cambridge CB2 0XY, England

The PHENIX AutoBuild Wizard is a highly automated tool for iterative model-building, structure refinement and density modification using RESOLVE or TEXTAL model-building, RESOLVE statistical density modification, and phenix.refine structure refinement. Recent advances in the AutoBuild Wizard and phenix.refine include automated detection and application of NCS from models as they are built, extensive model completion algorithms, and automated solvent molecule picking. Model completion algorithms in the AutoBuild Wizard include loop-building, crossovers between chains in different models of a structure, and side-chain optimization. The AutoBuild Wizard has been applied to a set of 48 structures at resolutions ranging from 1.1 {angstrom} tomore » 3.2 {angstrom}, resulting in a mean R-factor of 0.24 and a mean free R factor of 0.29. The R-factor of the final model is dependent on the quality of the starting electron density, and relatively independent of resolution.« less

[Disposable nursing applicator-pocket of indwelling central venous catheter].

PubMed

Wei, Congli; Ma, Chunyuan

2017-11-01

Catheter related infection is the most common complication of central venous catheter, which pathogen mainly originate from the pipe joint and the skin around puncture site. How to prevent catheter infection is an important issue in clinical nursing. The utility model disclosed a "disposable nursing applicator-pocket of indwelling central venous catheter", which is mainly used for the fixation and the protection. The main structure consists of two parts, one is medical applicator to protect the skin around puncture site, and the other is gauze pocket to protect the catheter external connector. When in use, the catheter connector is fitted into the pocket, and then the applicator is applied to cover the puncture point of the skin. Integrated design of medical applicator and gauze pocket was designed to realize double functions of fixation and protection. The disposable nursing applicator-pocket is made of medical absorbent gauze (outer layer) and non-woven fabric (inner layer), which has the characteristics of comfortable, breathable, dust filtered, bacteria filtered, waterproof, antiperspirant and anti-pollution. The utility model has the advantages of simple structure, low cost, simple operation, effective protection, easy realization and popularization.

Application and enhancements of MOVIE.BYU

NASA Technical Reports Server (NTRS)

Gates, R. L.; Vonofenheim, W. H.

1984-01-01

MOVIE.BYU (MOVIE.BRIGHAM YOUNG UNIVERSITY) is a system of programs for the display and manipulation of data representing mathematical, architectural, and topological models in which the geometry may be described in terms of panel (n-sided polygons) and solid elements or contour lines. The MOVIE.BYU system has been used in a series of applications of LaRC. One application has been the display, creation, and manipulation of finite element models in aeronautic/aerospace research. These models have been displayed on both vector and color raster devices, and the user has the option to modify color and shading parameters on these color raster devices. Another application involves the display of scalar functions (temperature, pressure, etc.) over the surface of a given model. This capability gives the researcher added flexibility in the analysis of the model and its accompanying data. Limited animation (frame-by-frame creation) has been another application of MOVIE.BYU in the modeling of kinematic processes in antenna structures.

Rate dependent constitutive behavior of dielectric elastomers and applications in legged robotics

NASA Astrophysics Data System (ADS)

Oates, William; Miles, Paul; Gao, Wei; Clark, Jonathan; Mashayekhi, Somayeh; Hussaini, M. Yousuff

2017-04-01

Dielectric elastomers exhibit novel electromechanical coupling that has been exploited in many adaptive structure applications. Whereas the quasi-static, one-dimensional constitutive behavior can often be accurately quantified by hyperelastic functions and linear dielectric relations, accurate predictions of electromechanical, rate-dependent deformation during multiaxial loading is non-trivial. In this paper, an overview of multiaxial electromechanical membrane finite element modeling is formulated. Viscoelastic constitutive relations are extended to include fractional order. It is shown that fractional order viscoelastic constitutive relations are superior to conventional integer order models. This knowledge is critical for transition to control of legged robotic structures that exhibit advanced mobility.

Modelling of high-frequency structure-borne sound transmission on FEM grids using the Discrete Flow Mapping technique

NASA Astrophysics Data System (ADS)

Hartmann, Timo; Tanner, Gregor; Xie, Gang; Chappell, David; Bajars, Janis

2016-09-01

Dynamical Energy Analysis (DEA) combined with the Discrete Flow Mapping technique (DFM) has recently been introduced as a mesh-based high frequency method modelling structure borne sound for complex built-up structures. This has proven to enhance vibro-acoustic simulations considerably by making it possible to work directly on existing finite element meshes circumventing time-consuming and costly re-modelling strategies. In addition, DFM provides detailed spatial information about the vibrational energy distribution within a complex structure in the mid-to-high frequency range. We will present here progress in the development of the DEA method towards handling complex FEM-meshes including Rigid Body Elements. In addition, structure borne transmission paths due to spot welds are considered. We will present applications for a car floor structure.

Identification of time-varying structural dynamic systems - An artificial intelligence approach

NASA Technical Reports Server (NTRS)

Glass, B. J.; Hanagud, S.

1992-01-01

An application of the artificial intelligence-derived methodologies of heuristic search and object-oriented programming to the problem of identifying the form of the model and the associated parameters of a time-varying structural dynamic system is presented in this paper. Possible model variations due to changes in boundary conditions or configurations of a structure are organized into a taxonomy of models, and a variant of best-first search is used to identify the model whose simulated response best matches that of the current physical structure. Simulated model responses are verified experimentally. An output-error approach is used in a discontinuous model space, and an equation-error approach is used in the parameter space. The advantages of the AI methods used, compared with conventional programming techniques for implementing knowledge structuring and inheritance, are discussed. Convergence conditions and example problems have been discussed. In the example problem, both the time-varying model and its new parameters have been identified when changes occur.

A preliminary structural analysis of space-based inflatable tubular frame structures

NASA Technical Reports Server (NTRS)

Main, John A.; Peterson, Steven W.; Strauss, Alvin M.

1992-01-01

The use of inflatable structures has often been proposed for aerospace and planetary applications. The advantages of such structures include low launch weight and easy assembly. The use of inflatables for applications requiring very large frame structures intended for aerospace use are proposed. In order to consider using an inflated truss, the structural behavior of the inflated frame must be examined. The statics of inflated tubes as beams was discussed in the literature, but the dynamics of these elements has not received much attention. In an effort to evaluate the vibration characteristics of the inflated beam a series of free vibration tests of an inflated fabric cantilevers were performed. Results of the tests are presented and models for system behavior posed.

Finite Rotation Analysis of Highly Thin and Flexible Structures

NASA Technical Reports Server (NTRS)

Clarke, Greg V.; Lee, Keejoo; Lee, Sung W.; Broduer, Stephen J. (Technical Monitor)

2001-01-01

Deployable space structures such as sunshields and solar sails are extremely thin and highly flexible with limited bending rigidity. For analytical investigation of their responses during deployment and operation in space, these structures can be modeled as thin shells. The present work examines the applicability of the solid shell element formulation to modeling of deployable space structures. The solid shell element formulation that models a shell as a three-dimensional solid is convenient in that no rotational parameters are needed for the description of kinematics of deformation. However, shell elements may suffer from element locking as the thickness becomes smaller unless special care is taken. It is shown that, when combined with the assumed strain formulation, the solid shell element formulation results in finite element models that are free of locking even for extremely thin structures. Accordingly, they can be used for analysis of highly flexible space structures undergoing geometrically nonlinear finite rotations.

Structural modeling for multicell composite rotor blades

NASA Technical Reports Server (NTRS)

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.

Numerical damage models using a structural approach: application in bones and ligaments

NASA Astrophysics Data System (ADS)

Arnoux, P. J.; Bonnoit, J.; Chabrand, P.; Jean, M.; Pithioux, M.

2002-01-01

The purpose of the present study was to apply knowledge of structural properties to perform numerical simulations with models of bones and knee ligaments exposed to dynamic tensile loading leading to tissue damage. Compact bones and knee ligaments exhibit the same geometrical pattern in their different levels of structural hierarchy from the tropocollagen molecule to the fibre. Nevertheless, their mechanical behaviours differ considerably at the fibril level. These differences are due to the contribution of the joints in the microfibril-fibril-fibre assembly and to the mechanical properties of the structural components. Two finite element models of the fibrous bone and ligament structure were used to describe damage in terms of elastoplastic laws or joint decohesion processes.

Multiple co-clustering based on nonparametric mixture models with heterogeneous marginal distributions

PubMed Central

Yoshimoto, Junichiro; Shimizu, Yu; Okada, Go; Takamura, Masahiro; Okamoto, Yasumasa; Yamawaki, Shigeto; Doya, Kenji

2017-01-01

We propose a novel method for multiple clustering, which is useful for analysis of high-dimensional data containing heterogeneous types of features. Our method is based on nonparametric Bayesian mixture models in which features are automatically partitioned (into views) for each clustering solution. This feature partition works as feature selection for a particular clustering solution, which screens out irrelevant features. To make our method applicable to high-dimensional data, a co-clustering structure is newly introduced for each view. Further, the outstanding novelty of our method is that we simultaneously model different distribution families, such as Gaussian, Poisson, and multinomial distributions in each cluster block, which widens areas of application to real data. We apply the proposed method to synthetic and real data, and show that our method outperforms other multiple clustering methods both in recovering true cluster structures and in computation time. Finally, we apply our method to a depression dataset with no true cluster structure available, from which useful inferences are drawn about possible clustering structures of the data. PMID:29049392

Zero-Sum Matrix Game with Payoffs of Dempster-Shafer Belief Structures and Its Applications on Sensors

PubMed Central

Deng, Xinyang; Jiang, Wen; Zhang, Jiandong

2017-01-01

The zero-sum matrix game is one of the most classic game models, and it is widely used in many scientific and engineering fields. In the real world, due to the complexity of the decision-making environment, sometimes the payoffs received by players may be inexact or uncertain, which requires that the model of matrix games has the ability to represent and deal with imprecise payoffs. To meet such a requirement, this paper develops a zero-sum matrix game model with Dempster–Shafer belief structure payoffs, which effectively represents the ambiguity involved in payoffs of a game. Then, a decomposition method is proposed to calculate the value of such a game, which is also expressed with belief structures. Moreover, for the possible computation-intensive issue in the proposed decomposition method, as an alternative solution, a Monte Carlo simulation approach is presented, as well. Finally, the proposed zero-sum matrix games with payoffs of Dempster–Shafer belief structures is illustratively applied to the sensor selection and intrusion detection of sensor networks, which shows its effectiveness and application process. PMID:28430156

Efficient Exact Inference With Loss Augmented Objective in Structured Learning.

PubMed

Bauer, Alexander; Nakajima, Shinichi; Muller, Klaus-Robert

2016-08-19

Structural support vector machine (SVM) is an elegant approach for building complex and accurate models with structured outputs. However, its applicability relies on the availability of efficient inference algorithms--the state-of-the-art training algorithms repeatedly perform inference to compute a subgradient or to find the most violating configuration. In this paper, we propose an exact inference algorithm for maximizing nondecomposable objectives due to special type of a high-order potential having a decomposable internal structure. As an important application, our method covers the loss augmented inference, which enables the slack and margin scaling formulations of structural SVM with a variety of dissimilarity measures, e.g., Hamming loss, precision and recall, Fβ-loss, intersection over union, and many other functions that can be efficiently computed from the contingency table. We demonstrate the advantages of our approach in natural language parsing and sequence segmentation applications.

Structure Computation of Quiet Spike[Trademark] Flight-Test Data During Envelope Expansion

NASA Technical Reports Server (NTRS)

Kukreja, Sunil L.

2008-01-01

System identification or mathematical modeling is used in the aerospace community for development of simulation models for robust control law design. These models are often described as linear time-invariant processes. Nevertheless, it is well known that the underlying process is often nonlinear. The reason for using a linear approach has been due to the lack of a proper set of tools for the identification of nonlinear systems. Over the past several decades, the controls and biomedical communities have made great advances in developing tools for the identification of nonlinear systems. These approaches are robust and readily applicable to aerospace systems. In this paper, we show the application of one such nonlinear system identification technique, structure detection, for the analysis of F-15B Quiet Spike(TradeMark) aeroservoelastic flight-test data. Structure detection is concerned with the selection of a subset of candidate terms that best describe the observed output. This is a necessary procedure to compute an efficient system description that may afford greater insight into the functionality of the system or a simpler controller design. Structure computation as a tool for black-box modeling may be of critical importance for the development of robust parsimonious models for the flight-test community. Moreover, this approach may lead to efficient strategies for rapid envelope expansion, which may save significant development time and costs. The objectives of this study are to demonstrate via analysis of F-15B Quiet Spike aeroservoelastic flight-test data for several flight conditions that 1) linear models are inefficient for modeling aeroservoelastic data, 2) nonlinear identification provides a parsimonious model description while providing a high percent fit for cross-validated data, and 3) the model structure and parameters vary as the flight condition is altered.

A Model for Analyzing Disability Policy

ERIC Educational Resources Information Center

Turnbull, Rud; Stowe, Matthew J.

2017-01-01

This article describes a 12-step model that can be used for policy analysis. The model encompasses policy development, implementation, and evaluation; takes into account structural foundations of policy; addresses both legal formalism and legal realism; demonstrates contextual sensitivity; and addresses application issues and different…

The review on tessellation origami inspired folded structure

NASA Astrophysics Data System (ADS)

Chu, Chai Chen; Keong, Choong Kok

2017-10-01

Existence of folds enhances the load carrying capacity of a folded structure which makes it suitable to be used for application where large open space is required such as large span roof structures and façade. Folded structure is closely related to origami especially the tessellation origami. Tessellation origami provides a folded configuration with facetted surface as a result from repeated folding pattern. Besides that, tessellation origami has flexible folding mechanism that produced a variety of 3-dimensional folded configurations. Despite the direct relationship between fold in origami and folded structure, the idea of origami inspired folded structure is not properly reviewed in the relevant engineering field. Hence, this paper aims to present the current studies from related discipline which has direct relation with application of tessellation origami in folded structure. First, tessellation origami is properly introduced and defined. Then, the review covers the topic on the origami tessellation design suitable for folded structure, its modeling and simulation method, and existing studies and applications of origami as folded structure is presented. The paper also includes the discussion on the current issues related to each topic.

Experimental application of OMA solutions on the model of industrial structure

NASA Astrophysics Data System (ADS)

Mironov, A.; Mironovs, D.

2017-10-01

It is very important and sometimes even vital to maintain reliability of industrial structures. High quality control during production and structural health monitoring (SHM) in exploitation provides reliable functioning of large, massive and remote structures, like wind generators, pipelines, power line posts, etc. This paper introduces a complex of technological and methodical solutions for SHM and diagnostics of industrial structures, including those that are actuated by periodic forces. Solutions were verified on a wind generator scaled model with integrated system of piezo-film deformation sensors. Simultaneous and multi-patch Operational Modal Analysis (OMA) approaches were implemented as methodical means for structural diagnostics and monitoring. Specially designed data processing algorithms provide objective evaluation of structural state modification.

Fluid-structure interaction with the entropic lattice Boltzmann method

NASA Astrophysics Data System (ADS)

Dorschner, B.; Chikatamarla, S. S.; Karlin, I. V.

2018-02-01

We propose a fluid-structure interaction (FSI) scheme using the entropic multi-relaxation time lattice Boltzmann (KBC) model for the fluid domain in combination with a nonlinear finite element solver for the structural part. We show the validity of the proposed scheme for various challenging setups by comparison to literature data. Beyond validation, we extend the KBC model to multiphase flows and couple it with a finite element method (FEM) solver. Robustness and viability of the entropic multi-relaxation time model for complex FSI applications is shown by simulations of droplet impact on elastic superhydrophobic surfaces.

An optimum organizational structure for a large earth-orbiting multidisciplinary space base. Ph.D. Thesis - Fla. State Univ., 1973

NASA Technical Reports Server (NTRS)

Ragusa, J. M.

1975-01-01

An optimum hypothetical organizational structure was studied for a large earth-orbiting, multidisciplinary research and applications space base manned by a crew of technologists. Because such a facility does not presently exist, in situ empirical testing was not possible. Study activity was, therefore, concerned with the identification of a desired organizational structural model rather than with the empirical testing of the model. The essential finding of this research was that a four-level project type total matrix model will optimize the efficiency and effectiveness of space base technologists.

Confidence Intervals for a Semiparametric Approach to Modeling Nonlinear Relations among Latent Variables

ERIC Educational Resources Information Center

Pek, Jolynn; Losardo, Diane; Bauer, Daniel J.

2011-01-01

Compared to parametric models, nonparametric and semiparametric approaches to modeling nonlinearity between latent variables have the advantage of recovering global relationships of unknown functional form. Bauer (2005) proposed an indirect application of finite mixtures of structural equation models where latent components are estimated in the…

Forecasting Pell Program Applications Using Structural Aggregate Models.

ERIC Educational Resources Information Center

Cavin, Edward S.

1995-01-01

Demand for Pell Grant financial aid has become difficult to predict when using the current microsimulation model. This paper proposes an alternative model that uses aggregate data (based on individuals' microlevel decisions and macrodata on family incomes, college costs, and opportunity wages) and avoids some limitations of simple linear models.…

Modeling Syntax for Parsing and Translation

DTIC Science & Technology

2003-12-15

20 CHAPTER 2. MONOLINGUAL PROBABILISTIC PARSING a the D cat snake D S O chased S O ran SS Mary O Figure 2.1: Part of a dictionary . the cat S chased S O...along with their training algorithms: a monolingual gen- erative model of sentence structure, and a model of the relationship between the structure of a...tasks of monolingual parsing and word-level bilingual corpus alignment, they are demonstrated in two additional applications. First, a new statistical

Application of Air Coupled Acoustic Thermography (ACAT) for Inspection of Honeycomb Sandwich Structures

NASA Technical Reports Server (NTRS)

Winfree, William P.; Zalameda, Joseph N.; Pergantis, Charles; Flanagan, David; Deschepper, Daniel

2009-01-01

The application of a noncontact air coupled acoustic heating technique is investigated for the inspection of advanced honeycomb composite structures. A weakness in the out of plane stiffness of the structure, caused by a delamination or core damage, allows for the coupling of acoustic energy and thus this area will have a higher temperature than the surrounding area. Air coupled acoustic thermography (ACAT) measurements were made on composite sandwich structures with damage and were compared to conventional flash thermography. A vibrating plate model is presented to predict the optimal acoustic source frequency. Improvements to the measurement technique are also discussed.

Predictive Structure-Based Toxicology Approaches To Assess the Androgenic Potential of Chemicals.

PubMed

Trisciuzzi, Daniela; Alberga, Domenico; Mansouri, Kamel; Judson, Richard; Novellino, Ettore; Mangiatordi, Giuseppe Felice; Nicolotti, Orazio

2017-11-27

We present a practical and easy-to-run in silico workflow exploiting a structure-based strategy making use of docking simulations to derive highly predictive classification models of the androgenic potential of chemicals. Models were trained on a high-quality chemical collection comprising 1689 curated compounds made available within the CoMPARA consortium from the US Environmental Protection Agency and were integrated with a two-step applicability domain whose implementation had the effect of improving both the confidence in prediction and statistics by reducing the number of false negatives. Among the nine androgen receptor X-ray solved structures, the crystal 2PNU (entry code from the Protein Data Bank) was associated with the best performing structure-based classification model. Three validation sets comprising each 2590 compounds extracted by the DUD-E collection were used to challenge model performance and the effectiveness of Applicability Domain implementation. Next, the 2PNU model was applied to screen and prioritize two collections of chemicals. The first is a small pool of 12 representative androgenic compounds that were accurately classified based on outstanding rationale at the molecular level. The second is a large external blind set of 55450 chemicals with potential for human exposure. We show how the use of molecular docking provides highly interpretable models and can represent a real-life option as an alternative nontesting method for predictive toxicology.

Evaluation of Alternative Atomistic Models for the Incipient Growth of ZnO by Atomic Layer Deposition

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chu, Manh-Hung; Tian, Liang; Chaker, Ahmad

ZnO thin films are interesting for applications in several technological fields, including optoelectronics and renewable energies. Nanodevice applications require controlled synthesis of ZnO structures at nanometer scale, which can be achieved via atomic layer deposition (ALD). However, the mechanisms governing the initial stages of ALD had not been addressed until very recently. Investigations into the initial nucleation and growth as well as the atomic structure of the heterointerface are crucial to optimize the ALD process and understand the structure-property relationships for ZnO. We have used a complementary suite of in situ synchrotron x-ray techniques to investigate both the structural andmore » chemical evolution during ZnO growth by ALD on two different substrates, i.e., SiO2 and Al2O3, which led us to formulate an atomistic model of the incipient growth of ZnO. The model relies on the formation of nanoscale islands of different size and aspect ratio and consequent disorder induced in the Zn neighbors' distribution. However, endorsement of our model requires testing and discussion of possible alternative models which could account for the experimental results. In this work, we review, test, and rule out several alternative models; the results confirm our view of the atomistic mechanisms at play, which influence the overall microstructure and resulting properties of the final thin film.« less

The Proposal of a Evolutionary Strategy Generating the Data Structures Based on a Horizontal Tree for the Tests

NASA Astrophysics Data System (ADS)

Żukowicz, Marek; Markiewicz, Michał

2016-09-01

The aim of the article is to present a mathematical definition of the object model, that is known in computer science as TreeList and to show application of this model for design evolutionary algorithm, that purpose is to generate structures based on this object. The first chapter introduces the reader to the problem of presenting data using the TreeList object. The second chapter describes the problem of testing data structures based on TreeList. The third one shows a mathematical model of the object TreeList and the parameters, used in determining the utility of structures created through this model and in evolutionary strategy, that generates these structures for testing purposes. The last chapter provides a brief summary and plans for future research related to the algorithm presented in the article.

Fabrication of submicron proteinaceous structures by direct laser writing

DOE Office of Scientific and Technical Information (OSTI.GOV)

Serien, Daniela; Takeuchi, Shoji, E-mail: takeuchi@iis.u-tokyo.ac.jp; ERATO Takeuchi Biohybrid Innovation Project, Japan Science and Technology Agency, 4-6-1 Komaba, Meguro-ku, 153-8505 Tokyo

In this paper, we provide a characterization of truly free-standing proteinaceous structures with submicron feature sizes depending on the fabrication conditions by model-based analysis. Protein cross-linking of bovine serum albumin is performed by direct laser writing and two-photon excitation of flavin adenine dinucleotide. We analyze the obtainable fabrication resolution and required threshold energy for polymerization. The applied polymerization model allows prediction of fabrication conditions and resulting fabrication size, alleviating the application of proteinaceous structure fabrication.

Applications of a global nuclear-structure model to studies of the heaviest elements

DOE Office of Scientific and Technical Information (OSTI.GOV)

Moeller, P.; Nix, J.R.

1993-10-01

We present some new results on heavy-element nuclear-structure properties calculated on the basis of the finite-range droplet model and folded-Yukawa single-particle potential. Specifically, we discuss calculations of nuclear ground-state masses and microscopic corrections, {alpha}-decay properties, {beta}-decay properties, fission potential-energy surfaces, and spontaneous-fission half-lives. These results, obtained in a global nuclear-structure approach, are particularly reliable for describing the stability properties of the heaviest elements.

Integrated Modeling Tools for Thermal Analysis and Applications

NASA Technical Reports Server (NTRS)

Milman, Mark H.; Needels, Laura; Papalexandris, Miltiadis

1999-01-01

Integrated modeling of spacecraft systems is a rapidly evolving area in which multidisciplinary models are developed to design and analyze spacecraft configurations. These models are especially important in the early design stages where rapid trades between subsystems can substantially impact design decisions. Integrated modeling is one of the cornerstones of two of NASA's planned missions in the Origins Program -- the Next Generation Space Telescope (NGST) and the Space Interferometry Mission (SIM). Common modeling tools for control design and opto-mechanical analysis have recently emerged and are becoming increasingly widely used. A discipline that has been somewhat less integrated, but is nevertheless of critical concern for high precision optical instruments, is thermal analysis and design. A major factor contributing to this mild estrangement is that the modeling philosophies and objectives for structural and thermal systems typically do not coincide. Consequently the tools that are used in these discplines suffer a degree of incompatibility, each having developed along their own evolutionary path. Although standard thermal tools have worked relatively well in the past. integration with other disciplines requires revisiting modeling assumptions and solution methods. Over the past several years we have been developing a MATLAB based integrated modeling tool called IMOS (Integrated Modeling of Optical Systems) which integrates many aspects of structural, optical, control and dynamical analysis disciplines. Recent efforts have included developing a thermal modeling and analysis capability, which is the subject of this article. Currently, the IMOS thermal suite contains steady state and transient heat equation solvers, and the ability to set up the linear conduction network from an IMOS finite element model. The IMOS code generates linear conduction elements associated with plates and beams/rods of the thermal network directly from the finite element structural model. Conductances for temperature varying materials are accommodated. This capability both streamlines the process of developing the thermal model from the finite element model, and also makes the structural and thermal models compatible in the sense that each structural node is associated with a thermal node. This is particularly useful when the purpose of the analysis is to predict structural deformations due to thermal loads. The steady state solver uses a restricted step size Newton method, and the transient solver is an adaptive step size implicit method applicable to general differential algebraic systems. Temperature dependent conductances and capacitances are accommodated by the solvers. In addition to discussing the modeling and solution methods. applications where the thermal modeling is "in the loop" with sensitivity analysis, optimization and optical performance drawn from our experiences with the Space Interferometry Mission (SIM), and the Next Generation Space Telescope (NGST) are presented.

Application of phyto-indication and radiocesium indicative methods for microrelief mapping

NASA Astrophysics Data System (ADS)

Panidi, E.; Trofimetz, L.; Sokolova, J.

2016-04-01

Remote sensing technologies are widely used for production of Digital Elevation Models (DEMs), and geomorphometry techniques are valuable tools for DEM analysis. One of the broadly used applications of these technologies and techniques is relief mapping. In the simplest case, we can identify relief structures using DEM analysis, and produce a map or map series to show the relief condition. However, traditional techniques might fail when used for mapping microrelief structures (structures below ten meters in size). In this case high microrelief dynamics lead to technological and conceptual difficulties. Moreover, erosion of microrelief structures cannot be detected at the initial evolution stage using DEM modelling and analysis only. In our study, we investigate the possibilities and specific techniques for allocation of erosion microrelief structures, and mapping techniques for the microrelief derivatives (e.g. quantitative parameters of microrelief). Our toolset includes the analysis of spatial redistribution of the soil pollutants and phyto-indication analysis, which complement the common DEM modelling and geomorphometric analysis. We use field surveys produced at the test area, which is arable territory with high erosion risks. Our main conclusion at the current stage is that the indicative methods (i.e. radiocesium and phyto-indication methods) are effective for allocation of the erosion microrelief structures. Also, these methods need to be formalized for convenient use.

Advanced stress analysis methods applicable to turbine engine structures

NASA Technical Reports Server (NTRS)

Pian, T. H. H.

1985-01-01

Advanced stress analysis methods applicable to turbine engine structures are investigated. Constructions of special elements which containing traction-free circular boundaries are investigated. New versions of mixed variational principle and version of hybrid stress elements are formulated. A method is established for suppression of kinematic deformation modes. semiLoof plate and shell elements are constructed by assumed stress hybrid method. An elastic-plastic analysis is conducted by viscoplasticity theory using the mechanical subelement model.

Electro-thermal battery model identification for automotive applications

NASA Astrophysics Data System (ADS)

Hu, Y.; Yurkovich, S.; Guezennec, Y.; Yurkovich, B. J.

This paper describes a model identification procedure for identifying an electro-thermal model of lithium ion batteries used in automotive applications. The dynamic model structure adopted is based on an equivalent circuit model whose parameters are scheduled on the state-of-charge, temperature, and current direction. Linear spline functions are used as the functional form for the parametric dependence. The model identified in this way is valid inside a large range of temperatures and state-of-charge, so that the resulting model can be used for automotive applications such as on-board estimation of the state-of-charge and state-of-health. The model coefficients are identified using a multiple step genetic algorithm based optimization procedure designed for large scale optimization problems. The validity of the procedure is demonstrated experimentally for an A123 lithium ion iron-phosphate battery.

[Design of Complex Cavity Structure in Air Route System of Automated Peritoneal Dialysis Machine].

PubMed

Quan, Xiaoliang

2017-07-30

This paper introduced problems about Automated Peritoneal Dialysis machine(APD) that the lack of technical issues such as the structural design of the complex cavities. To study the flow characteristics of this special structure, the application of ANSYS CFX software is used with k-ε turbulence model as the theoretical basis of fluid mechanics. The numerical simulation of flow field simulation result in the internal model can be gotten after the complex structure model is imported into ANSYS CFX module. Then, it will present the distribution of complex cavities inside the flow field and the flow characteristics parameter, which will provide an important reference design for APD design.

Application of geologic-mathematical 3D modeling for complex structure deposits by the example of Lower- Cretaceous period depositions in Western Ust - Balykh oil field (Khanty-Mansiysk Autonomous District)

NASA Astrophysics Data System (ADS)

Perevertailo, T.; Nedolivko, N.; Prisyazhnyuk, O.; Dolgaya, T.

2015-11-01

The complex structure of the Lower-Cretaceous formation by the example of the reservoir BC101 in Western Ust - Balykh Oil Field (Khanty-Mansiysk Autonomous District) has been studied. Reservoir range relationships have been identified. 3D geologic- mathematical modeling technique considering the heterogeneity and variability of a natural reservoir structure has been suggested. To improve the deposit geological structure integrity methods of mathematical statistics were applied, which, in its turn, made it possible to obtain equal probability models with similar input data and to consider the formation conditions of reservoir rocks and cap rocks.

Structural Analysis of Chemokine Receptor–Ligand Interactions

PubMed Central

2017-01-01

This review focuses on the construction and application of structural chemokine receptor models for the elucidation of molecular determinants of chemokine receptor modulation and the structure-based discovery and design of chemokine receptor ligands. A comparative analysis of ligand binding pockets in chemokine receptors is presented, including a detailed description of the CXCR4, CCR2, CCR5, CCR9, and US28 X-ray structures, and their implication for modeling molecular interactions of chemokine receptors with small-molecule ligands, peptide ligands, and large antibodies and chemokines. These studies demonstrate how the integration of new structural information on chemokine receptors with extensive structure–activity relationship and site-directed mutagenesis data facilitates the prediction of the structure of chemokine receptor–ligand complexes that have not been crystallized. Finally, a review of structure-based ligand discovery and design studies based on chemokine receptor crystal structures and homology models illustrates the possibilities and challenges to find novel ligands for chemokine receptors. PMID:28165741

An improved approach for flight readiness certification: Probabilistic models for flaw propagation and turbine blade failure. Volume 1: Methodology and applications

NASA Technical Reports Server (NTRS)

Moore, N. R.; Ebbeler, D. H.; Newlin, L. E.; Sutharshana, S.; Creager, M.

1992-01-01

An improved methodology for quantitatively evaluating failure risk of spaceflight systems to assess flight readiness and identify risk control measures is presented. This methodology, called Probabilistic Failure Assessment (PFA), combines operating experience from tests and flights with analytical modeling of failure phenomena to estimate failure risk. The PFA methodology is of particular value when information on which to base an assessment of failure risk, including test experience and knowledge of parameters used in analytical modeling, is expensive or difficult to acquire. The PFA methodology is a prescribed statistical structure in which analytical models that characterize failure phenomena are used conjointly with uncertainties about analysis parameters and/or modeling accuracy to estimate failure probability distributions for specific failure modes. These distributions can then be modified, by means of statistical procedures of the PFA methodology, to reflect any test or flight experience. State-of-the-art analytical models currently employed for designs failure prediction, or performance analysis are used in this methodology. The rationale for the statistical approach taken in the PFA methodology is discussed, the PFA methodology is described, and examples of its application to structural failure modes are presented. The engineering models and computer software used in fatigue crack growth and fatigue crack initiation applications are thoroughly documented.

On various metrics used for validation of predictive QSAR models with applications in virtual screening and focused library design.

PubMed

Roy, Kunal; Mitra, Indrani

2011-07-01

Quantitative structure-activity relationships (QSARs) have important applications in drug discovery research, environmental fate modeling, property prediction, etc. Validation has been recognized as a very important step for QSAR model development. As one of the important objectives of QSAR modeling is to predict activity/property/toxicity of new chemicals falling within the domain of applicability of the developed models and QSARs are being used for regulatory decisions, checking reliability of the models and confidence of their predictions is a very important aspect, which can be judged during the validation process. One prime application of a statistically significant QSAR model is virtual screening for molecules with improved potency based on the pharmacophoric features and the descriptors appearing in the QSAR model. Validated QSAR models may also be utilized for design of focused libraries which may be subsequently screened for the selection of hits. The present review focuses on various metrics used for validation of predictive QSAR models together with an overview of the application of QSAR models in the fields of virtual screening and focused library design for diverse series of compounds with citation of some recent examples.

The Application of Contagious Disease Epidemiological Models to Known Population Structure and Movement

DTIC Science & Technology

2016-03-01

subpopulation in which they were located, as shown in the following table. 3 While similar in many...estimates in terms of the following three metrics: 1. total numbers of expected casualties, 2. the overall duration of the modeled outbreak, and 3 . the...11  3 . The Effect of Population Structure and Movement on Casualty Estimates ..............15 A.  Plague Results

Using semantic data modeling techniques to organize an object-oriented database for extending the mass storage model

NASA Technical Reports Server (NTRS)

Campbell, William J.; Short, Nicholas M., Jr.; Roelofs, Larry H.; Dorfman, Erik

1991-01-01

A methodology for optimizing organization of data obtained by NASA earth and space missions is discussed. The methodology uses a concept based on semantic data modeling techniques implemented in a hierarchical storage model. The modeling is used to organize objects in mass storage devices, relational database systems, and object-oriented databases. The semantic data modeling at the metadata record level is examined, including the simulation of a knowledge base and semantic metadata storage issues. The semantic data model hierarchy and its application for efficient data storage is addressed, as is the mapping of the application structure to the mass storage.

Progress with modeling activity landscapes in drug discovery.

PubMed

Vogt, Martin

2018-04-19

Activity landscapes (ALs) are representations and models of compound data sets annotated with a target-specific activity. In contrast to quantitative structure-activity relationship (QSAR) models, ALs aim at characterizing structure-activity relationships (SARs) on a large-scale level encompassing all active compounds for specific targets. The popularity of AL modeling has grown substantially with the public availability of large activity-annotated compound data sets. AL modeling crucially depends on molecular representations and similarity metrics used to assess structural similarity. Areas covered: The concepts of AL modeling are introduced and its basis in quantitatively assessing molecular similarity is discussed. The different types of AL modeling approaches are introduced. AL designs can broadly be divided into three categories: compound-pair based, dimensionality reduction, and network approaches. Recent developments for each of these categories are discussed focusing on the application of mathematical, statistical, and machine learning tools for AL modeling. AL modeling using chemical space networks is covered in more detail. Expert opinion: AL modeling has remained a largely descriptive approach for the analysis of SARs. Beyond mere visualization, the application of analytical tools from statistics, machine learning and network theory has aided in the sophistication of AL designs and provides a step forward in transforming ALs from descriptive to predictive tools. To this end, optimizing representations that encode activity relevant features of molecules might prove to be a crucial step.

Accelerating materials discovery through the development of polymer databases

NASA Astrophysics Data System (ADS)

Audus, Debra

In our line of business we create chemical solutions for a wide range of applications, such as home and personal care, printing and packaging, automotive and structural coatings, and structural plastics and foams applications. In this environment, stable and highly automated workflows suitable to handle complex systems are a must. By satisfying these prerequisites, efficiency for the development of new materials can be significantly improved by combining modeling and experimental approaches. This is in fact in line with recent Materials Genome Initiative efforts sponsored by the US administration. From our experience, we know, that valuable contributions to product development are possible today by combining existing modeling techniques in an intelligent fashion, provided modeling and experiment work closely together. In my presentation I intend to review approaches to build and parameterize soft matter systems. As an example of our standard workflow, I will show a few applications, which include the design of a stabilizer molecule for dispersing polymer particles and the simulation of polystyrene dispersions.

Socrates Meets the 21st Century

ERIC Educational Resources Information Center

Lege, Jerry

2005-01-01

A inquiry-based approach called the "modelling discussion" is introduced for structuring beginning modelling activity, teaching new mathematics from examining its applications in contextual situations, and as a general classroom management technique when students are engaged in mathematical modelling. An example which illustrates the style and…

Hydrodynamic Modeling and Its Application in AUC.

PubMed

Rocco, Mattia; Byron, Olwyn

2015-01-01

The hydrodynamic parameters measured in an AUC experiment, s(20,w) and D(t)(20,w)(0), can be used to gain information on the solution structure of (bio)macromolecules and their assemblies. This entails comparing the measured parameters with those that can be computed from usually "dry" structures by "hydrodynamic modeling." In this chapter, we will first briefly put hydrodynamic modeling in perspective and present the basic physics behind it as implemented in the most commonly used methods. The important "hydration" issue is also touched upon, and the distinction between rigid bodies versus those for which flexibility must be considered in the modeling process is then made. The available hydrodynamic modeling/computation programs, HYDROPRO, BEST, SoMo, AtoB, and Zeno, the latter four all implemented within the US-SOMO suite, are described and their performance evaluated. Finally, some literature examples are presented to illustrate the potential applications of hydrodynamics in the expanding field of multiresolution modeling. © 2015 Elsevier Inc. All rights reserved.

Algorithms for extraction of structural attitudes from 3D outcrop models

NASA Astrophysics Data System (ADS)

Duelis Viana, Camila; Endlein, Arthur; Ademar da Cruz Campanha, Ginaldo; Henrique Grohmann, Carlos

2016-05-01

The acquisition of geological attitudes on rock cuts using traditional field compass survey can be a time consuming, dangerous, or even impossible task depending on the conditions and location of outcrops. The importance of this type of data in rock-mass classifications and structural geology has led to the development of new techniques, in which the application of photogrammetric 3D digital models has had an increasing use. In this paper we present two algorithms for extraction of attitudes of geological discontinuities from virtual outcrop models: ply2atti and scanline, implemented with the Python programming language. The ply2atti algorithm allows for the virtual sampling of planar discontinuities appearing on the 3D model as individual exposed surfaces, while the scanline algorithm allows the sampling of discontinuities (surfaces and traces) along a virtual scanline. Application to digital models of a simplified test setup and a rock cut demonstrated a good correlation between the surveys undertaken using traditional field compass reading and virtual sampling on 3D digital models.

[Watershed water environment pollution models and their applications: a review].

PubMed

Zhu, Yao; Liang, Zhi-Wei; Li, Wei; Yang, Yi; Yang, Mu-Yi; Mao, Wei; Xu, Han-Li; Wu, Wei-Xiang

2013-10-01

Watershed water environment pollution model is the important tool for studying watershed environmental problems. Through the quantitative description of the complicated pollution processes of whole watershed system and its parts, the model can identify the main sources and migration pathways of pollutants, estimate the pollutant loadings, and evaluate their impacts on water environment, providing a basis for watershed planning and management. This paper reviewed the watershed water environment models widely applied at home and abroad, with the focuses on the models of pollutants loading (GWLF and PLOAD), water quality of received water bodies (QUAL2E and WASP), and the watershed models integrated pollutant loadings and water quality (HSPF, SWAT, AGNPS, AnnAGNPS, and SWMM), and introduced the structures, principles, and main characteristics as well as the limitations in practical applications of these models. The other models of water quality (CE-QUAL-W2, EFDC, and AQUATOX) and watershed models (GLEAMS and MIKE SHE) were also briefly introduced. Through the case analysis on the applications of single model and integrated models, the development trend and application prospect of the watershed water environment pollution models were discussed.

Tactical 3D Model Generation using Structure-From-Motion on Video from Unmanned Systems

DTIC Science & Technology

2015-04-01

available SfM application known as VisualSFM .6,7 VisualSFM is an end-user, “off-the-shelf” implementation of SfM that is easy to configure and used for...most 3D model generation applications from imagery. While the usual interface with VisualSFM is through their graphical user interface (GUI), we will be...of our system.5 There are two types of 3D model generation available within VisualSFM ; sparse and dense reconstruction. Sparse reconstruction begins

Project management in the development of scientific software

NASA Astrophysics Data System (ADS)

Platz, Jochen

1986-08-01

This contribution is a rough outline of a comprehensive project management model for the development of software for scientific applications. The model was tested in the unique environment of the Siemens AG Corporate Research and Technology Division. Its focal points are the structuring of project content - the so-called phase organization, the project organization and the planning model used, and its particular applicability to innovative projects. The outline focuses largely on actual project management aspects rather than associated software engineering measures.

An automation simulation testbed

NASA Technical Reports Server (NTRS)

Cook, George E.; Sztipanovits, Janos; Biegl, Csaba; Karsai, Gabor; Springfield, James F.; Mutammara, Atheel

1988-01-01

The work being done in porting ROBOSIM (a graphical simulation system developed jointly by NASA-MSFC and Vanderbilt University) to the HP350SRX graphics workstation is described. New additional ROBOSIM features, like collision detection and new kinematics simulation methods are also discussed. Based on the experiences of the work on ROBOSIM, a new graphics structural modeling environment is suggested which is intended to be a part of a new knowledge-based multiple aspect modeling testbed. The knowledge-based modeling methodologies and tools already available are described. Three case studies in the area of Space Station automation are also reported. First a geometrical structural model of the station is presented. This model was developed using the ROBOSIM package. Next the possible application areas of an integrated modeling environment in the testing of different Space Station operations are discussed. One of these possible application areas is the modeling of the Environmental Control and Life Support System (ECLSS), which is one of the most complex subsystems of the station. Using the multiple aspect modeling methodology, a fault propagation model of this system is being built and is described.

Langley's CSI evolutionary model: Phase 2

NASA Technical Reports Server (NTRS)

Horta, Lucas G.; Reaves, Mercedes C.; Elliott, Kenny B.; Belvin, W. Keith; Teter, John E.

1995-01-01

Phase 2 testbed is part of a sequence of laboratory models, developed at NASA Langley Research Center, to enhance our understanding on how to model, control, and design structures for space applications. A key problem with structures that must perform in space is the appearance of unwanted vibrations during operations. Instruments, design independently by different scientists, must share the same vehicle causing them to interact with each other. Once in space, these problems are difficult to correct and therefore, prediction via analysis design, and experiments is very important. Phase 2 laboratory model and its predecessors are designed to fill a gap between theory and practice and to aid in understanding important aspects in modeling, sensor and actuator technology, ground testing techniques, and control design issues. This document provides detailed information on the truss structure and its main components, control computer architecture, and structural models generated along with corresponding experimental results.

Semi-analytical model for a slab one-dimensional photonic crystal

NASA Astrophysics Data System (ADS)

Libman, M.; Kondratyev, N. M.; Gorodetsky, M. L.

2018-02-01

In our work we justify the applicability of a dielectric mirror model to the description of a real photonic crystal. We demonstrate that a simple one-dimensional model of a multilayer mirror can be employed for modeling of a slab waveguide with periodically changing width. It is shown that this width change can be recalculated to the effective refraction index modulation. The applicability of transfer matrix method of reflection properties calculation was demonstrated. Finally, our 1-D model was employed to analyze reflection properties of a 2-D structure - a slab photonic crystal with a number of elliptic holes.

Scalable nanohelices for predictive studies and enhanced 3D visualization.

PubMed

Meagher, Kwyn A; Doblack, Benjamin N; Ramirez, Mercedes; Davila, Lilian P

2014-11-12

Spring-like materials are ubiquitous in nature and of interest in nanotechnology for energy harvesting, hydrogen storage, and biological sensing applications. For predictive simulations, it has become increasingly important to be able to model the structure of nanohelices accurately. To study the effect of local structure on the properties of these complex geometries one must develop realistic models. To date, software packages are rather limited in creating atomistic helical models. This work focuses on producing atomistic models of silica glass (SiO₂) nanoribbons and nanosprings for molecular dynamics (MD) simulations. Using an MD model of "bulk" silica glass, two computational procedures to precisely create the shape of nanoribbons and nanosprings are presented. The first method employs the AWK programming language and open-source software to effectively carve various shapes of silica nanoribbons from the initial bulk model, using desired dimensions and parametric equations to define a helix. With this method, accurate atomistic silica nanoribbons can be generated for a range of pitch values and dimensions. The second method involves a more robust code which allows flexibility in modeling nanohelical structures. This approach utilizes a C++ code particularly written to implement pre-screening methods as well as the mathematical equations for a helix, resulting in greater precision and efficiency when creating nanospring models. Using these codes, well-defined and scalable nanoribbons and nanosprings suited for atomistic simulations can be effectively created. An added value in both open-source codes is that they can be adapted to reproduce different helical structures, independent of material. In addition, a MATLAB graphical user interface (GUI) is used to enhance learning through visualization and interaction for a general user with the atomistic helical structures. One application of these methods is the recent study of nanohelices via MD simulations for mechanical energy harvesting purposes.

Applications of large-scale density functional theory in biology

NASA Astrophysics Data System (ADS)

Cole, Daniel J.; Hine, Nicholas D. M.

2016-10-01

Density functional theory (DFT) has become a routine tool for the computation of electronic structure in the physics, materials and chemistry fields. Yet the application of traditional DFT to problems in the biological sciences is hindered, to a large extent, by the unfavourable scaling of the computational effort with system size. Here, we review some of the major software and functionality advances that enable insightful electronic structure calculations to be performed on systems comprising many thousands of atoms. We describe some of the early applications of large-scale DFT to the computation of the electronic properties and structure of biomolecules, as well as to paradigmatic problems in enzymology, metalloproteins, photosynthesis and computer-aided drug design. With this review, we hope to demonstrate that first principles modelling of biological structure-function relationships are approaching a reality.

A practical technique for quantifying the performance of acoustic emission systems on plate-like structures.

PubMed

Scholey, J J; Wilcox, P D; Wisnom, M R; Friswell, M I

2009-06-01

A model for quantifying the performance of acoustic emission (AE) systems on plate-like structures is presented. Employing a linear transfer function approach the model is applicable to both isotropic and anisotropic materials. The model requires several inputs including source waveforms, phase velocity and attenuation. It is recognised that these variables may not be readily available, thus efficient measurement techniques are presented for obtaining phase velocity and attenuation in a form that can be exploited directly in the model. Inspired by previously documented methods, the application of these techniques is examined and some important implications for propagation characterisation in plates are discussed. Example measurements are made on isotropic and anisotropic plates and, where possible, comparisons with numerical solutions are made. By inputting experimentally obtained data into the model, quantitative system metrics are examined for different threshold values and sensor locations. By producing plots describing areas of hit success and source location error, the ability to measure the performance of different AE system configurations is demonstrated. This quantitative approach will help to place AE testing on a more solid foundation, underpinning its use in industrial AE applications.

X-ray Phase Contrast Allows Three Dimensional, Quantitative Imaging of Hydrogel Implants

PubMed Central

Appel, Alyssa A.; Larson, Jeffery C.; Jiang, Bin; Zhong, Zhong; Anastasio, Mark A.; Brey, Eric M.

2015-01-01

Three dimensional imaging techniques are needed for the evaluation and assessment of biomaterials used for tissue engineering and drug delivery applications. Hydrogels are a particularly popular class of materials for medical applications but are difficult to image in tissue using most available imaging modalities. Imaging techniques based on X-ray Phase Contrast (XPC) have shown promise for tissue engineering applications due to their ability to provide image contrast based on multiple X-ray properties. In this manuscript, we investigate the use of XPC for imaging a model hydrogel and soft tissue structure. Porous fibrin loaded poly(ethylene glycol) hydrogels were synthesized and implanted in a rodent subcutaneous model. Samples were explanted and imaged with an analyzer-based XPC technique and processed and stained for histology for comparison. Both hydrogel and soft tissues structures could be identified in XPC images. Structure in skeletal muscle adjacent could be visualized and invading fibrovascular tissue could be quantified. There were no differences between invading tissue measurements from XPC and the gold-standard histology. These results provide evidence of the significant potential of techniques based on XPC for 3D imaging of hydrogel structure and local tissue response. PMID:26487123

X-ray Phase Contrast Allows Three Dimensional, Quantitative Imaging of Hydrogel Implants

DOE PAGES

Appel, Alyssa A.; Larson, Jeffrey C.; Jiang, Bin; ...

2015-10-20

Three dimensional imaging techniques are needed for the evaluation and assessment of biomaterials used for tissue engineering and drug delivery applications. Hydrogels are a particularly popular class of materials for medical applications but are difficult to image in tissue using most available imaging modalities. Imaging techniques based on X-ray Phase Contrast (XPC) have shown promise for tissue engineering applications due to their ability to provide image contrast based on multiple X-ray properties. In this manuscript we describe results using XPC to image a model hydrogel and soft tissue structure. Porous fibrin loaded poly(ethylene glycol) hydrogels were synthesized and implanted inmore » a rodent subcutaneous model. Samples were explanted and imaged with an analyzer-based XPC technique and processed and stained for histology for comparison. Both hydrogel and soft tissues structures could be identified in XPC images. Structure in skeletal muscle adjacent could be visualized and invading fibrovascular tissue could be quantified. In quantitative results, there were no differences between XPC and the gold-standard histological measurements. These results provide evidence of the significant potential of techniques based on XPC for 3D imaging of hydrogel structure and local tissue response.« less

Trainable structure-activity relationship model for virtual screening of CYP3A4 inhibition.

PubMed

Didziapetris, Remigijus; Dapkunas, Justas; Sazonovas, Andrius; Japertas, Pranas

2010-11-01

A new structure-activity relationship model predicting the probability for a compound to inhibit human cytochrome P450 3A4 has been developed using data for >800 compounds from various literature sources and tested on PubChem screening data. Novel GALAS (Global, Adjusted Locally According to Similarity) modeling methodology has been used, which is a combination of baseline global QSAR model and local similarity based corrections. GALAS modeling method allows forecasting the reliability of prediction thus defining the model applicability domain. For compounds within this domain the statistical results of the final model approach the data consistency between experimental data from literature and PubChem datasets with the overall accuracy of 89%. However, the original model is applicable only for less than a half of PubChem database. Since the similarity correction procedure of GALAS modeling method allows straightforward model training, the possibility to expand the applicability domain has been investigated. Experimental data from PubChem dataset served as an example of in-house high-throughput screening data. The model successfully adapted itself to both data classified using the same and different IC₅₀ threshold compared with the training set. In addition, adjustment of the CYP3A4 inhibition model to compounds with a novel chemical scaffold has been demonstrated. The reported GALAS model is proposed as a useful tool for virtual screening of compounds for possible drug-drug interactions even prior to the actual synthesis.

From the Superatom Model to a Diverse Array of Super-Elements: A Systematic Study of Dopant Influence on the Electronic Structure of Thiolate-Protected Gold Clusters.

PubMed

Schacht, Julia; Gaston, Nicola

2016-10-18

The electronic properties of doped thiolate-protected gold clusters are often referred to as tunable, but their study to date, conducted at different levels of theory, does not allow a systematic evaluation of this claim. Here, using density functional theory, the applicability of the superatomic model to these clusters is critically evaluated, and related to the degree of structural distortion and electronic inhomogeneity in the differently doped clusters, with dopant atoms Pd, Pt, Cu, and Ag. The effect of electron number is systematically evaluated by varying the charge on the overall cluster, and the nominal number of delocalized electrons, employed in the superatomic model, is compared to the numbers obtained from Bader analysis of individual atomic charges. We find that the superatomic model is highly applicable to all of these clusters, and is able to predict and explain the changing electronic structure as a function of charge. However, significant perturbations of the model arise due to doping, due to distortions of the core structure of the Au 13 [RS(AuSR) 2 ] 6 - cluster. In addition, analysis of the electronic structure indicates that the superatomic character is distributed further across the ligand shell in the case of the doped clusters, which may have implications for the self-assembly of these clusters into materials. The prediction of appropriate clusters for such superatomic solids relies critically on such quantitative analysis of the tunability of the electronic structure. © 2016 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Laser interference microscopy: a novel approach to the visualization of structural changes in myelin during the propagation of nerve impulses

NASA Astrophysics Data System (ADS)

Yusipovich, A. I.; Cherkashin, A. A.; Verdiyan, E. E.; Sogomonyan, I. A.; Maksimov, G. V.

2016-08-01

We used 3D phase images obtained by laser interference microscopy (LIM) for ex vivo evaluation of changes in the structure of myelin during repetitive stimulation. In this work we propose a simple model of myelinated nerve fiber (mNF), which describes phase images as a result of different geometry and membrane-to-cytoplasm ratio in various regions, particularly, the internode and paranodal-nodal-paranodal region, including the node of Ranvier. Application of this model provides clear interpretation of the phase images and also demonstrates that repetitive action potentials are accompanied by structural changes in myelin in the internode and cytoplasmic modification in the node of Ranvier. The first 20 min of stimulation did not induce significant changes in the measured parameters, but then the optical path difference at the periphery of mNF and at the node of Ranvier declined reversibly. We believe that our model is also applicable to other modifications of interference and non-interference imaging.

Damping in Space Constructions

NASA Astrophysics Data System (ADS)

de Vreugd, Jan; de Lange, Dorus; Winters, Jasper; Human, Jet; Kamphues, Fred; Tabak, Erik

2014-06-01

Monolithic structures are often used in optomechanical designs for space applications to achieve high dimensional stability and to prevent possible backlash and friction phenomena. The capacity of monolithic structures to dissipate mechanical energy is however limited due to the high Q-factor, which might result in high stresses during dynamic launch loads like random vibration, sine sweeps and shock. To reduce the Q-factor in space applications, the effect of constrained layer damping (CLD) is investigated in this work. To predict the damping increase, the CLD effect is implemented locally at the supporting struts in an existing FE model of an optical instrument. Numerical simulations show that the effect of local damping treatment in this instrument could reduce the vibrational stresses with 30-50%. Validation experiments on a simple structure showed good agreement between measured and predicted damping properties. This paper presents material characterization, material modeling, numerical implementation of damping models in finite element code, numerical results on space hardware and the results of validation experiments.

Possibility of transforming the electronic structure of one species of graphene adatoms into that of another by application of gate voltage: First-principles calculations

NASA Astrophysics Data System (ADS)

Chan, Kevin T.; Lee, Hoonkyung; Cohen, Marvin L.

2011-10-01

Graphene provides many advantages for controlling the electronic structure of adatoms and other adsorbates via gating. Using the projected density of states and charge density obtained from first-principles density-functional periodic supercell calculations, we investigate the possibility of performing “alchemy” of adatoms on graphene, i.e., transforming the electronic structure of one species of adatom into that of another species by application of a gate voltage. Gating is modeled as a change in the number of electrons in the unit cell, with the inclusion of a compensating uniform background charge. Within this model and the generalized gradient approximation to the exchange-correlation functional, we find that such transformations are possible for K, Ca, and several transition-metal adatoms. Gate control of the occupation of the p states of In on graphene is also investigated. The validity of the supercell approximation with uniform compensating charge and the model for exchange and correlation is also discussed.

Inverse Problems in Complex Models and Applications to Earth Sciences

NASA Astrophysics Data System (ADS)

Bosch, M. E.

2015-12-01

The inference of the subsurface earth structure and properties requires the integration of different types of data, information and knowledge, by combined processes of analysis and synthesis. To support the process of integrating information, the regular concept of data inversion is evolving to expand its application to models with multiple inner components (properties, scales, structural parameters) that explain multiple data (geophysical survey data, well-logs, core data). The probabilistic inference methods provide the natural framework for the formulation of these problems, considering a posterior probability density function (PDF) that combines the information from a prior information PDF and the new sets of observations. To formulate the posterior PDF in the context of multiple datasets, the data likelihood functions are factorized assuming independence of uncertainties for data originating across different surveys. A realistic description of the earth medium requires modeling several properties and structural parameters, which relate to each other according to dependency and independency notions. Thus, conditional probabilities across model components also factorize. A common setting proceeds by structuring the model parameter space in hierarchical layers. A primary layer (e.g. lithology) conditions a secondary layer (e.g. physical medium properties), which conditions a third layer (e.g. geophysical data). In general, less structured relations within model components and data emerge from the analysis of other inverse problems. They can be described with flexibility via direct acyclic graphs, which are graphs that map dependency relations between the model components. Examples of inverse problems in complex models can be shown at various scales. At local scale, for example, the distribution of gas saturation is inferred from pre-stack seismic data and a calibrated rock-physics model. At regional scale, joint inversion of gravity and magnetic data is applied for the estimation of lithological structure of the crust, with the lithotype body regions conditioning the mass density and magnetic susceptibility fields. At planetary scale, the Earth mantle temperature and element composition is inferred from seismic travel-time and geodetic data.

Predicting nucleic acid binding interfaces from structural models of proteins

PubMed Central

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

2011-01-01

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 to 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. PMID:22086767

Introduction to the special section on mixture modeling in personality assessment.

PubMed

Wright, Aidan G C; Hallquist, Michael N

2014-01-01

Latent variable models offer a conceptual and statistical framework for evaluating the underlying structure of psychological constructs, including personality and psychopathology. Complex structures that combine or compare categorical and dimensional latent variables can be accommodated using mixture modeling approaches, which provide a powerful framework for testing nuanced theories about psychological structure. This special series includes introductory primers on cross-sectional and longitudinal mixture modeling, in addition to empirical examples applying these techniques to real-world data collected in clinical settings. This group of articles is designed to introduce personality assessment scientists and practitioners to a general latent variable framework that we hope will stimulate new research and application of mixture models to the assessment of personality and its pathology.

Parameter and Structure Inference for Nonlinear Dynamical Systems

NASA Technical Reports Server (NTRS)

Morris, Robin D.; Smelyanskiy, Vadim N.; Millonas, Mark

2006-01-01

A great many systems can be modeled in the non-linear dynamical systems framework, as x = f(x) + xi(t), where f() is the potential function for the system, and xi is the excitation noise. Modeling the potential using a set of basis functions, we derive the posterior for the basis coefficients. A more challenging problem is to determine the set of basis functions that are required to model a particular system. We show that using the Bayesian Information Criteria (BIC) to rank models, and the beam search technique, that we can accurately determine the structure of simple non-linear dynamical system models, and the structure of the coupling between non-linear dynamical systems where the individual systems are known. This last case has important ecological applications.

Generic Business Model Types for Enterprise Mashup Intermediaries

NASA Astrophysics Data System (ADS)

Hoyer, Volker; Stanoevska-Slabeva, Katarina

The huge demand for situational and ad-hoc applications desired by the mass of business end users led to a new kind of Web applications, well-known as Enterprise Mashups. Users with no or limited programming skills are empowered to leverage in a collaborative manner existing Mashup components by combining and reusing company internal and external resources within minutes to new value added applications. Thereby, Enterprise Mashup environments interact as intermediaries to match the supply of providers and demand of consumers. By following the design science approach, we propose an interaction phase model artefact based on market transaction phases to structure required intermediary features. By means of five case studies, we demonstrate the application of the designed model and identify three generic business model types for Enterprise Mashups intermediaries (directory, broker, and marketplace). So far, intermediaries following a real marketplace business model don’t exist in context of Enterprise Mashups and require further research for this emerging paradigm.

Proposal for a new CAPE-OPEN Object Model

EPA Science Inventory

Process simulation applications require the exchange of significant amounts of data between the flowsheet environment, unit operation model, and thermodynamic server. Packing and unpacking various data types and exchanging data using structured text-based architectures, including...

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

DOE Office of Scientific and Technical Information (OSTI.GOV)

Moges, Edom; Demissie, Yonas; Li, Hong-Yi

2016-04-01

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

Application of enhanced modern structured analysis techniques to Space Station Freedom electric power system requirements

NASA Technical Reports Server (NTRS)

Biernacki, John; Juhasz, John; Sadler, Gerald

1991-01-01

A team of Space Station Freedom (SSF) system engineers are in the process of extensive analysis of the SSF requirements, particularly those pertaining to the electrical power system (EPS). The objective of this analysis is the development of a comprehensive, computer-based requirements model, using an enhanced modern structured analysis methodology (EMSA). Such a model provides a detailed and consistent representation of the system's requirements. The process outlined in the EMSA methodology is unique in that it allows the graphical modeling of real-time system state transitions, as well as functional requirements and data relationships, to be implemented using modern computer-based tools. These tools permit flexible updating and continuous maintenance of the models. Initial findings resulting from the application of EMSA to the EPS have benefited the space station program by linking requirements to design, providing traceability of requirements, identifying discrepancies, and fostering an understanding of the EPS.

Generating Accurate 3d Models of Architectural Heritage Structures Using Low-Cost Camera and Open Source Algorithms

NASA Astrophysics Data System (ADS)

Zacharek, M.; Delis, P.; Kedzierski, M.; Fryskowska, A.

2017-05-01

These studies have been conductedusing non-metric digital camera and dense image matching algorithms, as non-contact methods of creating monuments documentation.In order toprocess the imagery, few open-source software and algorithms of generating adense point cloud from images have been executed. In the research, the OSM Bundler, VisualSFM software, and web application ARC3D were used. Images obtained for each of the investigated objects were processed using those applications, and then dense point clouds and textured 3D models were created. As a result of post-processing, obtained models were filtered and scaled.The research showedthat even using the open-source software it is possible toobtain accurate 3D models of structures (with an accuracy of a few centimeters), but for the purpose of documentation and conservation of cultural and historical heritage, such accuracy can be insufficient.

Finite Element Modeling of Deployment, and Foam Rigidization of Struts and Quarter Scale Shooting Star Experiment

NASA Technical Reports Server (NTRS)

Leigh, Larry, Jr.

2002-01-01

Inflated cylindrical struts constructed of kapton polyimide film and rigidized with foam have considerable practical application and potential for use as components of inflatable concentrator assemblies, antenna structures and space power systems, Because of their importance, it is of great interest to characterize the dynamic behavior of these components and structures both experimentally and analytically. It is very helpful to take a building-block approach to modeling and understanding inflatable assemblies by first investigating in detail the behavior of the components such as the struts. The foam material used for rigidization of such cylinders has varying modulus, which is a function of different factors, such as density of the foam. Thus, the primary motivation of the tests and analytical modeling efforts was to determine and understand the response of foam-rigidized cylinders for different densities, sizes, and construction methods, In recent years, inflatable structures have been the subject of renewed interest for space applications such as communications antennae, solar thermal propulsion, and space solar power. A major advantage of using inflatable structures in space is that they are extremely lightweight. This makes inflatables a perfect match for solar thermal propulsion because of the low thrust levels available. An obvious second advantage is on-orbit deployability and subsequent space savings in launch configuration. It can be seen that inflatable cylindrical struts and torus are critical components of structural assemblies. In view of this importance, structural dynamic and static behaviors of typical rigidized polyimide struts are investigated in this paper. The paper will focus on the finite element models that were used to model the behavior of the complete solar collector structure, and the results that they provided, as compared to test data.

Residue contacts predicted by evolutionary covariance extend the application of ab initio molecular replacement to larger and more challenging protein folds.

PubMed

Simkovic, Felix; Thomas, Jens M H; Keegan, Ronan M; Winn, Martyn D; Mayans, Olga; Rigden, Daniel J

2016-07-01

For many protein families, the deluge of new sequence information together with new statistical protocols now allow the accurate prediction of contacting residues from sequence information alone. This offers the possibility of more accurate ab initio (non-homology-based) structure prediction. Such models can be used in structure solution by molecular replacement (MR) where the target fold is novel or is only distantly related to known structures. Here, AMPLE, an MR pipeline that assembles search-model ensembles from ab initio structure predictions ('decoys'), is employed to assess the value of contact-assisted ab initio models to the crystallographer. It is demonstrated that evolutionary covariance-derived residue-residue contact predictions improve the quality of ab initio models and, consequently, the success rate of MR using search models derived from them. For targets containing β-structure, decoy quality and MR performance were further improved by the use of a β-strand contact-filtering protocol. Such contact-guided decoys achieved 14 structure solutions from 21 attempted protein targets, compared with nine for simple Rosetta decoys. Previously encountered limitations were superseded in two key respects. Firstly, much larger targets of up to 221 residues in length were solved, which is far larger than the previously benchmarked threshold of 120 residues. Secondly, contact-guided decoys significantly improved success with β-sheet-rich proteins. Overall, the improved performance of contact-guided decoys suggests that MR is now applicable to a significantly wider range of protein targets than were previously tractable, and points to a direct benefit to structural biology from the recent remarkable advances in sequencing.

Residue contacts predicted by evolutionary covariance extend the application of ab initio molecular replacement to larger and more challenging protein folds

PubMed Central

Simkovic, Felix; Thomas, Jens M. H.; Keegan, Ronan M.; Winn, Martyn D.; Mayans, Olga; Rigden, Daniel J.

2016-01-01

For many protein families, the deluge of new sequence information together with new statistical protocols now allow the accurate prediction of contacting residues from sequence information alone. This offers the possibility of more accurate ab initio (non-homology-based) structure prediction. Such models can be used in structure solution by molecular replacement (MR) where the target fold is novel or is only distantly related to known structures. Here, AMPLE, an MR pipeline that assembles search-model ensembles from ab initio structure predictions (‘decoys’), is employed to assess the value of contact-assisted ab initio models to the crystallographer. It is demonstrated that evolutionary covariance-derived residue–residue contact predictions improve the quality of ab initio models and, consequently, the success rate of MR using search models derived from them. For targets containing β-structure, decoy quality and MR performance were further improved by the use of a β-strand contact-filtering protocol. Such contact-guided decoys achieved 14 structure solutions from 21 attempted protein targets, compared with nine for simple Rosetta decoys. Previously encountered limitations were superseded in two key respects. Firstly, much larger targets of up to 221 residues in length were solved, which is far larger than the previously benchmarked threshold of 120 residues. Secondly, contact-guided decoys significantly improved success with β-sheet-rich proteins. Overall, the improved performance of contact-guided decoys suggests that MR is now applicable to a significantly wider range of protein targets than were previously tractable, and points to a direct benefit to structural biology from the recent remarkable advances in sequencing. PMID:27437113

Chemical Bonding in Sulfide Minerals

DOE Office of Scientific and Technical Information (OSTI.GOV)

Vaughan, David J.; Rosso, Kevin M.

An understanding of chemical bonding and electronic structure in sulfide minerals is central to any attempt at understanding their crystal structures, stabilities and physical properties. It is also an essential precursor to understanding reactivity through modeling surface structure at the molecular scale. In recent decades, there have been remarkable advances in first principles (ab initio) methods for the quantitative calculation of electronic structure. These advances have been made possible by the very rapid development of high performance computers. Several review volumes that chart the applications of these developments in mineralogy and geochemistry are available (Tossell and Vaughan, 1992; Cygan andmore » Kubicki, 2001). An important feature of the sulfide minerals is the diversity of their electronic structures, as evidenced by their electrical and magnetic properties (see Pearce et al. 2006, this volume). Thus, sulfide minerals range from insulators through semiconductors to metals, and exhibit every type of magnetic behavior. This has presented problems for those attempting to develop bonding models for sulfides, and also led to certain misconceptions regarding the kinds of models that may be appropriate. In this chapter, chemical bonding and electronic structure models for sulfides are reviewed with emphasis on more recent developments. Although the fully ab initio quantitative methods are now capable of a remarkable degree of sophistication in terms of agreement with experiment and potential to interpret and predict behavior with varying conditions, both qualitative and more simplistic quantitative approaches will also be briefly discussed. This is because we believe that the insights which they provide are still helpful to those studying sulfide minerals. In addition to the application of electronic structure models and calculations to solid sulfides, work on sulfide mineral surfaces (Rosso and Vaughan 2006a,b) and solution complexes and clusters (Rickard and Luther, 2006) are discussed in detail later in this volume.« less

Hierarchical pictorial structures for simultaneously localizing multiple organs in volumetric pre-scan CT

NASA Astrophysics Data System (ADS)

Montillo, Albert; Song, Qi; Das, Bipul; Yin, Zhye

2015-03-01

Parsing volumetric computed tomography (CT) into 10 or more salient organs simultaneously is a challenging task with many applications such as personalized scan planning and dose reporting. In the clinic, pre-scan data can come in the form of very low dose volumes acquired just prior to the primary scan or from an existing primary scan. To localize organs in such diverse data, we propose a new learning based framework that we call hierarchical pictorial structures (HPS) which builds multiple levels of models in a tree-like hierarchy that mirrors the natural decomposition of human anatomy from gross structures to finer structures. Each node of our hierarchical model learns (1) the local appearance and shape of structures, and (2) a generative global model that learns probabilistic, structural arrangement. Our main contribution is twofold. First we embed the pictorial structures approach in a hierarchical framework which reduces test time image interpretation and allows for the incorporation of additional geometric constraints that robustly guide model fitting in the presence of noise. Second we guide our HPS framework with the probabilistic cost maps extracted using random decision forests using volumetric 3D HOG features which makes our model fast to train and fast to apply to novel test data and posses a high degree of invariance to shape distortion and imaging artifacts. All steps require approximate 3 mins to compute and all organs are located with suitably high accuracy for our clinical applications such as personalized scan planning for radiation dose reduction. We assess our method using a database of volumetric CT scans from 81 subjects with widely varying age and pathology and with simulated ultra-low dose cadaver pre-scan data.

A multiple hypotheses uncertainty analysis in hydrological modelling: about model structure, landscape parameterization, and numerical integration

NASA Astrophysics Data System (ADS)

Pilz, Tobias; Francke, Till; Bronstert, Axel

2016-04-01

Until today a large number of competing computer models has been developed to understand hydrological processes and to simulate and predict streamflow dynamics of rivers. This is primarily the result of a lack of a unified theory in catchment hydrology due to insufficient process understanding and uncertainties related to model development and application. Therefore, the goal of this study is to analyze the uncertainty structure of a process-based hydrological catchment model employing a multiple hypotheses approach. The study focuses on three major problems that have received only little attention in previous investigations. First, to estimate the impact of model structural uncertainty by employing several alternative representations for each simulated process. Second, explore the influence of landscape discretization and parameterization from multiple datasets and user decisions. Third, employ several numerical solvers for the integration of the governing ordinary differential equations to study the effect on simulation results. The generated ensemble of model hypotheses is then analyzed and the three sources of uncertainty compared against each other. To ensure consistency and comparability all model structures and numerical solvers are implemented within a single simulation environment. First results suggest that the selection of a sophisticated numerical solver for the differential equations positively affects simulation outcomes. However, already some simple and easy to implement explicit methods perform surprisingly well and need less computational efforts than more advanced but time consuming implicit techniques. There is general evidence that ambiguous and subjective user decisions form a major source of uncertainty and can greatly influence model development and application at all stages.

An ontology-based comparative anatomy information system

PubMed Central

Travillian, Ravensara S.; Diatchka, Kremena; Judge, Tejinder K.; Wilamowska, Katarzyna; Shapiro, Linda G.

2010-01-01

Introduction This paper describes the design, implementation, and potential use of a comparative anatomy information system (CAIS) for querying on similarities and differences between homologous anatomical structures across species, the knowledge base it operates upon, the method it uses for determining the answers to the queries, and the user interface it employs to present the results. The relevant informatics contributions of our work include (1) the development and application of the structural difference method, a formalism for symbolically representing anatomical similarities and differences across species; (2) the design of the structure of a mapping between the anatomical models of two different species and its application to information about specific structures in humans, mice, and rats; and (3) the design of the internal syntax and semantics of the query language. These contributions provide the foundation for the development of a working system that allows users to submit queries about the similarities and differences between mouse, rat, and human anatomy; delivers result sets that describe those similarities and differences in symbolic terms; and serves as a prototype for the extension of the knowledge base to any number of species. Additionally, we expanded the domain knowledge by identifying medically relevant structural questions for the human, the mouse, and the rat, and made an initial foray into the validation of the application and its content by means of user questionnaires, software testing, and other feedback. Methods The anatomical structures of the species to be compared, as well as the mappings between species, are modeled on templates from the Foundational Model of Anatomy knowledge base, and compared using graph-matching techniques. A graphical user interface allows users to issue queries that retrieve information concerning similarities and differences between structures in the species being examined. Queries from diverse information sources, including domain experts, peer-reviewed articles, and reference books, have been used to test the system and to illustrate its potential use in comparative anatomy studies. Results 157 test queries were submitted to the CAIS system, and all of them were correctly answered. The interface was evaluated in terms of clarity and ease of use. This testing determined that the application works well, and is fairly intuitive to use, but users want to see more clarification of the meaning of the different types of possible queries. Some of the interface issues will naturally be resolved as we refine our conceptual model to deal with partial and complex homologies in the content. Conclusions The CAIS system and its associated methods are expected to be useful to biologists and translational medicine researchers. Possible applications range from supporting theoretical work in clarifying and modeling ontogenetic, physiological, pathological, and evolutionary transformations, to concrete techniques for improving the analysis of genotype–phenotype relationships among various animal models in support of a wide array of clinical and scientific initiatives. PMID:21146377

Fiia: A Model-Based Approach to Engineering Collaborative Augmented Reality

NASA Astrophysics Data System (ADS)

Wolfe, Christopher; Smith, J. David; Phillips, W. Greg; Graham, T. C. Nicholas

Augmented reality systems often involve collaboration among groups of people. While there are numerous toolkits that aid the development of such augmented reality groupware systems (e.g., ARToolkit and Groupkit), there remains an enormous gap between the specification of an AR groupware application and its implementation. In this chapter, we present Fiia, a toolkit which simplifies the development of collaborative AR applications. Developers specify the structure of their applications using the Fiia modeling language, which abstracts details of networking and provides high-level support for specifying adapters between the physical and virtual world. The Fiia.Net runtime system then maps this conceptual model to a runtime implementation. We illustrate Fiia via Raptor, an augmented reality application used to help small groups collaboratively prototype video games.

Scaling Irregular Applications through Data Aggregation and Software Multithreading

DOE Office of Scientific and Technical Information (OSTI.GOV)

Morari, Alessandro; Tumeo, Antonino; Chavarría-Miranda, Daniel

Bioinformatics, data analytics, semantic databases, knowledge discovery are emerging high performance application areas that exploit dynamic, linked data structures such as graphs, unbalanced trees or unstructured grids. These data structures usually are very large, requiring significantly more memory than available on single shared memory systems. Additionally, these data structures are difficult to partition on distributed memory systems. They also present poor spatial and temporal locality, thus generating unpredictable memory and network accesses. The Partitioned Global Address Space (PGAS) programming model seems suitable for these applications, because it allows using a shared memory abstraction across distributed-memory clusters. However, current PGAS languagesmore » and libraries are built to target regular remote data accesses and block transfers. Furthermore, they usually rely on the Single Program Multiple Data (SPMD) parallel control model, which is not well suited to the fine grained, dynamic and unbalanced parallelism of irregular applications. In this paper we present {\\bf GMT} (Global Memory and Threading library), a custom runtime library that enables efficient execution of irregular applications on commodity clusters. GMT integrates a PGAS data substrate with simple fork/join parallelism and provides automatic load balancing on a per node basis. It implements multi-level aggregation and lightweight multithreading to maximize memory and network bandwidth with fine-grained data accesses and tolerate long data access latencies. A key innovation in the GMT runtime is its thread specialization (workers, helpers and communication threads) that realize the overall functionality. We compare our approach with other PGAS models, such as UPC running using GASNet, and hand-optimized MPI code on a set of typical large-scale irregular applications, demonstrating speedups of an order of magnitude.« less

Correlation of finite-element structural dynamic analysis with measured free vibration characteristics for a full-scale helicopter fuselage

NASA Technical Reports Server (NTRS)

Kenigsberg, I. J.; Dean, M. W.; Malatino, R.

1974-01-01

The correlation achieved with each program provides the material for a discussion of modeling techniques developed for general application to finite-element dynamic analyses of helicopter airframes. Included are the selection of static and dynamic degrees of freedom, cockpit structural modeling, and the extent of flexible-frame modeling in the transmission support region and in the vicinity of large cut-outs. The sensitivity of predicted results to these modeling assumptions are discussed. Both the Sikorsky Finite-Element Airframe Vibration analysis Program (FRAN/Vibration Analysis) and the NASA Structural Analysis Program (NASTRAN) have been correlated with data taken in full-scale vibration tests of a modified CH-53A helicopter.

Stirling engine - Approach for long-term durability assessment

NASA Technical Reports Server (NTRS)

Tong, Michael T.; Bartolotta, Paul A.; Halford, Gary R.; Freed, Alan D.

1992-01-01

The approach employed by NASA Lewis for the long-term durability assessment of the Stirling engine hot-section components is summarized. The approach consists of: preliminary structural assessment; development of a viscoplastic constitutive model to accurately determine material behavior under high-temperature thermomechanical loads; an experimental program to characterize material constants for the viscoplastic constitutive model; finite-element thermal analysis and structural analysis using a viscoplastic constitutive model to obtain stress/strain/temperature at the critical location of the hot-section components for life assessment; and development of a life prediction model applicable for long-term durability assessment at high temperatures. The approach should aid in the provision of long-term structural durability and reliability of Stirling engines.

The effect of data structures on INGRES performance

DOE Office of Scientific and Technical Information (OSTI.GOV)

Creighton, J.R.

1987-01-01

Computer experiments were conducted to determine the effect of using Heap, ISAM, Hash and B-tree data structures for INGRES relations. Average times for retrieve, append and update were determined for searches by unique key and non-key data. The experiments were conducted on relations of approximately 1000 tuples of 332 byte width. Multiple operations were performed, where appropriate, to obtain average times. Simple models of the data structures are presented and shown to be consistent with experimental results. The models can be used to predict performance, and to select the appropriate data structure for various applications.

The stability of coupled renewal-differential equations with econometric applications

NASA Technical Reports Server (NTRS)

Rhoten, R. P.; Aggarwal, J. K.

1969-01-01

Concepts and results are presented in the fields of mathematical modeling, economics, and stability analysis. A coupled renewal-differential equation structure is presented as a modeling form for systems possessing hereditary characteristics, and this structure is applied to a model of the Austrian theory of business cycles. For realistic conditions, the system is shown to have an infinite number of poles, and conditions are presented which are both necessary and sufficient for all poles to lie strictly in the left half plane.

Application of the TEMPEST computer code for simulating hydrogen distribution in model containment structures. [PWR; BWR

DOE Office of Scientific and Technical Information (OSTI.GOV)

Trent, D.S.; Eyler, L.L.

In this study several aspects of simulating hydrogen distribution in geometric configurations relevant to reactor containment structures were investigated using the TEMPEST computer code. Of particular interest was the performance of the TEMPEST turbulence model in a density-stratified environment. Computed results illustrated that the TEMPEST numerical procedures predicted the measured phenomena with good accuracy under a variety of conditions and that the turbulence model used is a viable approach in complex turbulent flow simulation.

Structural equation modeling for observational studies

USGS Publications Warehouse

Grace, J.B.

2008-01-01

Structural equation modeling (SEM) represents a framework for developing and evaluating complex hypotheses about systems. This method of data analysis differs from conventional univariate and multivariate approaches familiar to most biologists in several ways. First, SEMs are multiequational and capable of representing a wide array of complex hypotheses about how system components interrelate. Second, models are typically developed based on theoretical knowledge and designed to represent competing hypotheses about the processes responsible for data structure. Third, SEM is conceptually based on the analysis of covariance relations. Most commonly, solutions are obtained using maximum-likelihood solution procedures, although a variety of solution procedures are used, including Bayesian estimation. Numerous extensions give SEM a very high degree of flexibility in dealing with nonnormal data, categorical responses, latent variables, hierarchical structure, multigroup comparisons, nonlinearities, and other complicating factors. Structural equation modeling allows researchers to address a variety of questions about systems, such as how different processes work in concert, how the influences of perturbations cascade through systems, and about the relative importance of different influences. I present 2 example applications of SEM, one involving interactions among lynx (Lynx pardinus), mongooses (Herpestes ichneumon), and rabbits (Oryctolagus cuniculus), and the second involving anuran species richness. Many wildlife ecologists may find SEM useful for understanding how populations function within their environments. Along with the capability of the methodology comes a need for care in the proper application of SEM.

A Model for Determining Optimal Governance Structure in DoD Acquisition Projects in a Performance-Based Environment

DTIC Science & Technology

2011-03-09

task stability, technology application certainty, risk, and transaction-specific investments impact the selection of the optimal mode of governance...technology application certainty, risk, and transaction-specific investments impact the selection of the optimal mode of governance. Our model views...U.S. Defense Industry. The 1990s were a perfect storm of technological change, consolidation , budget downturns, environmental uncertainty, and the

Functional Connectivity Mapping in the Animal Model: Principles and Applications of Resting-State fMRI

PubMed Central

Gorges, Martin; Roselli, Francesco; Müller, Hans-Peter; Ludolph, Albert C.; Rasche, Volker; Kassubek, Jan

2017-01-01

“Resting-state” fMRI has substantially contributed to the understanding of human and non-human functional brain organization by the analysis of correlated patterns in spontaneous activity within dedicated brain systems. Spontaneous neural activity is indirectly measured from the blood oxygenation level-dependent signal as acquired by echo planar imaging, when subjects quietly “resting” in the scanner. Animal models including disease or knockout models allow a broad spectrum of experimental manipulations not applicable in humans. The non-invasive fMRI approach provides a promising tool for cross-species comparative investigations. This review focuses on the principles of “resting-state” functional connectivity analysis and its applications to living animals. The translational aspect from in vivo animal models toward clinical applications in humans is emphasized. We introduce the fMRI-based investigation of the non-human brain’s hemodynamics, the methodological issues in the data postprocessing, and the functional data interpretation from different abstraction levels. The longer term goal of integrating fMRI connectivity data with structural connectomes obtained with tracing and optical imaging approaches is presented and will allow the interrogation of fMRI data in terms of directional flow of information and may identify the structural underpinnings of observed functional connectivity patterns. PMID:28539914

Simulation Analysis and Performance Study of CoCrMo Porous Structure Manufactured by Selective Laser Melting

NASA Astrophysics Data System (ADS)

Guoqing, Zhang; Junxin, Li; Jin, Li; Chengguang, Zhang; Zefeng, Xiao

2018-04-01

To fabricate porous implants with improved biocompatibility and mechanical properties that are matched to their application using selective laser melting (SLM), flow within the mold and compressive properties and performance of the porous structures must be comprehensively studied. Parametric modeling was used to build 3D models of octahedron and hexahedron structures. Finite element analysis was used to evaluate the mold flow and compressive properties of the parametric porous structures. A DiMetal-100 SLM molding apparatus was used to manufacture the porous structures and the results evaluated by light microscopy. The results showed that parametric modeling can produce robust models. Square structures caused higher blood cell adhesion than cylindrical structures. "Vortex" flow in square structures resulted in chaotic distribution of blood elements, whereas they were mostly distributed around the connecting parts in the cylindrical structures. No significant difference in elastic moduli or compressive strength was observed in square and cylindrical porous structures of identical characteristics. Hexahedron, square and cylindrical porous structures had the same stress-strain properties. For octahedron porous structures, cylindrical structures had higher stress-strain properties. Using these modeling and molding results, an important basis for designing and the direct manufacture of fixed biological implants is provided.

Simulation Analysis and Performance Study of CoCrMo Porous Structure Manufactured by Selective Laser Melting

NASA Astrophysics Data System (ADS)

Guoqing, Zhang; Junxin, Li; Jin, Li; Chengguang, Zhang; Zefeng, Xiao

2018-05-01

To fabricate porous implants with improved biocompatibility and mechanical properties that are matched to their application using selective laser melting (SLM), flow within the mold and compressive properties and performance of the porous structures must be comprehensively studied. Parametric modeling was used to build 3D models of octahedron and hexahedron structures. Finite element analysis was used to evaluate the mold flow and compressive properties of the parametric porous structures. A DiMetal-100 SLM molding apparatus was used to manufacture the porous structures and the results evaluated by light microscopy. The results showed that parametric modeling can produce robust models. Square structures caused higher blood cell adhesion than cylindrical structures. "Vortex" flow in square structures resulted in chaotic distribution of blood elements, whereas they were mostly distributed around the connecting parts in the cylindrical structures. No significant difference in elastic moduli or compressive strength was observed in square and cylindrical porous structures of identical characteristics. Hexahedron, square and cylindrical porous structures had the same stress-strain properties. For octahedron porous structures, cylindrical structures had higher stress-strain properties. Using these modeling and molding results, an important basis for designing and the direct manufacture of fixed biological implants is provided.

Python package for model STructure ANalysis (pySTAN)

NASA Astrophysics Data System (ADS)

Van Hoey, Stijn; van der Kwast, Johannes; Nopens, Ingmar; Seuntjens, Piet

2013-04-01

The selection and identification of a suitable hydrological model structure is more than fitting parameters of a model structure to reproduce a measured hydrograph. The procedure is highly dependent on various criteria, i.e. the modelling objective, the characteristics and the scale of the system under investigation as well as the available data. Rigorous analysis of the candidate model structures is needed to support and objectify the selection of the most appropriate structure for a specific case (or eventually justify the use of a proposed ensemble of structures). This holds both in the situation of choosing between a limited set of different structures as well as in the framework of flexible model structures with interchangeable components. Many different methods to evaluate and analyse model structures exist. This leads to a sprawl of available methods, all characterized by different assumptions, changing conditions of application and various code implementations. Methods typically focus on optimization, sensitivity analysis or uncertainty analysis, with backgrounds from optimization, machine-learning or statistics amongst others. These methods also need an evaluation metric (objective function) to compare the model outcome with some observed data. However, for current methods described in literature, implementations are not always transparent and reproducible (if available at all). No standard procedures exist to share code and the popularity (and amount of applications) of the methods is sometimes more dependent on the availability than the merits of the method. Moreover, new implementations of existing methods are difficult to verify and the different theoretical backgrounds make it difficult for environmental scientists to decide about the usefulness of a specific method. A common and open framework with a large set of methods can support users in deciding about the most appropriate method. Hence, it enables to simultaneously apply and compare different methods on a fair basis. We developed and present pySTAN (python framework for STructure Analysis), a python package containing a set of functions for model structure evaluation to provide the analysis of (hydrological) model structures. A selected set of algorithms for optimization, uncertainty and sensitivity analysis is currently available, together with a set of evaluation (objective) functions and input distributions to sample from. The methods are implemented model-independent and the python language provides the wrapper functions to apply administer external model codes. Different objective functions can be considered simultaneously with both statistical metrics and more hydrology specific metrics. By using so-called reStructuredText (sphinx documentation generator) and Python documentation strings (docstrings), the generation of manual pages is semi-automated and a specific environment is available to enhance both the readability and transparency of the code. It thereby enables a larger group of users to apply and compare these methods and to extend the functionalities.

Development of a rotorcraft. Propulsion dynamics interface analysis, volume 2

NASA Technical Reports Server (NTRS)

Hull, R.

1982-01-01

A study was conducted to establish a coupled rotor/propulsion analysis that would be applicable to a wide range of rotorcraft systems. The effort included the following tasks: (1) development of a model structure suitable for simulating a wide range of rotorcraft configurations; (2) defined a methodology for parameterizing the model structure to represent a particular rotorcraft; (3) constructing a nonlinear coupled rotor/propulsion model as a test case to use in analyzing coupled system dynamics; and (4) an attempt to develop a mostly linear coupled model derived from the complete nonlinear simulations. Documentation of the computer models developed is presented.

METHODS FOR MODELING PARTICLE DEPOSITION AS A FUNCTION OF AGE. (R827352C004)

EPA Science Inventory

The purpose of this paper is to review the application of mathematical models of inhaled particle deposition to people of various ages. The basic considerations of aerosol physics, biological characteristics and model structure are presented along with limitations inherent in ...

Modeling protein structure at near atomic resolutions with Gorgon.

PubMed

Baker, Matthew L; Abeysinghe, Sasakthi S; Schuh, Stephen; Coleman, Ross A; Abrams, Austin; Marsh, Michael P; Hryc, Corey F; Ruths, Troy; Chiu, Wah; Ju, Tao

2011-05-01

Electron cryo-microscopy (cryo-EM) has played an increasingly important role in elucidating the structure and function of macromolecular assemblies in near native solution conditions. Typically, however, only non-atomic resolution reconstructions have been obtained for these large complexes, necessitating computational tools for integrating and extracting structural details. With recent advances in cryo-EM, maps at near-atomic resolutions have been achieved for several macromolecular assemblies from which models have been manually constructed. In this work, we describe a new interactive modeling toolkit called Gorgon targeted at intermediate to near-atomic resolution density maps (10-3.5 Å), particularly from cryo-EM. Gorgon's de novo modeling procedure couples sequence-based secondary structure prediction with feature detection and geometric modeling techniques to generate initial protein backbone models. Beyond model building, Gorgon is an extensible interactive visualization platform with a variety of computational tools for annotating a wide variety of 3D volumes. Examples from cryo-EM maps of Rotavirus and Rice Dwarf Virus are used to demonstrate its applicability to modeling protein structure. Copyright © 2011 Elsevier Inc. All rights reserved.

Advances in Fabrication Materials of Honeycomb Structure Films by the Breath-Figure Method

PubMed Central

Heng, Liping; Wang, Bin; Li, Muchen; Zhang, Yuqi; Jiang, Lei

2013-01-01

Creatures in nature possess almost perfect structures and properties, and exhibit harmonization and unification between structure and function. Biomimetics, mimicking nature for engineering solutions, provides a model for the development of functional surfaces with special properties. Recently, honeycomb structure materials have attracted wide attention for both fundamental research and practical applications and have become an increasingly hot research topic. Though progress in the field of breath-figure formation has been reviewed, the advance in the fabrication materials of bio-inspired honeycomb structure films has not been discussed. Here we review the recent progress of honeycomb structure fabrication materials which were prepared by the breath-figure method. The application of breath figures for the generation of all kinds of honeycomb is discussed. PMID:28809319

Quantum theory for the dynamic structure factor in correlated two-component systems in nonequilibrium: Application to x-ray scattering.

PubMed

Vorberger, J; Chapman, D A

2018-01-01

We present a quantum theory for the dynamic structure factors in nonequilibrium, correlated, two-component systems such as plasmas or warm dense matter. The polarization function, which is needed as the input for the calculation of the structure factors, is calculated in nonequilibrium based on a perturbation expansion in the interaction strength. To make our theory applicable for x-ray scattering, a generalized Chihara decomposition for the total electron structure factor in nonequilibrium is derived. Examples are given and the influence of correlations and exchange on the structure and the x-ray-scattering spectrum are discussed for a model nonequilibrium distribution, as often encountered during laser heating of materials, as well as for two-temperature systems.

Quantum theory for the dynamic structure factor in correlated two-component systems in nonequilibrium: Application to x-ray scattering

NASA Astrophysics Data System (ADS)

Vorberger, J.; Chapman, D. A.

2018-01-01

We present a quantum theory for the dynamic structure factors in nonequilibrium, correlated, two-component systems such as plasmas or warm dense matter. The polarization function, which is needed as the input for the calculation of the structure factors, is calculated in nonequilibrium based on a perturbation expansion in the interaction strength. To make our theory applicable for x-ray scattering, a generalized Chihara decomposition for the total electron structure factor in nonequilibrium is derived. Examples are given and the influence of correlations and exchange on the structure and the x-ray-scattering spectrum are discussed for a model nonequilibrium distribution, as often encountered during laser heating of materials, as well as for two-temperature systems.

Design of Accelerator Online Simulator Server Using Structured Data

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shen, Guobao; /Brookhaven; Chu, Chungming

2012-07-06

Model based control plays an important role for a modern accelerator during beam commissioning, beam study, and even daily operation. With a realistic model, beam behaviour can be predicted and therefore effectively controlled. The approach used by most current high level application environments is to use a built-in simulation engine and feed a realistic model into that simulation engine. Instead of this traditional monolithic structure, a new approach using a client-server architecture is under development. An on-line simulator server is accessed via network accessible structured data. With this approach, a user can easily access multiple simulation codes. This paper describesmore » the design, implementation, and current status of PVData, which defines the structured data, and PVAccess, which provides network access to the structured data.« less

Psychometric properties of the Brief Symptom Inventory-18 in a Spanish breast cancer sample.

PubMed

Galdón, Ma José; Durá, Estrella; Andreu, Yolanda; Ferrando, Maite; Murgui, Sergio; Pérez, Sandra; Ibañez, Elena

2008-12-01

The objective of this work was to study the psychometric and structural properties of the Brief Symptom Inventory-18 (BSI-18) in a sample of breast cancer patients (N=175). Confirmatory factor analyses were conducted. Two models were tested: the theoretical model with the original structure (three-dimensional), and the empirical model (a four-factor structure) obtained through exploratory factor analysis initially performed by the authors of the BSI-18. The eligible structure was the original proposal consisting of three dimensions: somatization, depression, and anxiety scores. These measures also showed good internal consistency. The results of this study support the reliability and structural validity of the BSI-18 as a standardized instrument for screening purposes in breast cancer patients, with the added benefits of simplicity and ease of application.

Impedance measures in analysis and characterization of multistable structures subjected to harmonic excitation

NASA Astrophysics Data System (ADS)

Harne, Ryan L.; Goodpaster, Benjamin A.

2018-01-01

Structural components susceptible to adverse, post-buckled dynamic behaviors have long challenged the success of applications requiring lightweight, slender curved structures, while researchers have begun to leverage such bistable systems in emerging applications for novel energy attenuation and shape-changing properties. To expedite development and deployment of these built-up platforms containing post-buckled constituents, efficient approaches are required to complement time-consuming full-field models in the prediction of the near- and far-from-equilibrium dynamics. This research meets the need by introducing a semi-analytical model framework to enable the characterization of steady-state responses in multi degree-of-freedom (DOF) and multistable structural systems subjected to harmonic excitation. In so doing, the pathway for assessing impedance measures is created here so as to identify how energy travels and returns within built-up multistable structures. Verified by simulations and qualitatively validated by experiments, the analysis is shown to accurately reproduce both near- and far-from-equilibrium responses including different classes of energetic snap-through dynamics that only exist in such multistable structures. A first look at the impedance measures of different dynamic regimes reveals a connection between damping in multistable structures and the sustainability of far-from-equilibrium oscillations.

Curved Thermopiezoelectric Shell Structures Modeled by Finite Element Analysis

NASA Technical Reports Server (NTRS)

Lee, Ho-Jun

2000-01-01

"Smart" structures composed of piezoelectric materials may significantly improve the performance of aeropropulsion systems through a variety of vibration, noise, and shape-control applications. The development of analytical models for piezoelectric smart structures is an ongoing, in-house activity at the NASA Glenn Research Center at Lewis Field focused toward the experimental characterization of these materials. Research efforts have been directed toward developing analytical models that account for the coupled mechanical, electrical, and thermal response of piezoelectric composite materials. Current work revolves around implementing thermal effects into a curvilinear-shell finite element code. This enhances capabilities to analyze curved structures and to account for coupling effects arising from thermal effects and the curved geometry. The current analytical model implements a unique mixed multi-field laminate theory to improve computational efficiency without sacrificing accuracy. The mechanics can model both the sensory and active behavior of piezoelectric composite shell structures. Finite element equations are being implemented for an eight-node curvilinear shell element, and numerical studies are being conducted to demonstrate capabilities to model the response of curved piezoelectric composite structures (see the figure).

Information Object Definition–based Unified Modeling Language Representation of DICOM Structured Reporting

PubMed Central

Tirado-Ramos, Alfredo; Hu, Jingkun; Lee, K.P.

2002-01-01

Supplement 23 to DICOM (Digital Imaging and Communications for Medicine), Structured Reporting, is a specification that supports a semantically rich representation of image and waveform content, enabling experts to share image and related patient information. DICOM SR supports the representation of textual and coded data linked to images and waveforms. Nevertheless, the medical information technology community needs models that work as bridges between the DICOM relational model and open object-oriented technologies. The authors assert that representations of the DICOM Structured Reporting standard, using object-oriented modeling languages such as the Unified Modeling Language, can provide a high-level reference view of the semantically rich framework of DICOM and its complex structures. They have produced an object-oriented model to represent the DICOM SR standard and have derived XML-exchangeable representations of this model using World Wide Web Consortium specifications. They expect the model to benefit developers and system architects who are interested in developing applications that are compliant with the DICOM SR specification. PMID:11751804

Application of holographic interferometry for analysis of the dynamic and modal characteristics of an advanced exotic metal airfoil structure

NASA Astrophysics Data System (ADS)

Fein, Howard

1999-03-01

Holographic Interferometry has been successfully employed to characterize the materials and behavior of diverse types of structures under stress. Specialized variations of this technology have also been applied to define dynamic and vibration related structural behavior. Such applications of holographic technique offer some of the most effective methods of modal and dynamic analysis available. Real-time dynamic testing of the modal and mechanical behavior of aerodynamic control and airfoil structures for advanced aircraft has always required advanced instrumentation for data collection in either actual flight test or wind-tunnel simulations. Advanced optical holography techniques are alternate methods which result in actual full-field behavioral data on the ground in a noninvasive environment. These methods offer significant insight in both the development and subsequent operational test and modeling of advanced exotic metal control structures and their integration with total vehicle system dynamics. Structures and materials can be analyzed with very low amplitude excitation and the resultant data can be used to adjust the accuracy mathematically derived structural and behavioral models. Holographic Interferometry offers a powerful tool to aid in the developmental engineering of exotic metal structures for high stress applications. Advanced Titanium alloy is a significant example of these sorts of materials which has found continually increased use in advanced aerodynamic, undersea, and other highly mobil platforms. Aircraft applications in particular must consider environments where extremes in vibration and impulsive mechanical stress can affect both operation and structural stability. These considerations present ideal requisites for analysis using advanced holographic methods in the initial design and test of structures made with such advanced materials. Holographic techniques are nondestructive, real- time, and definitive in allowing the identification of vibrational modes, displacements, and motion geometries. Such information can be crucial to the determination of mechanical configurations and designs as well as operational parameters of structural components fabricated from advanced and exotic materials. Anomalous behavioral characteristics can be directly related to hidden structural or mounting anomalies and defects. Deriving such information can be crucial to the determination of mechanical configurations and designs, as well as critical operational parameters of structural components fabricated from advanced and exotic materials.

The virtual dissecting room: Creating highly detailed anatomy models for educational purposes.

PubMed

Zilverschoon, Marijn; Vincken, Koen L; Bleys, Ronald L A W

2017-01-01

Virtual 3D models are powerful tools for teaching anatomy. At the present day, there are a lot of different digital anatomy models, most of these commercial applications are based on a 3D model of a human body reconstructed from images with a 1mm intervals. The use of even smaller intervals may result in more details and more realistic appearances of 3D anatomy models. The aim of this study was to create a realistic and highly detailed 3D model of the hand and wrist based on small interval cross-sectional images, suitable for undergraduate and postgraduate teaching purposes with the possibility to perform a virtual dissection in an educational application. In 115 transverse cross-sections from a human hand and wrist, segmentation was done by manually delineating 90 different structures. With the use of Amira the segments were imported and a surface model/polygon model was created, followed by smoothening of the surfaces in Mudbox. In 3D Coat software the smoothed polygon models were automatically retopologied into a quadrilaterals formation and a UV map was added. In Mudbox, the textures from 90 structures were depicted in a realistic way by using photos from real tissue and afterwards height maps, gloss and specular maps were created to add more level of detail and realistic lightning on every structure. Unity was used to build a new software program that would support all the extra map features together with a preferred user interface. A 3D hand model has been created, containing 100 structures (90 at start and 10 extra structures added along the way). The model can be used interactively by changing the transparency, manipulating single or grouped structures and thereby simulating a virtual dissection. This model can be used for a variety of teaching purposes, ranging from undergraduate medical students to residents of hand surgery. Studying the hand and wrist anatomy using this model is cost-effective and not hampered by the limited access to real dissecting facilities. Copyright © 2016 Elsevier Inc. All rights reserved.

ballaxy: web services for structural bioinformatics.

PubMed

Hildebrandt, Anna Katharina; Stöckel, Daniel; Fischer, Nina M; de la Garza, Luis; Krüger, Jens; Nickels, Stefan; Röttig, Marc; Schärfe, Charlotta; Schumann, Marcel; Thiel, Philipp; Lenhof, Hans-Peter; Kohlbacher, Oliver; Hildebrandt, Andreas

2015-01-01

Web-based workflow systems have gained considerable momentum in sequence-oriented bioinformatics. In structural bioinformatics, however, such systems are still relatively rare; while commercial stand-alone workflow applications are common in the pharmaceutical industry, academic researchers often still rely on command-line scripting to glue individual tools together. In this work, we address the problem of building a web-based system for workflows in structural bioinformatics. For the underlying molecular modelling engine, we opted for the BALL framework because of its extensive and well-tested functionality in the field of structural bioinformatics. The large number of molecular data structures and algorithms implemented in BALL allows for elegant and sophisticated development of new approaches in the field. We hence connected the versatile BALL library and its visualization and editing front end BALLView with the Galaxy workflow framework. The result, which we call ballaxy, enables the user to simply and intuitively create sophisticated pipelines for applications in structure-based computational biology, integrated into a standard tool for molecular modelling.  ballaxy consists of three parts: some minor modifications to the Galaxy system, a collection of tools and an integration into the BALL framework and the BALLView application for molecular modelling. Modifications to Galaxy will be submitted to the Galaxy project, and the BALL and BALLView integrations will be integrated in the next major BALL release. After acceptance of the modifications into the Galaxy project, we will publish all ballaxy tools via the Galaxy toolshed. In the meantime, all three components are available from http://www.ball-project.org/ballaxy. Also, docker images for ballaxy are available at https://registry.hub.docker.com/u/anhi/ballaxy/dockerfile/. ballaxy is licensed under the terms of the GPL. © The Author 2014. Published by Oxford University Press. All rights reserved. For Permissions, please e-mail: journals.permissions@oup.com.

A general description of detachment for multidimensional modelling of biofilms.

PubMed

Xavier, Joao de Bivar; Picioreanu, Cristian; van Loosdrecht, Mark C M

2005-09-20

A general method for describing biomass detachment in multidimensional biofilm modelling is introduced. Biomass losses from processes acting on the entire surface of the biofilm, such as erosion, are modelled using a continuous detachment speed function F(det). Discrete detachment events, i.e. sloughing, are implicitly derived from simulations. The method is flexible to allow F(det) to take several forms, including expressions dependent on any state variables such as the local biofilm density. This methodology for biomass detachment was integrated with multidimensional (2D and 3D) particle-based multispecies biofilm models by using a novel application of the level set method. Application of the method is illustrated by trends in the dynamics of biofilms structure and activity derived from simulations performed on a simple model considering uniform biomass (case study I) and a model discriminating biomass composition in heterotrophic active mass, extracellular polymeric substances (EPS) and inert mass (case study II). Results from case study I demonstrate the effect of applied detachment forces as a fundamental factor influencing steady-state biofilm activity and structure. Trends from experimental observations reported in literature were correctly described. For example, simulation results indicated that biomass sloughing is reduced when erosion forces are increased. Case study II illustrates the application of the detachment methodology to systems with non-uniform biomass composition. Simulations carried out at different bulk concentrations of substrate show changes in biofilm structure (in terms of shape, density and spatial distribution of biomass components) and activity (in terms of oxygen and substrate consumption) as a consequence of either oxygen-limited or substrate-limited growth. (c) 2005 Wiley Periodicals, Inc.

Application of structured analysis to a telerobotic system

NASA Technical Reports Server (NTRS)

Dashman, Eric; Mclin, David; Harrison, F. W.; Soloway, Donald; Young, Steven

1990-01-01

The analysis and evaluation of a multiple arm telerobotic research and demonstration system developed by the NASA Intelligent Systems Research Laboratory (ISRL) is described. Structured analysis techniques were used to develop a detailed requirements model of an existing telerobotic testbed. Performance models generated during this process were used to further evaluate the total system. A commercial CASE tool called Teamwork was used to carry out the structured analysis and development of the functional requirements model. A structured analysis and design process using the ISRL telerobotic system as a model is described. Evaluation of this system focused on the identification of bottlenecks in this implementation. The results demonstrate that the use of structured methods and analysis tools can give useful performance information early in a design cycle. This information can be used to ensure that the proposed system meets its design requirements before it is built.

Social inheritance can explain the structure of animal social networks

PubMed Central

Ilany, Amiyaal; Akçay, Erol

2016-01-01

The social network structure of animal populations has major implications for survival, reproductive success, sexual selection and pathogen transmission of individuals. But as of yet, no general theory of social network structure exists that can explain the diversity of social networks observed in nature, and serve as a null model for detecting species and population-specific factors. Here we propose a simple and generally applicable model of social network structure. We consider the emergence of network structure as a result of social inheritance, in which newborns are likely to bond with maternal contacts, and via forming bonds randomly. We compare model output with data from several species, showing that it can generate networks with properties such as those observed in real social systems. Our model demonstrates that important observed properties of social networks, including heritability of network position or assortative associations, can be understood as consequences of social inheritance. PMID:27352101

Euromech 579 Arpino 3-8 April 2017: Generalized and microstructured continua: new ideas in modeling and/or applications to structures with (nearly)inextensible fibers—a review of presentations and discussions

NASA Astrophysics Data System (ADS)

Laudato, Marco; Di Cosmo, Fabio

2018-04-01

In the present paper, a rational report on Euromech 579, Generalized and Microstructured Continua: New ideas in modeling and/or Applications to Structures with (nearly)inextensible fibers (Arpino 3-8 April 2017), is provided. The main aim of the colloquium was to provide a forum for experts in generalized and microstructured continua with inextensible fibers to exchange ideas and get informed about the latest research trends in the domain. The interested reader will find more details about the colloquium at the dedicated web page http://www.memocsevents.eu/euromech579.

Projection-based stabilization of interface Lagrange multipliers in immersogeometric fluid-thin structure interaction analysis, with application to heart valve modeling.

PubMed

Kamensky, David; Evans, John A; Hsu, Ming-Chen; Bazilevs, Yuri

2017-11-01

This paper discusses a method of stabilizing Lagrange multiplier fields used to couple thin immersed shell structures and surrounding fluids. The method retains essential conservation properties by stabilizing only the portion of the constraint orthogonal to a coarse multiplier space. This stabilization can easily be applied within iterative methods or semi-implicit time integrators that avoid directly solving a saddle point problem for the Lagrange multiplier field. Heart valve simulations demonstrate applicability of the proposed method to 3D unsteady simulations. An appendix sketches the relation between the proposed method and a high-order-accurate approach for simpler model problems.

In vitro skin models and tissue engineering protocols for skin graft applications.

PubMed

Naves, Lucas B; Dhand, Chetna; Almeida, Luis; Rajamani, Lakshminarayanan; Ramakrishna, Seeram

2016-11-30

In this review, we present a brief introduction of the skin structure, a concise compilation of skin-related disorders, and a thorough discussion of different in vitro skin models, artificial skin substitutes, skin grafts, and dermal tissue engineering protocols. The advantages of the development of in vitro skin disorder models, such as UV radiation and the prototype model, melanoma model, wound healing model, psoriasis model, and full-thickness model are also discussed. Different types of skin grafts including allografts, autografts, allogeneic, and xenogeneic are described in detail with their associated applications. We also discuss different tissue engineering protocols for the design of various types of skin substitutes and their commercial outcomes. Brief highlights are given of the new generation three-dimensional printed scaffolds for tissue regeneration applications. © 2016 The Author(s). published by Portland Press Limited on behalf of the Biochemical Society.

Application of Bayesian inference to the study of hierarchical organization in self-organized complex adaptive systems

NASA Astrophysics Data System (ADS)

Knuth, K. H.

2001-05-01

We consider the application of Bayesian inference to the study of self-organized structures in complex adaptive systems. In particular, we examine the distribution of elements, agents, or processes in systems dominated by hierarchical structure. We demonstrate that results obtained by Caianiello [1] on Hierarchical Modular Systems (HMS) can be found by applying Jaynes' Principle of Group Invariance [2] to a few key assumptions about our knowledge of hierarchical organization. Subsequent application of the Principle of Maximum Entropy allows inferences to be made about specific systems. The utility of the Bayesian method is considered by examining both successes and failures of the hierarchical model. We discuss how Caianiello's original statements suffer from the Mind Projection Fallacy [3] and we restate his assumptions thus widening the applicability of the HMS model. The relationship between inference and statistical physics, described by Jaynes [4], is reiterated with the expectation that this realization will aid the field of complex systems research by moving away from often inappropriate direct application of statistical mechanics to a more encompassing inferential methodology.

Advanced Turbine Technology Applications Project (ATTAP)

NASA Technical Reports Server (NTRS)

1994-01-01

Reports technical effort by AlliedSignal Engines in sixth year of DOE/NASA funded project. Topics include: gas turbine engine design modifications of production APU to incorporate ceramic components; fabrication and processing of silicon nitride blades and nozzles; component and engine testing; and refinement and development of critical ceramics technologies, including: hot corrosion testing and environmental life predictive model; advanced NDE methods for internal flaws in ceramic components; and improved carbon pulverization modeling during impact. ATTAP project is oriented toward developing high-risk technology of ceramic structural component design and fabrication to carry forward to commercial production by 'bridging the gap' between structural ceramics in the laboratory and near-term commercial heat engine application. Current ATTAP project goal is to support accelerated commercialization of advanced, high-temperature engines for hybrid vehicles and other applications. Project objectives are to provide essential and substantial early field experience demonstrating ceramic component reliability and durability in modified, available, gas turbine engine applications; and to scale-up and improve manufacturing processes of ceramic turbine engine components and demonstrate application of these processes in the production environment.

Python Environment for Bayesian Learning: Inferring the Structure of Bayesian Networks from Knowledge and Data

PubMed Central

Shah, Abhik; Woolf, Peter

2009-01-01

Summary In this paper, we introduce pebl, a Python library and application for learning Bayesian network structure from data and prior knowledge that provides features unmatched by alternative software packages: the ability to use interventional data, flexible specification of structural priors, modeling with hidden variables and exploitation of parallel processing. PMID:20161541

Fault Modeling of Extreme Scale Applications Using Machine Learning

DOE Office of Scientific and Technical Information (OSTI.GOV)

Vishnu, Abhinav; Dam, Hubertus van; Tallent, Nathan R.

Faults are commonplace in large scale systems. These systems experience a variety of faults such as transient, permanent and intermittent. Multi-bit faults are typically not corrected by the hardware resulting in an error. Here, this paper attempts to answer an important question: Given a multi-bit fault in main memory, will it result in an application error — and hence a recovery algorithm should be invoked — or can it be safely ignored? We propose an application fault modeling methodology to answer this question. Given a fault signature (a set of attributes comprising of system and application state), we use machinemore » learning to create a model which predicts whether a multibit permanent/transient main memory fault will likely result in error. We present the design elements such as the fault injection methodology for covering important data structures, the application and system attributes which should be used for learning the model, the supervised learning algorithms (and potentially ensembles), and important metrics. Lastly, we use three applications — NWChem, LULESH and SVM — as examples for demonstrating the effectiveness of the proposed fault modeling methodology.« less

Fault Modeling of Extreme Scale Applications Using Machine Learning

DOE PAGES

Vishnu, Abhinav; Dam, Hubertus van; Tallent, Nathan R.; ...

2016-05-01

Faults are commonplace in large scale systems. These systems experience a variety of faults such as transient, permanent and intermittent. Multi-bit faults are typically not corrected by the hardware resulting in an error. Here, this paper attempts to answer an important question: Given a multi-bit fault in main memory, will it result in an application error — and hence a recovery algorithm should be invoked — or can it be safely ignored? We propose an application fault modeling methodology to answer this question. Given a fault signature (a set of attributes comprising of system and application state), we use machinemore » learning to create a model which predicts whether a multibit permanent/transient main memory fault will likely result in error. We present the design elements such as the fault injection methodology for covering important data structures, the application and system attributes which should be used for learning the model, the supervised learning algorithms (and potentially ensembles), and important metrics. Lastly, we use three applications — NWChem, LULESH and SVM — as examples for demonstrating the effectiveness of the proposed fault modeling methodology.« less

Frequentist Model Averaging in Structural Equation Modelling.

PubMed

Jin, Shaobo; Ankargren, Sebastian

2018-06-04

Model selection from a set of candidate models plays an important role in many structural equation modelling applications. However, traditional model selection methods introduce extra randomness that is not accounted for by post-model selection inference. In the current study, we propose a model averaging technique within the frequentist statistical framework. Instead of selecting an optimal model, the contributions of all candidate models are acknowledged. Valid confidence intervals and a [Formula: see text] test statistic are proposed. A simulation study shows that the proposed method is able to produce a robust mean-squared error, a better coverage probability, and a better goodness-of-fit test compared to model selection. It is an interesting compromise between model selection and the full model.

Force on Force Modeling with Formal Task Structures and Dynamic Geometry

DTIC Science & Technology

2017-03-24

task framework, derived using the MMF methodology to structure a complex mission. It further demonstrated the integration of effects from a range of...application methodology was intended to support a combined developmental testing (DT) and operational testing (OT) strategy for selected systems under test... methodology to develop new or modify existing Models and Simulations (M&S) to: • Apply data from multiple, distributed sources (including test

Evaluation of Applicability of a Flare Trigger Model Based on a Comparison of Geometric Structures

NASA Astrophysics Data System (ADS)

Bamba, Yumi; Kusano, Kanya

2018-03-01

The triggering mechanism(s) and critical condition(s) of solar flares are still not completely clarified, although various studies have attempted to elucidate them. We have also proposed a theoretical flare-trigger model based on MHD simulations in which two types of small-scale bipole fields, the so-called opposite polarity (OP) and reversed shear (RS), can trigger flares. In this study, we evaluated the applicability of our flare-trigger model to the observation of 32 flares that were observed by the Solar Dynamics Observatory, by focusing on geometrical structures. We classified the events into six types, including the OP and RS types, based on photospheric magnetic field configuration, presence of precursor brightenings, and shape of the initial flare ribbons. As a result, we found that approximately 30% of the flares were consistent with our flare-trigger model, and the number of RS-type triggered flares is larger than that of the OP type. We found that none of the sampled events contradict our flare model; though, we cannot clearly determine the trigger mechanism of 70% of the flares in this study. We carefully investigated the applicability of our flare-trigger model and the possibility that other models can explain the other 70% of the events. Consequently, we concluded that our flare-trigger model has certainly proposed important conditions for flare-triggering.

An Integrated Framework Advancing Membrane Protein Modeling and Design

PubMed Central

Weitzner, Brian D.; Duran, Amanda M.; Tilley, Drew C.; Elazar, Assaf; Gray, Jeffrey J.

2015-01-01

Membrane proteins are critical functional molecules in the human body, constituting more than 30% of open reading frames in the human genome. Unfortunately, a myriad of difficulties in overexpression and reconstitution into membrane mimetics severely limit our ability to determine their structures. Computational tools are therefore instrumental to membrane protein structure prediction, consequently increasing our understanding of membrane protein function and their role in disease. Here, we describe a general framework facilitating membrane protein modeling and design that combines the scientific principles for membrane protein modeling with the flexible software architecture of Rosetta3. This new framework, called RosettaMP, provides a general membrane representation that interfaces with scoring, conformational sampling, and mutation routines that can be easily combined to create new protocols. To demonstrate the capabilities of this implementation, we developed four proof-of-concept applications for (1) prediction of free energy changes upon mutation; (2) high-resolution structural refinement; (3) protein-protein docking; and (4) assembly of symmetric protein complexes, all in the membrane environment. Preliminary data show that these algorithms can produce meaningful scores and structures. The data also suggest needed improvements to both sampling routines and score functions. Importantly, the applications collectively demonstrate the potential of combining the flexible nature of RosettaMP with the power of Rosetta algorithms to facilitate membrane protein modeling and design. PMID:26325167

Complex Chemical Reaction Networks from Heuristics-Aided Quantum Chemistry.

PubMed

Rappoport, Dmitrij; Galvin, Cooper J; Zubarev, Dmitry Yu; Aspuru-Guzik, Alán

2014-03-11

While structures and reactivities of many small molecules can be computed efficiently and accurately using quantum chemical methods, heuristic approaches remain essential for modeling complex structures and large-scale chemical systems. Here, we present a heuristics-aided quantum chemical methodology applicable to complex chemical reaction networks such as those arising in cell metabolism and prebiotic chemistry. Chemical heuristics offer an expedient way of traversing high-dimensional reactive potential energy surfaces and are combined here with quantum chemical structure optimizations, which yield the structures and energies of the reaction intermediates and products. Application of heuristics-aided quantum chemical methodology to the formose reaction reproduces the experimentally observed reaction products, major reaction pathways, and autocatalytic cycles.

Homology modeling a fast tool for drug discovery: current perspectives.

PubMed

Vyas, V K; Ukawala, R D; Ghate, M; Chintha, C

2012-01-01

Major goal of structural biology involve formation of protein-ligand complexes; in which the protein molecules act energetically in the course of binding. Therefore, perceptive of protein-ligand interaction will be very important for structure based drug design. Lack of knowledge of 3D structures has hindered efforts to understand the binding specificities of ligands with protein. With increasing in modeling software and the growing number of known protein structures, homology modeling is rapidly becoming the method of choice for obtaining 3D coordinates of proteins. Homology modeling is a representation of the similarity of environmental residues at topologically corresponding positions in the reference proteins. In the absence of experimental data, model building on the basis of a known 3D structure of a homologous protein is at present the only reliable method to obtain the structural information. Knowledge of the 3D structures of proteins provides invaluable insights into the molecular basis of their functions. The recent advances in homology modeling, particularly in detecting and aligning sequences with template structures, distant homologues, modeling of loops and side chains as well as detecting errors in a model contributed to consistent prediction of protein structure, which was not possible even several years ago. This review focused on the features and a role of homology modeling in predicting protein structure and described current developments in this field with victorious applications at the different stages of the drug design and discovery.

Homology Modeling a Fast Tool for Drug Discovery: Current Perspectives

PubMed Central

Vyas, V. K.; Ukawala, R. D.; Ghate, M.; Chintha, C.

2012-01-01

Major goal of structural biology involve formation of protein-ligand complexes; in which the protein molecules act energetically in the course of binding. Therefore, perceptive of protein-ligand interaction will be very important for structure based drug design. Lack of knowledge of 3D structures has hindered efforts to understand the binding specificities of ligands with protein. With increasing in modeling software and the growing number of known protein structures, homology modeling is rapidly becoming the method of choice for obtaining 3D coordinates of proteins. Homology modeling is a representation of the similarity of environmental residues at topologically corresponding positions in the reference proteins. In the absence of experimental data, model building on the basis of a known 3D structure of a homologous protein is at present the only reliable method to obtain the structural information. Knowledge of the 3D structures of proteins provides invaluable insights into the molecular basis of their functions. The recent advances in homology modeling, particularly in detecting and aligning sequences with template structures, distant homologues, modeling of loops and side chains as well as detecting errors in a model contributed to consistent prediction of protein structure, which was not possible even several years ago. This review focused on the features and a role of homology modeling in predicting protein structure and described current developments in this field with victorious applications at the different stages of the drug design and discovery. PMID:23204616

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

NASA Astrophysics Data System (ADS)

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.

Multistep modeling of protein structure: application to bungarotoxin

NASA Technical Reports Server (NTRS)

Srinivasan, S.; Shibata, M.; Rein, R.

1986-01-01

Modelling of bungarotoxin in atomic details is presented in this article. The model-building procedure utilizes the low-resolution crystal coordinates of the c-alpha atoms of bungarotoxin, sequence homology within the neurotoxin family, as well as high-resolution x-ray diffraction data of cobratoxin and erabutoxin. Our model-building procedure involves: (a) principles of comparative modelling, (b) embedding procedures of distance geometry, and (c) use of molecular mechanics for optimizing packing. The model is not only consistent with the c-alpha coordinates of crystal structure, but also agrees with solution conformational features of the triple-stranded beta sheet as observed by NOE measurements.

Data Discretization for Novel Relationship Discovery in Information Retrieval.

ERIC Educational Resources Information Center

Benoit, G.

2002-01-01

Describes an information retrieval, visualization, and manipulation model which offers the user multiple ways to exploit the retrieval set, based on weighted query terms, via an interactive interface. Outlines the mathematical model and describes an information retrieval application built on the model to search structured and full-text files.…

Behavioral Scale Reliability and Measurement Invariance Evaluation Using Latent Variable Modeling

ERIC Educational Resources Information Center

Raykov, Tenko

2004-01-01

A latent variable modeling approach to reliability and measurement invariance evaluation for multiple-component measuring instruments is outlined. An initial discussion deals with the limitations of coefficient alpha, a frequently used index of composite reliability. A widely and readily applicable structural modeling framework is next described…

Receptor Surface Models in the Classroom: Introducing Molecular Modeling to Students in a 3-D World

ERIC Educational Resources Information Center

Geldenhuys, Werner J.; Hayes, Michael; Van der Schyf, Cornelis J.; Allen, David D.; Malan, Sarel F.

2007-01-01

A simple, novel and generally applicable method to demonstrate structure-activity associations of a group of biologically interesting compounds in relation to receptor binding is described. This method is useful for undergraduates and graduate students in medicinal chemistry and computer modeling programs.

Discovery of optimal zeolites for challenging separations and chemical transformations using predictive materials modeling

NASA Astrophysics Data System (ADS)

Bai, Peng; Jeon, Mi Young; Ren, Limin; Knight, Chris; Deem, Michael W.; Tsapatsis, Michael; Siepmann, J. Ilja

2015-01-01

Zeolites play numerous important roles in modern petroleum refineries and have the potential to advance the production of fuels and chemical feedstocks from renewable resources. The performance of a zeolite as separation medium and catalyst depends on its framework structure. To date, 213 framework types have been synthesized and >330,000 thermodynamically accessible zeolite structures have been predicted. Hence, identification of optimal zeolites for a given application from the large pool of candidate structures is attractive for accelerating the pace of materials discovery. Here we identify, through a large-scale, multi-step computational screening process, promising zeolite structures for two energy-related applications: the purification of ethanol from fermentation broths and the hydroisomerization of alkanes with 18-30 carbon atoms encountered in petroleum refining. These results demonstrate that predictive modelling and data-driven science can now be applied to solve some of the most challenging separation problems involving highly non-ideal mixtures and highly articulated compounds.

Control systems using modal domain optical fiber sensors for smart structure applications

NASA Technical Reports Server (NTRS)

Lindner, Douglas K.; Reichard, Karl M.

1991-01-01

Recently, a new class of sensors has emerged for structural control which respond to environmental changes over a significant gauge length; these sensors are called distributed-effect sensors. These sensors can be fabricated with spatially varying sensitivity to the distributed measurand, and can be configured to measure a variety of structural parameters which can not be measured directly using point sensors. Examples of distributed-effect sensors include piezoelectric film, holographic sensors, and modal domain optical fiber sensors. Optical fiber sensors are particularly attractive for smart structure applications because they are flexible, have low mass, and can easily be embedded directly into materials. In this paper we describe the implementation of weighted modal domain optical fiber sensors. The mathematical model of the modal domain optical fiber sensor model is described and used to derive an expression for the sensor sensitivity. The effects of parameter variations on the sensor sensitivity are demonstrated to illustrate methods of spatially varying the sensor sensitivity.

A flexural crack model for damage detection in reinforced concrete structures

NASA Astrophysics Data System (ADS)

Hamad, W. I.; Owen, J. S.; Hussein, M. F. M.

2011-07-01

The use of changes in vibration data for damage detection of reinforced concrete structures faces many challenges that obstruct its transition from a research topic to field applications. Among these is the lack of appropriate damage models that can be deployed in the damage detection methods. In this paper, a model of a simply supported reinforced concrete beam with multiple cracks is developed to examine its use for damage detection and structural health monitoring. The cracks are simulated by a model that accounts for crack formation, propagation and closure. The beam model is studied under different dynamic excitations, including sine sweep and single excitation frequency, for various damage levels. The changes in resonant frequency with increasing loads are examined along with the nonlinear vibration characteristics. The model demonstrates that the resonant frequency reduces by about 10% at the application of 30% of the ultimate load and then drops gradually by about 25% at 70% of the ultimate load. The model also illustrates some nonlinearity in the dynamic response of damaged beams. The appearance of super-harmonics shows that the nonlinearity is higher when the damage level is about 35% and then decreases with increasing damage. The restoring force-displacement relationship predicted the reduction in the overall stiffness of the damaged beam. The model quantitatively predicts the experimental vibration behaviour of damaged RC beams and also shows the damage dependency of nonlinear vibration behaviour.

Absorbable energy monitoring scheme: new design protocol to test vehicle structural crashworthiness.

PubMed

Ofochebe, Sunday M; Enibe, Samuel O; Ozoegwu, Chigbogu G

2016-05-01

In vehicle crashworthiness design optimization detailed system evaluation capable of producing reliable results are basically achieved through high-order numerical computational (HNC) models such as the dynamic finite element model, mesh-free model etc. However the application of these models especially during optimization studies is basically challenged by their inherent high demand on computational resources, conditional stability of the solution process, and lack of knowledge of viable parameter range for detailed optimization studies. The absorbable energy monitoring scheme (AEMS) presented in this paper suggests a new design protocol that attempts to overcome such problems in evaluation of vehicle structure for crashworthiness. The implementation of the AEMS involves studying crash performance of vehicle components at various absorbable energy ratios based on a 2DOF lumped-mass-spring (LMS) vehicle impact model. This allows for prompt prediction of useful parameter values in a given design problem. The application of the classical one-dimensional LMS model in vehicle crash analysis is further improved in the present work by developing a critical load matching criterion which allows for quantitative interpretation of the results of the abstract model in a typical vehicle crash design. The adequacy of the proposed AEMS for preliminary vehicle crashworthiness design is demonstrated in this paper, however its extension to full-scale design-optimization problem involving full vehicle model that shows greater structural detail requires more theoretical development.

Isolating the anthropogenic component of Arctic warming

DOE PAGES

Chylek, Petr; Hengartner, Nicholas; Lesins, Glen; ...

2014-05-28

Structural equation modeling is used in statistical applications as both confirmatory and exploratory modeling to test models and to suggest the most plausible explanation for a relationship between the independent and the dependent variables. Although structural analysis cannot prove causation, it can suggest the most plausible set of factors that influence the observed variable. Here, we apply structural model analysis to the annual mean Arctic surface air temperature from 1900 to 2012 to find the most effective set of predictors and to isolate the anthropogenic component of the recent Arctic warming by subtracting the effects of natural forcing and variabilitymore » from the observed temperature. We also find that anthropogenic greenhouse gases and aerosols radiative forcing and the Atlantic Multidecadal Oscillation internal mode dominate Arctic temperature variability. Finally, our structural model analysis of observational data suggests that about half of the recent Arctic warming of 0.64 K/decade may have anthropogenic causes.« less

Modelling of double air-bridged structured inductor implemented by a GaAs integrated passive device manufacturing process

NASA Astrophysics Data System (ADS)

Li, Yang; Yao, Zhao; Zhang, Chun-Wei; Fu, Xiao-Qian; Li, Zhi-Ming; Li, Nian-Qiang; Wang, Cong

2017-05-01

In order to provide excellent performance and show the development of a complicated structure in a module and system, this paper presents a double air-bridge-structured symmetrical differential inductor based on integrated passive device technology. Corresponding to the proposed complicated structure, a new manufacturing process fabricated on a high-resistivity GaAs substrate is described in detail. Frequency-independent physical models are presented with lump elements and the results of skin effect-based measurements. Finally, some key features of the inductor are compared; good agreement between the measurements and modeled circuit fully verifies the validity of the proposed modeling approach. Meanwhile, we also present a comparison of different coil turns for inductor performance. The proposed work can provide a good solution for the design, fabrication, modeling, and practical application of radio-frequency modules and systems.

Application of Transfer Matrix Approach to Modeling and Decentralized Control of Lattice-Based Structures

NASA Technical Reports Server (NTRS)

Cramer, Nick; Swei, Sean Shan-Min; Cheung, Kenny; Teodorescu, Mircea

2015-01-01

This paper presents a modeling and control of aerostructure developed by lattice-based cellular materials/components. The proposed aerostructure concept leverages a building block strategy for lattice-based components which provide great adaptability to varying ight scenarios, the needs of which are essential for in- ight wing shaping control. A decentralized structural control design is proposed that utilizes discrete-time lumped mass transfer matrix method (DT-LM-TMM). The objective is to develop an e ective reduced order model through DT-LM-TMM that can be used to design a decentralized controller for the structural control of a wing. The proposed approach developed in this paper shows that, as far as the performance of overall structural system is concerned, the reduced order model can be as e ective as the full order model in designing an optimal stabilizing controller.

R2R--software to speed the depiction of aesthetic consensus RNA secondary structures.

PubMed

Weinberg, Zasha; Breaker, Ronald R

2011-01-04

With continuing identification of novel structured noncoding RNAs, there is an increasing need to create schematic diagrams showing the consensus features of these molecules. RNA structural diagrams are typically made either with general-purpose drawing programs like Adobe Illustrator, or with automated or interactive programs specific to RNA. Unfortunately, the use of applications like Illustrator is extremely time consuming, while existing RNA-specific programs produce figures that are useful, but usually not of the same aesthetic quality as those produced at great cost in Illustrator. Additionally, most existing RNA-specific applications are designed for drawing single RNA molecules, not consensus diagrams. We created R2R, a computer program that facilitates the generation of aesthetic and readable drawings of RNA consensus diagrams in a fraction of the time required with general-purpose drawing programs. Since the inference of a consensus RNA structure typically requires a multiple-sequence alignment, the R2R user annotates the alignment with commands directing the layout and annotation of the RNA. R2R creates SVG or PDF output that can be imported into Adobe Illustrator, Inkscape or CorelDRAW. R2R can be used to create consensus sequence and secondary structure models for novel RNA structures or to revise models when new representatives for known RNA classes become available. Although R2R does not currently have a graphical user interface, it has proven useful in our efforts to create 100 schematic models of distinct noncoding RNA classes. R2R makes it possible to obtain high-quality drawings of the consensus sequence and structural models of many diverse RNA structures with a more practical amount of effort. R2R software is available at http://breaker.research.yale.edu/R2R and as an Additional file.

SDSL-ESR-based protein structure characterization.

PubMed

Strancar, Janez; Kavalenka, Aleh; Urbancic, Iztok; Ljubetic, Ajasja; Hemminga, Marcus A

2010-03-01

As proteins are key molecules in living cells, knowledge about their structure can provide important insights and applications in science, biotechnology, and medicine. However, many protein structures are still a big challenge for existing high-resolution structure-determination methods, as can be seen in the number of protein structures published in the Protein Data Bank. This is especially the case for less-ordered, more hydrophobic and more flexible protein systems. The lack of efficient methods for structure determination calls for urgent development of a new class of biophysical techniques. This work attempts to address this problem with a novel combination of site-directed spin labelling electron spin resonance spectroscopy (SDSL-ESR) and protein structure modelling, which is coupled by restriction of the conformational spaces of the amino acid side chains. Comparison of the application to four different protein systems enables us to generalize the new method and to establish a general procedure for determination of protein structure.

A matrix dependent/algebraic multigrid approach for extruded meshes with applications to ice sheet modeling

DOE PAGES

Tuminaro, Raymond S.; Perego, Mauro; Tezaur, Irina Kalashnikova; ...

2016-10-06

A multigrid method is proposed that combines ideas from matrix dependent multigrid for structured grids and algebraic multigrid for unstructured grids. It targets problems where a three-dimensional mesh can be viewed as an extrusion of a two-dimensional, unstructured mesh in a third dimension. Our motivation comes from the modeling of thin structures via finite elements and, more specifically, the modeling of ice sheets. Extruded meshes are relatively common for thin structures and often give rise to anisotropic problems when the thin direction mesh spacing is much smaller than the broad direction mesh spacing. Within our approach, the first few multigridmore » hierarchy levels are obtained by applying matrix dependent multigrid to semicoarsen in a structured thin direction fashion. After sufficient structured coarsening, the resulting mesh contains only a single layer corresponding to a two-dimensional, unstructured mesh. Algebraic multigrid can then be employed in a standard manner to create further coarse levels, as the anisotropic phenomena is no longer present in the single layer problem. The overall approach remains fully algebraic, with the minor exception that some additional information is needed to determine the extruded direction. Furthermore, this facilitates integration of the solver with a variety of different extruded mesh applications.« less

Prediction of Shock-Induced Cavitation in Water

NASA Astrophysics Data System (ADS)

Brundage, Aaron

2013-06-01

Fluid-structure interaction problems that require estimating the response of thin structures within fluids to shock loading has wide applicability. For example, these problems may include underwater explosions and the dynamic response of ships and submarines; and biological applications such as Traumatic Brain Injury (TBI) and wound ballistics. In all of these applications the process of cavitation, where small cavities with dissolved gases or vapor are formed as the local pressure drops below the vapor pressure due to shock hydrodynamics, can cause significant damage to the surrounding thin structures or membranes if these bubbles collapse, generating additional shock loading. Hence, a two-phase equation of state (EOS) with three distinct regions of compression, expansion, and tension was developed to model shock-induced cavitation. This EOS was evaluated by comparing data from pressure and temperature shock Hugoniot measurements for water up to 400 kbar, and data from ultrasonic pressure measurements in tension to -0.3 kbar, to simulated responses from CTH, an Eulerian, finite volume shock code. The new EOS model showed significant improvement over pre-existing CTH models such as the SESAME EOS for capturing cavitation. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy/NNSA under contract DE-AC04-94AL85000.

APPLICATION OF CFD SIMULATIONS FOR SHORT-RANGE ATMOSPHERIC DISPERSION OVER OPEN FIELDS AND WITHIN ARRAYS OF BUILDINGS

EPA Science Inventory

Computational Fluid Dynamics (CFD) techniques are increasingly being applied to air quality modeling of short-range dispersion, especially the flow and dispersion around buildings and other geometrically complex structures. The proper application and accuracy of such CFD techniqu...

Challenges in structural approaches to cell modeling

PubMed Central

Im, Wonpil; Liang, Jie; Olson, Arthur; Zhou, Huan-Xiang; Vajda, Sandor; Vakser, Ilya A.

2016-01-01

Computational modeling is essential for structural characterization of biomolecular mechanisms across the broad spectrum of scales. Adequate understanding of biomolecular mechanisms inherently involves our ability to model them. Structural modeling of individual biomolecules and their interactions has been rapidly progressing. However, in terms of the broader picture, the focus is shifting toward larger systems, up to the level of a cell. Such modeling involves a more dynamic and realistic representation of the interactomes in vivo, in a crowded cellular environment, as well as membranes and membrane proteins, and other cellular components. Structural modeling of a cell complements computational approaches to cellular mechanisms based on differential equations, graph models, and other techniques to model biological networks, imaging data, etc. Structural modeling along with other computational and experimental approaches will provide a fundamental understanding of life at the molecular level and lead to important applications to biology and medicine. A cross section of diverse approaches presented in this review illustrates the developing shift from the structural modeling of individual molecules to that of cell biology. Studies in several related areas are covered: biological networks; automated construction of three-dimensional cell models using experimental data; modeling of protein complexes; prediction of non-specific and transient protein interactions; thermodynamic and kinetic effects of crowding; cellular membrane modeling; and modeling of chromosomes. The review presents an expert opinion on the current state-of-the-art in these various aspects of structural modeling in cellular biology, and the prospects of future developments in this emerging field. PMID:27255863

Structural Studies of Silver Nanoparticles Obtained Through Single-Step Green Synthesis

NASA Astrophysics Data System (ADS)

Prasad Peddi, Siva; Abdallah Sadeh, Bilal

2015-10-01

Green synthesis of silver Nanoparticles (AGNP's) has been the most prominent among the metallic nanoparticles for research for over a decade and half now due to both the simplicity of preparation and the applicability of biological species with extensive applications in medicine and biotechnology to reduce and trap the particles. The current article uses Eclipta Prostrata leaf extract as the biological species to cap the AGNP's through a single step process. The characterization data obtained was used for the analysis of the sample structure. The article emphasizes the disquisition of their shape and size of the lattice parameters and proposes a general scheme and a mathematical model for the analysis of their dependence. The data of the synthesized AGNP's has been used to advantage through the introduction of a structural shape factor for the crystalline nanoparticles. The properties of the structure of the AGNP's proposed and evaluated through a theoretical model was undeviating with the experimental consequences. This modus operandi gives scope for the structural studies of ultrafine particles prepared using biological methods.

Multistep modeling of protein structure: application towards refinement of tyr-tRNA synthetase

NASA Technical Reports Server (NTRS)

Srinivasan, S.; Shibata, M.; Roychoudhury, M.; Rein, R.

1987-01-01

The scope of multistep modeling (MSM) is expanding by adding a least-squares minimization step in the procedure to fit backbone reconstruction consistent with a set of C-alpha coordinates. The analytical solution of Phi and Psi angles, that fits a C-alpha x-ray coordinate is used for tyr-tRNA synthetase. Phi and Psi angles for the region where the above mentioned method fails, are obtained by minimizing the difference in C-alpha distances between the computed model and the crystal structure in a least-squares sense. We present a stepwise application of this part of MSM to the determination of the complete backbone geometry of the 321 N terminal residues of tyrosine tRNA synthetase to a root mean square deviation of 0.47 angstroms from the crystallographic C-alpha coordinates.

CFD-PBM coupled simulation of a nanobubble generator with honeycomb structure

NASA Astrophysics Data System (ADS)

Ren, F.; Noda, N. A.; Ueda, T.; Sano, Y.; Takase, Y.; Umekage, T.; Yonezawa, Y.; Tanaka, H.

2018-06-01

In recent years, nanobubble technologies have drawn great attention due to their wide applications in many fields of science and technology. The nitrogen nanobubble water circulation can be used to slow the progressions of oxidation and spoilage for the seafood long- term storage. From previous studies, a kind of honeycomb structure for high-efficiency nanobubble generation has been proposed. In this paper, the bubbly flow in the honeycomb structure was studied. The numerical simulations of honeycomb structure were performed by using a computational fluid dynamics–population balance model (CFD-PBM) coupled model. The numerical model was based on the Eulerian multiphase model and the population balance model (PBM) was used to calculate the gas bubble size distribution. The bubble coalescence and breakage were included. Considering the effect of bubble diameter on the fluid flow, the phase interactions were coupled with the PBM. The bubble size distributions in the honeycomb structure under different work conditions were predicted. The experimental results were compared with the simulation predictions.

Mechanical Model Development for Composite Structural Supercapacitors

NASA Technical Reports Server (NTRS)

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.

Structure-preserving model reduction of large-scale logistics networks. Applications for supply chains

NASA Astrophysics Data System (ADS)

Scholz-Reiter, B.; Wirth, F.; Dashkovskiy, S.; Makuschewitz, T.; Schönlein, M.; Kosmykov, M.

2011-12-01

We investigate the problem of model reduction with a view to large-scale logistics networks, specifically supply chains. Such networks are modeled by means of graphs, which describe the structure of material flow. An aim of the proposed model reduction procedure is to preserve important features within the network. As a new methodology we introduce the LogRank as a measure for the importance of locations, which is based on the structure of the flows within the network. We argue that these properties reflect relative importance of locations. Based on the LogRank we identify subgraphs of the network that can be neglected or aggregated. The effect of this is discussed for a few motifs. Using this approach we present a meta algorithm for structure-preserving model reduction that can be adapted to different mathematical modeling frameworks. The capabilities of the approach are demonstrated with a test case, where a logistics network is modeled as a Jackson network, i.e., a particular type of queueing network.

Sequence-structure relationships in RNA loops: establishing the basis for loop homology modeling.

PubMed

Schudoma, Christian; May, Patrick; Nikiforova, Viktoria; Walther, Dirk

2010-01-01

The specific function of RNA molecules frequently resides in their seemingly unstructured loop regions. We performed a systematic analysis of RNA loops extracted from experimentally determined three-dimensional structures of RNA molecules. A comprehensive loop-structure data set was created and organized into distinct clusters based on structural and sequence similarity. We detected clear evidence of the hallmark of homology present in the sequence-structure relationships in loops. Loops differing by <25% in sequence identity fold into very similar structures. Thus, our results support the application of homology modeling for RNA loop model building. We established a threshold that may guide the sequence divergence-based selection of template structures for RNA loop homology modeling. Of all possible sequences that are, under the assumption of isosteric relationships, theoretically compatible with actual sequences observed in RNA structures, only a small fraction is contained in the Rfam database of RNA sequences and classes implying that the actual RNA loop space may consist of a limited number of unique loop structures and conserved sequences. The loop-structure data sets are made available via an online database, RLooM. RLooM also offers functionalities for the modeling of RNA loop structures in support of RNA engineering and design efforts.

Shape Memory Alloy Modeling and Applications to Porous and Composite Structures

NASA Astrophysics Data System (ADS)

Zhu, Pingping

There has been a growing concern about an exciting class of advanced material -- shape memory alloys (SMAs) since their discovery several decades ago. SMAs exhibit large reversible stresses and strains owing to a thermoelastic phase transformation. They have been widely used in many engineering fields including aerospace, biomedical, and automotive engineering, especially as sensors, actuators, bone implants and deployable switches. The behavior of SMAs is very complex due to the coupling between thermal and mechanical effects. Theoretical and computational tools are used in this dissertation to investigate the mechanical behavior of SMA and its related structures for seeking better and wider application of this material. In the first part of this dissertation, we proposed an improved macroscopic phenomenological constitutive model of SMA that accounts for all major mechanical behaviors including elasticity, phase transformation, reorientation and plasticity. The model is based on some previous work developed in the Brinson group, and the current efforts are focused on plasticity, the application of a pre-defined strain, unification of notations, and other coding-related work. A user subroutine script VUMAT is developed to implement the constitutive model to the commercial finite element software Abaqus. Typical simulation results based on the model are presented, as well as verification with some experimental results. In the second part, we apply the developed constitutive model to a series of two-dimensional SMA plates with structured arrays of pores to investigate the structural response, especially the stress, strain, phase transformation, and plastic fields. Results are documented about the coupling of the elastic, transformation and plastic fields about the arrays of pores. Theoretical and experimental DIC results are also utilized to validate some simulation results. Conclusions are then drawn to provide understanding in the effect of pores and the underlying mechanism of pore interactions in the SMA foams. Additionally, the influence of geometric features including the number, size and locations of pores are studied to guide the design and optimization of porous SMAs. Thirdly, modeling and simulation are performed on a series of cracked self-healing SMA composite systems. These composites are to be applied in aeronautic structures where fatigue crack initiation and propagation is a significant safety and economic concern, based on a liquid-assisted SMA self-healing technology. We develop a modeling approach in Abaqus to create composite models with the as-is or pre-strained SMA wires. The modeling approach is validated by two simulation cases following the experiment setups. The amount of crack closure in the SMA-reinforced MMC is then focused, especially on the role of the SMA reinforcement, the softening property of the matrix, and the effect of pre-strain in the SMA. Composites with various geometric configurations of SMA are also created to study how the number, location, length and orientation of the SMA wires would affect the crack closure and self-healing behavior. These studies, from three aspects, provide deep insights to SMA and its related applications from the modeling and simulation point of view, which can further guide the development and application of this unique material.

THE OPEP COARSE-GRAINED PROTEIN MODEL: FROM SINGLE MOLECULES, AMYLOID FORMATION, ROLE OF MACROMOLECULAR CROWDING AND HYDRODYNAMICS TO RNA/DNA COMPLEXES

PubMed Central

Sterpone, Fabio; Melchionna, Simone; Tuffery, Pierre; Pasquali, Samuela; Mousseau, Normand; Cragnolini, Tristan; Chebaro, Yassmine; Saint-Pierre, Jean-Francois; Kalimeri, Maria; Barducci, Alessandro; Laurin, Yohan; Tek, Alex; Baaden, Marc; Nguyen, Phuong Hoang; Derreumaux, Philippe

2015-01-01

The OPEP coarse-grained protein model has been applied to a wide range of applications since its first release 15 years ago. The model, which combines energetic and structural accuracy and chemical specificity, allows studying single protein properties, DNA/RNA complexes, amyloid fibril formation and protein suspensions in a crowded environment. Here we first review the current state of the model and the most exciting applications using advanced conformational sampling methods. We then present the current limitations and a perspective on the on-going developments. PMID:24759934

Equicontrollability and its application to model-following and decoupling.

NASA Technical Reports Server (NTRS)

Curran, R. T.

1971-01-01

Discussion of 'model following,' a term used to describe a class of problems characterized by having two dynamic systems, generically known as the 'plant' and the 'model,' it being required to find a controller to attach to the plant so as to make the resultant compensated system behave, in an input/output sense, in the same way as the model. The approach presented to the problem takes a structural point of view. The result is a complex but informative definition which solves the problem as posed. The application of both the algorithm and its basis, equicontrollability, to the decoupling problem is considered.

The harmonic oscillator and nuclear physics

NASA Technical Reports Server (NTRS)

Rowe, D. J.

1993-01-01

The three-dimensional harmonic oscillator plays a central role in nuclear physics. It provides the underlying structure of the independent-particle shell model and gives rise to the dynamical group structures on which models of nuclear collective motion are based. It is shown that the three-dimensional harmonic oscillator features a rich variety of coherent states, including vibrations of the monopole, dipole, and quadrupole types, and rotations of the rigid flow, vortex flow, and irrotational flow types. Nuclear collective states exhibit all of these flows. It is also shown that the coherent state representations, which have their origins in applications to the dynamical groups of the simple harmonic oscillator, can be extended to vector coherent state representations with a much wider range of applicability. As a result, coherent state theory and vector coherent state theory become powerful tools in the application of algebraic methods in physics.

Design and verification of distributed logic controllers with application of Petri nets

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wiśniewski, Remigiusz; Grobelna, Iwona; Grobelny, Michał

2015-12-31

The paper deals with the designing and verification of distributed logic controllers. The control system is initially modelled with Petri nets and formally verified against structural and behavioral properties with the application of the temporal logic and model checking technique. After that it is decomposed into separate sequential automata that are working concurrently. Each of them is re-verified and if the validation is successful, the system can be finally implemented.

Design and verification of distributed logic controllers with application of Petri nets

NASA Astrophysics Data System (ADS)

Wiśniewski, Remigiusz; Grobelna, Iwona; Grobelny, Michał; Wiśniewska, Monika

2015-12-01

The paper deals with the designing and verification of distributed logic controllers. The control system is initially modelled with Petri nets and formally verified against structural and behavioral properties with the application of the temporal logic and model checking technique. After that it is decomposed into separate sequential automata that are working concurrently. Each of them is re-verified and if the validation is successful, the system can be finally implemented.

The use of photogrammetric and stereophotogrammetric methods in aerodynamic experiments

NASA Astrophysics Data System (ADS)

Shmyreva, V. N.; Iakovlev, V. A.

The possibilities afforded by photogrammetry and stereophotogrammetry in current aerodynamic experiments, methods of image recording, and observation data processing are briefly reviewed. Some specific experiments illustrating the application of stereophotogrammetry are described. The applications discussed include the monitoring of model position in wind tunnels, determination of model deformations and displacements, determination of the deformations of real structural elements in static strength tests, and solution of a variety of problems in hydrodynamics.

Generating Performance Models for Irregular Applications

DOE Office of Scientific and Technical Information (OSTI.GOV)

Friese, Ryan D.; Tallent, Nathan R.; Vishnu, Abhinav

2017-05-30

Many applications have irregular behavior --- non-uniform input data, input-dependent solvers, irregular memory accesses, unbiased branches --- that cannot be captured using today's automated performance modeling techniques. We describe new hierarchical critical path analyses for the \\Palm model generation tool. To create a model's structure, we capture tasks along representative MPI critical paths. We create a histogram of critical tasks with parameterized task arguments and instance counts. To model each task, we identify hot instruction-level sub-paths and model each sub-path based on data flow, instruction scheduling, and data locality. We describe application models that generate accurate predictions for strong scalingmore » when varying CPU speed, cache speed, memory speed, and architecture. We present results for the Sweep3D neutron transport benchmark; Page Rank on multiple graphs; Support Vector Machine with pruning; and PFLOTRAN's reactive flow/transport solver with domain-induced load imbalance.« less

Plant growth and architectural modelling and its applications

PubMed Central

Guo, Yan; Fourcaud, Thierry; Jaeger, Marc; Zhang, Xiaopeng; Li, Baoguo

2011-01-01

Over the last decade, a growing number of scientists around the world have invested in research on plant growth and architectural modelling and applications (often abbreviated to plant modelling and applications, PMA). By combining physical and biological processes, spatially explicit models have shown their ability to help in understanding plant–environment interactions. This Special Issue on plant growth modelling presents new information within this topic, which are summarized in this preface. Research results for a variety of plant species growing in the field, in greenhouses and in natural environments are presented. Various models and simulation platforms are developed in this field of research, opening new features to a wider community of researchers and end users. New modelling technologies relating to the structure and function of plant shoots and root systems are explored from the cellular to the whole-plant and plant-community levels. PMID:21638797

Advanced stress analysis methods applicable to turbine engine structures

NASA Technical Reports Server (NTRS)

Pian, Theodore H. H.

1991-01-01

The following tasks on the study of advanced stress analysis methods applicable to turbine engine structures are described: (1) constructions of special elements which contain traction-free circular boundaries; (2) formulation of new version of mixed variational principles and new version of hybrid stress elements; (3) establishment of methods for suppression of kinematic deformation modes; (4) construction of semiLoof plate and shell elements by assumed stress hybrid method; and (5) elastic-plastic analysis by viscoplasticity theory using the mechanical subelement model.