WorldWideScience

Sample records for residue-resolved structure interactions

  1. Modeling Fluid Structure Interaction

    National Research Council Canada - National Science Library

    Benaroya, Haym

    2000-01-01

    The principal goal of this program is on integrating experiments with analytical modeling to develop physics-based reduced-order analytical models of nonlinear fluid-structure interactions in articulated naval platforms...

  2. Structure from interaction events

    NARCIS (Netherlands)

    de Nooy, W.

    2015-01-01

    In this contribution to the colloquium, I argue why and how I lost interest in the overall structure of social networks even though Big Data techniques are increasingly simplifying the collection, organisation, and analysis of ever larger networks. The challenge that Big Data techniques pose to the

  3. Dynamic Soil-Structure-Interaction

    DEFF Research Database (Denmark)

    Kellezi, Lindita

    1998-01-01

    The aim of this thesis is to investigate and develop alternative methods of analyzing problems in dynamic soil-structure-interaction. The main focus is the major difficulty posed by such an analysis - the phenomenon of waves which radiate outward from the excited structures towards infinity...... is formulated based on the one-dimensional wave propagation in a cone model resulting in the amplitude decay of inversely proportion to the distance travelled. So the transmitting boundary for body waves is constructed in analogy to springs and dashpots connecting the boundary nodes to a rigid base...... represents an attempt to construct a local stiffness for the unbounded soil domain....

  4. Viscoelastic Fluid-Structure Interactions

    Science.gov (United States)

    Dey, Anita; Rothstein, Jonathan; Modarres-Sadeghi, Yahya

    2015-11-01

    When a flexible object such as an elastic sheet is placed perpendicular to the flow of a Newtonian fluid, the structure can oscillate due to the shedding of separated vortices at high Reynolds numbers. If the same flexible object is placed in non-Newtonian flows, however, the structure's response is still unknown. Unlike Newtonian fluids, the flow of viscoelastic fluids can become unstable at infinitesimal Reynolds numbers due to a purely elastic flow instability. In this talk, we will discuss the fluid-structure interaction between a wormlike micelle solution at high Weissenberg number and a flexible elastic sheet in cross flow. Elastic flow instabilities have been observed for wormlike micelle solutions in a number of flows. Here we will study what happens when elastic flow instabilities occur in the vicinity of a thin flexible polymer sheet. We will show that the time varying fluid forces exerted on the structure can grow large enough to cause a structural motion which can in turn feed back into the flow to modify the flow instability. The static and dynamic responses of the flexible sheet will be presented for a series of flexible sheets oriented at different angles to the flow direction, for varying fluid flow rates, and for varying fluid compositions and properties. In addition, measurements of velocity profiles and flow-induced birefringence will be presented in order to quantify the time variation of the flow field and the state of stress in the fluid.

  5. Structure-soil-structure interaction of nuclear structures

    International Nuclear Information System (INIS)

    Snyder, M.D.; Shaw, D.E.; Hall, J.R. Jr.

    1975-01-01

    Structure-to-structure interaction resulting from coupling of the foundations through the soil has traditionally been neglected in the seismic analysis of nuclear power plants. This paper examines the phenomenon and available methods of analytical treatment, including finite element and lumped parameter methods. Finite element techniques have lead to the treatment of through soil coupling of structural foundations using two dimensional plane strain models owing to the difficulty of considering three dimensional finite element models. The coupling problem is treated by means of a lumped parameter model derived from elastic half-space considerations. Consequently, the method is applicable to the interaction of any number of foundations and allows the simultaneous application of tri-directional excitation. The method entails the idealization of interacting structures as lumped mass/shear beams with lumped soil springs and dampers beneath each foundation plus a coupling matrix between the interacting foundations. Utilizing classical elastic half-space methods, the individual foundation soil springs and dampers may be derived, accounting for the effects of embedment and soil layering, analogous to the methods used for single soil-structure, interaction problems. The coupling matrix is derived by generating influence coefficients based on the geometric relationship of the structures using classical half-space solutions. The influence coefficients form the coupling flexibility matrix which is inverted to yield the coupling matrix for the lumped parameter model

  6. QCD Structure of Nuclear Interactions

    Energy Technology Data Exchange (ETDEWEB)

    Granados, Carlos [Florida Intl Univ., Miami, FL (United States)

    2011-05-25

    This dissertation investigated selected processes involving baryons and nuclei in hard scattering reactions. Through these processes, this work explored the constituent structure of baryons and the mechanisms through which the interactions between these constituents ultimately control the selected reactions. First, hard nucleon-nucleon elastic scattering was studied considering the quark exchange (QE) between the nucleons to be the dominant mechanism of interaction in the constituent picture. It was found that an angular asymmetry exhibited by proton-neutron (pn) elastic scattering data is explained within this framework if a quark-diquark picture dominates the nucleon's structure instead of a more traditional SU(6) model. The latter yields an asymmetry around 90 deg center of mass scattering with a sign opposite to what is experimentally observed. The second process is the hard breakup by a photon of a nucleon-nucleon system in light nuclei. Proton-proton (pp) and pn breakup in 3He, and double Δ-isobars production in deuteron breakup were analyzed in the hard rescattering model (HRM), which in conjunction with the QE mechanism provides a QCD description of the reaction. Cross sections for both channels in 3He photodisintegration were computed without the need of a fitting parameter. The results presented here for pp breakup show excellent agreement with recent experimental data. In double Δ-isobars production in deuteron breakup, HRM angular distributions for the two double Δ channels were compared to the pn channel and to each other. An important prediction from this study is that the Δ++ Δ- channel consistently dominates Δ+Δ0, which is in contrast with models that unlike the HRM consider a double Δ system in the initial state of the interaction. For such models both channels should have the same strength.

  7. Fluid structure interaction with sloshing

    International Nuclear Information System (INIS)

    Belytschko, T.B.; Liu, W.K.

    1983-01-01

    In this paper, three different formulations for fluid-structure interaction with sloshing are discussed. When the surface displacements are large, the problems are nonlinear, and Arbitrary Lagrangian Eulerian (ALE) methods and direct time integration are most appropriate. Explicit direct time integration has the disadvantage of a limited time-step whereas implicit method has the disadvantage of nonconvergence and high computational cost. A mixed time method which employs E-mE (explicit-multiple explicit) integration for obtaining the velocity and free surface displacement and I-mI (implicit-multiple implicit) integration for obtaining the pressure is described. An iterative solution procedure is used to enhance the efficiency of the implicit solution procedure as well as to reduce the computer storage. For linear problems, the surface wave effects can be approximated by a perturbation method on the body force term if the surface displacements are small. Furthermore, if the fluid can be idealized as inviscid, incompressible and irrotational, the pressure, velocity, and free surface displacement variables can be eliminated via a velocity potential formulation. (orig.)

  8. Topology of RNA-RNA Interaction Structures

    DEFF Research Database (Denmark)

    Andersen, Hans Jørgen; Huang, Fenix Wenda; Penner, Robert

    2012-01-01

    Abstract The topological filtration of interacting RNA complexes is studied, and the role is analyzed of certain diagrams called irreducible shadows, which form suitable building blocks for more general structures. We prove that, for two interacting RNAs, called interaction structures, there exist...

  9. Soil-structure interaction including nonlinear soil

    OpenAIRE

    Gicev, Vlado

    2008-01-01

    There are two types of models of soil-structure system depending upon the rigidity of foundation: models with rigid and models with flexible foundation. Main features of the soil-structure interaction phenomenon: -wave scattering, -radiation damping, -reduction of the system frequencies. In this presentation, the influence of interaction on the development of nonlinear zones in the soil is studied.

  10. Modeling of soil-water-structure interaction

    DEFF Research Database (Denmark)

    Tang, Tian

    to dynamic ocean waves. The goal of this research project is to develop numerical soil models for computing realistic seabed response in the interacting offshore environment, where ocean waves, seabed and offshore structure highly interact with each other. The seabed soil models developed are based...... as the developed nonlinear soil displacements and stresses under monotonic and cyclic loading. With the FVM nonlinear coupled soil models as a basis, multiphysics modeling of wave-seabed-structure interaction is carried out. The computations are done in an open source code environment, OpenFOAM, where FVM models...... of Computational Fluid Dynamics (CFD) and structural mechanics are available. The interaction in the system is modeled in a 1-way manner: First detailed free surface CFD calculations are executed to obtain a realistic wave field around a given structure. Then the dynamic structural response, due to the motions...

  11. EPRI research on soil-structure interaction

    International Nuclear Information System (INIS)

    Tang, H.T.

    1986-01-01

    The paper briefly discusses the background of soil-structure interaction research and identifies the nuclear industry's need for a realistic, experimentally qualified soil-structure interaction analysis methodology for nuclear power plant design to reduce excessive conservatism and stabilize the licensing process. EPRI research and joint research efforts between EPRI and Niagara Mohawk Power Corporation, Taiwan Power Company, and the Japanese Century Research Institute for Electric Power Industry are outlined. As a result of these and other research efforts, improvement in soil-structure interactions methodologies is being realized

  12. Toolkit Design for Interactive Structured Graphics

    National Research Council Canada - National Science Library

    Bederson, Benjamin B; Grosjean, Jesse; Meyer, Jon

    2003-01-01

    .... We describe Jazz (a polylithic toolkit) and Piccolo (a monolithic toolkit), each of which we built to support interactive 2D structured graphics applications in general, and Zoomable User Interface applications in particular...

  13. PSAIA – Protein Structure and Interaction Analyzer

    Directory of Open Access Journals (Sweden)

    Vlahoviček Kristian

    2008-04-01

    Full Text Available Abstract Background PSAIA (Protein Structure and Interaction Analyzer was developed to compute geometric parameters for large sets of protein structures in order to predict and investigate protein-protein interaction sites. Results In addition to most relevant established algorithms, PSAIA offers a new method PIADA (Protein Interaction Atom Distance Algorithm for the determination of residue interaction pairs. We found that PIADA produced more satisfactory results than comparable algorithms implemented in PSAIA. Particular advantages of PSAIA include its capacity to combine different methods to detect the locations and types of interactions between residues and its ability, without any further automation steps, to handle large numbers of protein structures and complexes. Generally, the integration of a variety of methods enables PSAIA to offer easier automation of analysis and greater reliability of results. PSAIA can be used either via a graphical user interface or from the command-line. Results are generated in either tabular or XML format. Conclusion In a straightforward fashion and for large sets of protein structures, PSAIA enables the calculation of protein geometric parameters and the determination of location and type for protein-protein interaction sites. XML formatted output enables easy conversion of results to various formats suitable for statistic analysis. Results from smaller data sets demonstrated the influence of geometry on protein interaction sites. Comprehensive analysis of properties of large data sets lead to new information useful in the prediction of protein-protein interaction sites.

  14. Internuclear interaction and cluster structure

    International Nuclear Information System (INIS)

    Horiuchi, Akira

    1992-01-01

    As compared with the establishment of nucleon-nucleus optical potential, nucleus-nucleus optical potential has been in the state far away from being established for long time. The reason is explained. The microscopic shallow potential has been unable to reproduce the features. From the orthogonal condition model based on the microscopic cluster theory, deep potential can be supported. The exchange potential in the double folding model is attraction, and with the rise of incident energy, the potential becomes shallower. In the microscopic shallow potential, the exchange potential is large repulsion, and becomes deeper with the rise of incident energy. One of the major purposes of the microscopic study on internuclear potential is to answer theoretically about the most basic properties of the internuclear potential. The authors used the RGM (resonating group method)-WKB (Wentzel-Kramers-Brillouin) method for the microscopic research on internuclear potential. This method is discussed. The authors verified that the RGM reproduced well the scattering data in wide energy range in α+O-16 and α+Ca-40 systems. The nucleus-nucleus potential determined in wide incident energy range gives the unified description of scattering at high energy and cluster structure at low energy. The typical examples are shown. (K.I.)

  15. Shockwave Interaction with a Cylindrical Structure

    Science.gov (United States)

    Mulligan, Phillip

    2017-06-01

    An increased understanding of the shockwave interaction with a cylindrical structure is the foundation for developing a method to explosively seal a pipe similar to the Deepwater Horizon accident in the Gulf of Mexico. Shockwave interactions with a cylindrical structure have been a reoccurring focus of energetics research. Some of the most notable contributions of non-destructive tests are described in ``The Effects of Nuclear Weapons'' (Glasstone, 1962). The work presented by Glasstone examines shockwave interaction from a 20-megaton bomb with a cylindrical structure. However, the data is limited to a peak overpressure of less than 25 psi, requiring several miles between the structure and the charge. The research presented in the following paper expands on the work Glasstone described by examining the shockwaves from 90, 180, and 270-gram C-4 charges interacting with a 6-inch diameter cylindrical structure positioned 52-inches from the center of the charge. The three charge weights that were tested in this research generated a peak overpressures of approximately 15, 25, and 40 psi, respectively. This research examines the peak pressure and total impulse from each charge acting on the cylindrical structure as well as the formation of vortices on the ``backside'' of the cylinder surface. This paper describes the methodology and findings of this study as well as examines the causality and implications of its results on our understanding of the shockwave interaction with a cylindrical structure.

  16. Fundamental trends in fluid-structure interaction

    CERN Document Server

    Galdi, Giovanni P

    2010-01-01

    The interaction of a fluid with a solid body is a widespread phenomenon in nature, occurring at different scales and different applied disciplines. Interestingly enough, even though the mathematical theory of the motion of bodies in a liquid is one of the oldest and most classical problems in fluid mechanics, mathematicians have, only very recently, become interested in a systematic study of the basic problems related to fluid-structure interaction, from both analytical and numerical viewpoints. ""Fundamental Trends in Fluid-Structure Interaction"" is a unique collection of important papers wr

  17. Hyperfine Interactions in Ferrites with Spinel Structure

    OpenAIRE

    Chlan, Vojtěch

    2013-01-01

    Title: Hyperfine Interactions in Ferrites with Spinel Structure Author: Vojtěch Chlan Faculty of Mathematics and Physics, Charles University in Prague Supervisor: Prof. RNDr. Helena Štěpánková, CSc. Abstract: Ferrite systems with spinel structure, manganese ferrite, lithium ferrite and magnetite, are studied experimentally by nuclear magnetic resonance (NMR) spectroscopy and from the first principles by electron structure calculations based on density functional theory (DFT). Manganese ferrit...

  18. Algebraic structure of open string interactions

    International Nuclear Information System (INIS)

    Ramond, P.; Rodgers, V.G.J.

    1986-05-01

    Starting from the gauge invariant equations of motion for the free open string we show how to generate interactions by analogy with Yang-Mills. We postulate Non-Abelian transformation laws acting on the fields of the gauge invariant free open string theory. By demanding algebraic closure we then derive a set of consistency requirements and show that they lead to the construction of the minimal interacting equations which contain no cubic terms away from the physical gauge. We present explicit solutions to lowest interacting order for both vertices and structure functions. 14 refs

  19. Non-linear soil-structure interaction

    International Nuclear Information System (INIS)

    Wolf, J.P.

    1984-01-01

    The basic equation of motion to analyse the interaction of a non-linear structure and an irregular soil with the linear unbounded soil is formulated in the time domain. The contribution of the unbounded soil involves convolution integrals of the dynamic-stiffness coefficients in the time domain and the corresponding motions. As another possibility, a flexibility formulation fot the contribution of the unbounded soil using the dynamic-flexibility coefficients in the time domain, together with the direct-stiffness method for the structure and the irregular soil can be applied. As an example of a non-linear soil-structure-interaction analysis, the partial uplift of the basemat of a structure is examined. (Author) [pt

  20. Structural specificity in coiled-coil interactions

    OpenAIRE

    Grigoryan, Gevorg; Keating, Amy E.

    2008-01-01

    Coiled coils have a rich history in the field of protein design and engineering. Novel structures, such as the first 7-helix coiled coil, continue to provide surprises and insights. Large-scale data sets quantifying the influence of systematic mutations on coiled-coil stability are a valuable new asset to the area. Scoring methods based on sequence and/or structure can predict interaction preferences in coiled-coil-mediated bZIP transcription factor dimerization. Experimental and computationa...

  1. Interaction of multiwalled carbon nanotube produces structural ...

    African Journals Online (AJOL)

    Abstract. Multiwalled carbon nanotube (MWCNT) has been found to produce structural changes in Calf Thymus-DNA (CT-DNA). The interaction or binding of the multi-walled carbon nanotubes (MWCNT) was investigated in order to discover if it brings about any significant changes of the DNA double helix using CD spectra ...

  2. Strategy elimination in games with interaction structures

    NARCIS (Netherlands)

    Witzel, A.; Apt, K.R.; Zvesper, J.A.

    2009-01-01

    We study games in the presence of an interaction structure, which allows players to communicate their preferences, assuming that each player initially only knows his own preferences. We study the outcomes of iterated elimination of strictly dominated strategies (IESDS) that can be obtained in any

  3. Fundamental Structure of Matter and Strong Interaction

    Energy Technology Data Exchange (ETDEWEB)

    Jian-Ping Chen

    2011-11-01

    More than 99% of the visible matter in the universe are the protons and neutrons. Their internal structure is mostly governed by the strong interaction. Understanding their internal structure in terms of fundamental degrees-of-freedom is one of the most important subjects in modern physics. Worldwide efforts in the last few decades have lead to numerous surprises and discoveries, but major challenges still remain. An overview of the progress will be presented with a focus on the recent studies of the proton and neutron's electromagnetic and spin structure. Future perspectives will be discussed.

  4. Interaction of Refractory Dibenzothiophenes and Polymerizable Structures

    Directory of Open Access Journals (Sweden)

    Jose L. Rivera

    2014-01-01

    Full Text Available We carried out first principles calculations to show that polymerizable structures containing hydroxyl (alcoholic chain and amino groups are suitable to form stable complexes with dibenzothiophene (DBT and its alkyl derivates. These sulfur pollutants are very difficult to eliminate through traditional catalytic processes. Spontaneous and exothermic interactions at 0 K primarily occur through the formation of stable complexes of organosulfur molecules with monomeric structures by hydrogen bonds. The bonds are formed between the sulfur atom and the hydrogen of the hydroxyl group; additional hydrogen bonds are formed between the hydrogen atoms of the organosulfur molecule and the nitrogen atoms of the monomers. We vary the number of methylene groups in the alcoholic chain containing the hydroxyl group of the monomer and find that the monomeric structure with four methylene groups has the best selectivity towards the interaction with the methyl derivates with reference to the interaction with DBT. Even this study does not consider solvent and competitive adsorption effects; our results show that monomeric structures containing amino and hydroxyl groups can be used to develop adsorbents to eliminate organosulfur pollutants from oil and its derivates.

  5. Fluid structure interaction in tube bundles

    International Nuclear Information System (INIS)

    Brochard, D.; Jedrzejewski, F.; Gibert, R.J.

    1995-01-01

    A lot of industrial components contain tube bundles immersed in a fluid. The mechanical analysis of such systems requires the study of the fluid structure interaction in the tube bundle. Simplified methods, based on homogenization methods, have been developed to analyse such phenomenon and have been validated through experimental results. Generally, these methods consider only the fluid motion in a plan normal to the bundle axis. This paper will analyse, in a first part, the fluid structure interaction in a tube bundle through a 2D finite element model representing the bundle cross section. The influence of various parameters like the bundle size, and the bundle confinement will be studied. These results will be then compared with results from homogenization methods. Finally, the influence of the 3D fluid motion will be investigated, in using simplified methods. (authors). 11 refs., 12 figs., 2 tabs

  6. Dissipative Structures At Laser-Solid Interactions

    Science.gov (United States)

    Nanai, Laszlo

    1989-05-01

    The questions which are discussed in this lecture refer to one of sections of laser-solid interactions, namely: to formation of different dissipative structures on the surface of metals and semiconductors when they are irradiated by intensive laser light in chemically active media (f.e.air). Some particular examples of the development at different spatial and time instabilities, periodic and stochastic structures, auto-wave processes are present-ed using testing materials vanadium metal and semiconducting V205 single crystals and light sources: cw and pulsed CO2 and YAG lasers.

  7. Soil/Structure Interactions in Earthquakes

    Science.gov (United States)

    Ramey, G. W.; Moore, R. K.; Yoo, C. H.; Bush, Thomas D., Jr.; Stallings, J. M.

    1986-01-01

    In effort to improve design of Earthquake-resistant structures, mathematical study undertaken to simulate interactions among soil, foundation, and superstructure during various kinds of vibrational excitation. System modeled as three lumped masses connected vertically by springs, with lowest mass connected to horizontal vibrator (representing ground) through springs and dashpot. Behavior of springs described by elastic or elastoplastic force/deformation relationships. Relationships used to approximate nonlinear system behavior and soil/foundation-interface behavior.

  8. Structure of the human chromosome interaction network.

    Directory of Open Access Journals (Sweden)

    Sergio Sarnataro

    Full Text Available New Hi-C technologies have revealed that chromosomes have a complex network of spatial contacts in the cell nucleus of higher organisms, whose organisation is only partially understood. Here, we investigate the structure of such a network in human GM12878 cells, to derive a large scale picture of nuclear architecture. We find that the intensity of intra-chromosomal interactions is power-law distributed. Inter-chromosomal interactions are two orders of magnitude weaker and exponentially distributed, yet they are not randomly arranged along the genomic sequence. Intra-chromosomal contacts broadly occur between epigenomically homologous regions, whereas inter-chromosomal contacts are especially associated with regions rich in highly expressed genes. Overall, genomic contacts in the nucleus appear to be structured as a network of networks where a set of strongly individual chromosomal units, as envisaged in the 'chromosomal territory' scenario derived from microscopy, interact with each other via on average weaker, yet far from random and functionally important interactions.

  9. PCNA Structure and Interactions with Partner Proteins

    KAUST Repository

    Oke, Muse

    2018-01-29

    Proliferating cell nuclear antigen (PCNA) consists of three identical monomers that topologically encircle double-stranded DNA. PCNA stimulates the processivity of DNA polymerase δ and, to a less extent, the intrinsically highly processive DNA polymerase ε. It also functions as a platform that recruits and coordinates the activities of a large number of DNA processing proteins. Emerging structural and biochemical studies suggest that the nature of PCNA-partner proteins interactions is complex. A hydrophobic groove at the front side of PCNA serves as a primary docking site for the consensus PIP box motifs present in many PCNA-binding partners. Sequences that immediately flank the PIP box motif or regions that are distant from it could also interact with the hydrophobic groove and other regions of PCNA. Posttranslational modifications on the backside of PCNA could add another dimension to its interaction with partner proteins. An encounter of PCNA with different DNA structures might also be involved in coordinating its interactions. Finally, the ability of PCNA to bind up to three proteins while topologically linked to DNA suggests that it would be a versatile toolbox in many different DNA processing reactions.

  10. Advances in soil-structure interaction studies

    International Nuclear Information System (INIS)

    Maheshwari, B.K.

    2011-01-01

    It is utmost important that lifeline infrastructures (such as bridges, hospitals, power plants, dams etc.) are safe and functional during earthquakes as damage or collapse of these structures may have far reaching implications. A lifeline's failure may hamper relief and rescue operations required just after an earthquake and secondly its indirect economical losses may be very severe. Therefore, safety of these structures during earthquakes is vital. Further, damage to nuclear facilities during earthquake may lead to disaster. These structures should be designed adequately taking into account all the important issues. Soil-Structure Interaction (SSI) is one of the design issues, which is often overlooked and even in some cases ignored. The effects of dynamic SSI are well understood and practiced in the nuclear power industry (for large foundations of the nuclear containment structures) since sixties. However, in last decade, there are many advances in techniques of SSI and those need to be incorporated in practice. Failures of many structures occurred during the 1989 Loma Prieta and 1994 Northridge, California earthquakes and the 1995 Kobe, Japan earthquake due to SSI or a related issue. Many jetties had failed in Andaman and Nicobar islands due to Sumatra earthquake and ensuing tsunamis. It is because of this recent experience that the importance of SSI on dynamic response of structures during earthquakes has been fully realized. General belief that the SSI effects are always beneficial for the structure is not correct. Some cases have been presented where it is shown that SSI effects are detrimental for the stability of the structure. This paper addresses the effects of dynamic SSI on the response of the structures and explains its importance. Further advances in SSI studies have been discussed

  11. SSI [soil-structure interactions] and structural benchmarks

    International Nuclear Information System (INIS)

    Philippacopoulos, A.J.; Miller, C.A.; Costantino, C.J.; Graves, H.

    1986-01-01

    This paper presents the latest results of the ongoing program entitled, ''Standard Problems for Structural Computer Codes'', currently being worked on at BNL for the USNRC, Office of Nuclear Regulatory Research. During FY 1986, efforts were focussed on three tasks, namely, (1) an investigation of ground water effects on the response of Category I structures, (2) the Soil-Structure Interaction Workshop and (3) studies on structural benchmarks associated with Category I structures. The objective of the studies on ground water effects is to verify the applicability and the limitations of the SSI methods currently used by the industry in performing seismic evaluations of nuclear plants which are located at sites with high water tables. In a previous study by BNL (NUREG/CR-4588), it has been concluded that the pore water can influence significantly the soil-structure interaction process. This result, however, is based on the assumption of fully saturated soil profiles. Consequently, the work was further extended to include cases associated with variable water table depths. In this paper, results related to ''cut-off'' depths beyond which the pore water effects can be ignored in seismic calculations, are addressed. Comprehensive numerical data are given for soil configurations typical to those encountered in nuclear plant sites. These data were generated by using a modified version of the SLAM code which is capable of handling problems related to the dynamic response of saturated soils

  12. Fluid structure interaction in piping systems

    Energy Technology Data Exchange (ETDEWEB)

    Svingen, Bjoernar

    1996-12-31

    The Dr. ing. thesis relates to an analysis of fluid structure interaction in piping systems in the frequency domain. The governing equations are the water hammer equations for the liquid, and the beam-equations for the structure. The fluid and structural equations are coupled through axial stresses and fluid continuity relations controlled by the contraction factor (Poisson coupling), and continuity and force relations at the boundaries (junction coupling). A computer program has been developed using the finite element method as a discretization technique both for the fluid and for the structure. This is made for permitting analyses of large systems including branches and loops, as well as including hydraulic piping components, and experiments are executed. Excitations are made in a frequency range from zero Hz and up to at least one thousand Hz. Frequency dependent friction is modelled as stiffness proportional Rayleigh damping both for the fluid and for the structure. With respect to the water hammer equations, stiffness proportional damping is seen as an artificial (bulk) viscosity term. A physical interpretation of this term in relation to transient/oscillating hydraulic pipe-friction is given. 77 refs., 72 figs., 4 tabs.

  13. Enzyme structure and interaction with inhibitors

    International Nuclear Information System (INIS)

    London, R.E.

    1983-01-01

    This article reviews some of the results of studies on the 13 C-labeled enzyme dihydrofolate reductase (DHFR). Nuclear magnetic resonance (NMR) techniques are used in combination with isotopic labeling to learn about the structure and dynamics of this enzyme. 13 C-labeling is used for the purpose of studying enzyme/substrate and enzyme/inhibitor interactions. A second set of studies with DHFR was designed to investigate the basis for the high affinity between the inhibitor methotrexate and DHFR. The label was placed on the inhibitor, rather than the enzyme

  14. Structural insights into microtubule doublet interactions inaxonemes

    Energy Technology Data Exchange (ETDEWEB)

    Downing, Kenneth H.; Sui, Haixin

    2007-06-06

    Coordinated sliding of microtubule doublets, driven by dynein motors, produces periodic beating of the axoneme. Recent structural studies of the axoneme have used cryo-electron tomography to reveal new details of the interactions among some of the multitude of proteins that form the axoneme and regulate its movement. Connections among the several sets of dyneins, in particular, suggest ways in which their actions may be coordinated. Study of the molecular architecture of isolated doublets has provided a structural basis for understanding the doublet's mechanical properties that are related to the bending of the axoneme, and has also offered insight into its potential role in the mechanism of dynein activity regulation.

  15. Earthquake response analysis considering structure-soil-structure interaction

    International Nuclear Information System (INIS)

    Shiomi, T.; Takahashi, K.; Oguro, E.

    1981-01-01

    This paper proposes a numerical method of earthquake response analysis considering the structure-soil-structure interaction between two adjacent buildings. In this paper an analytical study is presented in order to show some typical features of coupling effects of two reactor buildings of the BWR-type nuclear power plant. The technical approach is a kind of substructure method, which at first evaluates the compliance properties with the foundation-soil-foundation interaction and then uses the compliance in determining seismic responses of two super-structures during earthquake motions. For this purpose, it is assumed that the soil medium is an elastic half space for modeling and that the rigidity of any type of structures such as piping facilities connecting the adjacent buildings is negligible. The technical approach is mainly based on the following procedures. Supersturcture stiffness is calculated by using the method which has been developed in our laboratory based on the Thin-Wall Beam Theory. Soil stiffness is expressed by a matrix with 12 x 12 elements as a function of frequency, which is calculated using the soil compliance functions proposed in Dr. Tajimi's Theory. These stiffness values may be expressed by complex numbers for modeling the damping mechanism of superstructures. We can solve eigenvalue problems with frequency dependent stiffness and the large-scale matrix using our method which is based on condensing the matrix to the suitable size by Rayleigh-Ritz method. Earthquake responses can be solved in the frequency domain by Fourier Transform. (orig./RW)

  16. Fluid-structure interaction and biomedical applications

    CERN Document Server

    Galdi, Giovanni; Nečasová, Šárka

    2014-01-01

    This book presents, in a methodical way, updated and comprehensive descriptions and analyses of some of the most relevant problems in the context of fluid-structure interaction (FSI). Generally speaking, FSI is among the most popular and intriguing problems in applied sciences and includes industrial as well as biological applications. Various fundamental aspects of FSI are addressed from different perspectives, with a focus on biomedical applications. More specifically, the book presents a mathematical analysis of basic questions like the well-posedness of the relevant initial and boundary value problems, as well as the modeling and the numerical simulation of a number of fundamental phenomena related to human biology. These latter research topics include blood flow in arteries and veins, blood coagulation and speech modeling. We believe that the variety of the topics discussed, along with the different approaches used to address and solve the corresponding problems, will help readers to develop a more holis...

  17. Flow structure of vortex-wing interaction

    Science.gov (United States)

    McKenna, Christopher K.

    Impingement of a streamwise-oriented vortex upon a fin, tail, blade or wing represents a fundamental class of flow-structure interaction that extends across a range of applications. This interaction can give rise to time-averaged loading, as well as unsteady loading known as buffeting. The loading is sensitive to parameters of the incident vortex as well as the location of vortex impingement on the downstream aerodynamic surface, generically designated as a wing. Particle image velocimetry is employed to determine patterns of velocity, vorticity, swirl ratio, and streamlines on successive cross-flow planes upstream of and along the wing, which lead to volume representations and thereby characterization of the interaction. At locations upstream of the leading edge of the wing, the evolution of the incident vortex is affected by the presence of the wing, and is highly dependent on the spanwise location of vortex impingement. Even at spanwise locations of impingement well outboard of the wing tip, a substantial influence on the structure of the incident vortex at locations significantly upstream of the leading edge of the wing was observed. For spanwise locations close to or intersecting the vortex core, the effects of upstream influence of the wing on the vortex are to: decrease the swirl ratio; increase the streamwise velocity deficit; decrease the streamwise vorticity; increase the azimuthal vorticity; increase the upwash; decrease the downwash; and increase the root-mean-square fluctuations of both streamwise velocity and vorticity. The interrelationship between these effects is addressed, including the rapid attenuation of axial vorticity in presence of an enhanced defect of axial velocity in the central region of the vortex. Moreover, when the incident vortex is aligned with, or inboard of, the tip of the wing, the swirl ratio decreases to values associated with instability of the vortex, giving rise to enhanced values of azimuthal vorticity relative to the

  18. Structure of local interactions in complex financial dynamics.

    Science.gov (United States)

    Jiang, X F; Chen, T T; Zheng, B

    2014-06-17

    With the network methods and random matrix theory, we investigate the interaction structure of communities in financial markets. In particular, based on the random matrix decomposition, we clarify that the local interactions between the business sectors (subsectors) are mainly contained in the sector mode. In the sector mode, the average correlation inside the sectors is positive, while that between the sectors is negative. Further, we explore the time evolution of the interaction structure of the business sectors, and observe that the local interaction structure changes dramatically during a financial bubble or crisis.

  19. Structural study of surfactant-dependent interaction with protein

    Energy Technology Data Exchange (ETDEWEB)

    Mehan, Sumit; Aswal, Vinod K., E-mail: vkaswal@barc.gov.in [Solid State Physics Division, Bhabha Atomic Research Centre, Mumbai 400 085 (India); Kohlbrecher, Joachim [Laboratory for Neutron Scattering, Paul Scherrer Institut, CH-5232 PSI Villigen (Switzerland)

    2015-06-24

    Small-angle neutron scattering (SANS) has been used to study the complex structure of anionic BSA protein with three different (cationic DTAB, anionic SDS and non-ionic C12E10) surfactants. These systems form very different surfactant-dependent complexes. We show that the structure of protein-surfactant complex is initiated by the site-specific electrostatic interaction between the components, followed by the hydrophobic interaction at high surfactant concentrations. It is also found that hydrophobic interaction is preferred over the electrostatic interaction in deciding the resultant structure of protein-surfactant complexes.

  20. Structure of local interactions in complex financial dynamics

    Science.gov (United States)

    Jiang, X. F.; Chen, T. T.; Zheng, B.

    2014-06-01

    With the network methods and random matrix theory, we investigate the interaction structure of communities in financial markets. In particular, based on the random matrix decomposition, we clarify that the local interactions between the business sectors (subsectors) are mainly contained in the sector mode. In the sector mode, the average correlation inside the sectors is positive, while that between the sectors is negative. Further, we explore the time evolution of the interaction structure of the business sectors, and observe that the local interaction structure changes dramatically during a financial bubble or crisis.

  1. TECHNICAL NOTES SEISMIC SOIL-STRUCTURE INTERACTION ...

    African Journals Online (AJOL)

    dell

    system due to SSI. After introducing the basic concepts of dynamic SSI, the paper demonstrates that if SSI provisions in some international codes are properly adapted, a substantial reduction in the base shear ... structure, flexible-base structure, period lengthening ... shear demand due to the associated energy dissipation ...

  2. Fluid/structure interaction in piping systems

    International Nuclear Information System (INIS)

    Kellner, A.; Schoenfelder, C.

    1982-01-01

    The global movement of piping systems caused by pressure pulses as well as the associated loads on bends, nozzles and piping support structures are usually computed by using the pressures given by a hydrodynamic calculation as driving functions in a consecutive dynamic structure analysis without taking into account the secondary pressure pulses induced by the piping movement in the fluid. It is shown how including this feed-back of the structure dynamics on the fluid can lead to a drastic reduction of the computed loads

  3. Aspects of Prediction Accuracy in Human-structure Interaction

    DEFF Research Database (Denmark)

    Pedersen, Lars

    2009-01-01

    Structures such as grandstands in stadia and office floors in buildings are typically occupied by seated persons, and it is a challenge to predict the dynamic characteristics of these structures. This is because the structures and the seated persons interact when the structures undergo vibrations......, basically with the effect that the seated persons influence the dynamic system. The mechanism of the interaction is not well understood, and there are a number of factors that might influence the mechanism of the interaction. Through experiments with a vibrating floor carrying seated humans, the paper looks...... into the mechanism of the interaction focusing on its effect on dynamic structural properties. It is investigated to which extent factors such as posture of the seated persons and the construction type of the seat on which the persons are sitting have a bearing on the structural frequency and damping. This provides...

  4. Human-structure Interaction and Implications

    DEFF Research Database (Denmark)

    Pedersen, Lars

    2016-01-01

    On civil engineering structures human occupancy is often modeled as a static load. Modeling humans as a static load is a simplification of matters, as will be demonstrated in the paper. The paper addresses the complexity of having both passive humans (sitting or standing) as well as active humans...

  5. Validation of seismic soil-structure interaction

    International Nuclear Information System (INIS)

    Finn, Liam W.D.; Ledbetter, R.H.; Beratan, L.L.

    1988-01-01

    Simulated earthquake tests were conducted on centrifuged model structures embedded in dry and saturated sand foundations. Accelerations and pore water pressures were recorded at many locations during the test. Model responses were analyzed using the program TARA-3 which incorporates a procedure for nonlinear dynamic effective stress analysis. Computed and measured responses agreed quite closely. (author)

  6. Dynamic characteristics of cylindrical shells considering Fluid-structure interaction

    International Nuclear Information System (INIS)

    Jhung, Myung Jo; Kim, Wal Tae; Ryu, Yong Ho

    2009-01-01

    To assure the reliability of cylinders or shells with fluid-filled annulus, it is necessary to investigate the modal characteristics considering fluid-structure interaction effect. In this study, theoretical background and several finite element models are developed for cylindrical shells with fluid-filled annulus considering fluid-structure interaction. The effect of the inclusion of the fluid-filled annulus on the natural frequencies is investigated, which frequencies are used for typical dynamic analyses such as responses spectrum, power spectral density and unit load excitation. Their response characteristics are addressed with respect to the various representations of the fluid-structure interaction effect

  7. Wave Interaction with Porous Coastal Structures

    DEFF Research Database (Denmark)

    Jensen, Bjarne

    Porous breakwater structures are widely used as protection against waves for ports and harbours as well as for general coastal protection. The structures differers depending on the exact purpose e.g. harbour protection, detached breakwaters, groins, submerged breakwaters etc. Typical types...... to waves. The general design methods are based on a long tradition of experimental investigations in scale models. This has resulted in empirical design formulas which in combination with physical model tests during the design phase constitutes the typical approach to breakwater design. Numerical models...... are also applied as part of investigating and designing breakwaters. The models can provide more detailed information on some topics, such as pressure attenuation through the porous core material, while it is more difficult to simulate the direct destabilisation and movements of individual stones...

  8. Dynamic soil-structure interactions on embedded buildings

    International Nuclear Information System (INIS)

    Kobarg, J.; Werkle, H.; Henseleit, O.

    1983-01-01

    The dynamic soil-structure interaction on the horizontal seismic excitation is investigated on two typical embedded auxiliary buildings of a nuclear power plant. The structure and the soil are modelled by various analytical and numerical methods. Under the condition of the linear viscoelastic theory, i.e. soil characteristic constant in time and independent of strain, the interaction influences between a homogenous soil layer and a structure are analysied for the following parameters: 4) mathematical soil modells; 4) mathematical structure modells; 4) shear wave velocities; 3) embedment conditions; 4) earthquake time histories. (orig.) [de

  9. Structural interaction of novel dendrimer and subunits with water

    African Journals Online (AJOL)

    Preferred Customer

    Structural interacting potential of the dendrimers is of industrial significance [1-2] for wider reorientations and binding affinities with energy consumption [3]. In general, the dendrimers are used in drug designing and transporting, molecular binding, ionic trapping only due to non- reacting but highly interacting potential and ...

  10. Lateral human-structure interaction on footbridges

    DEFF Research Database (Denmark)

    Ingólfsson, Einar Thór; Georgakis, Christos; Ricciardelli, Francesco

    2010-01-01

    In recent years, several high-profile footbridges have suffered from unexpected excessive pedestrian-induced lateral vibrations. There is a commonly accepted view that the synchronisation of pedestrians to the lateral movement of a structure is necessary for the onset of a form of instability which...... may lead to large lateral responses. Several recently published load models are based on this assumption. Yet, few experimental studies exist to support this hypothesis. Therefore, an extensive experimental campaign, involving 71 test subjects, has been carried out to determine the lateral forces...... generated by pedestrians during walking on an instrumented moving treadmill. The treadmill was driven sinusoidally in a lateral motion at various vibration frequencies and amplitudes. Visual observations made during the experiments and testimonies from the walkers, as well as subsequent analysis of video...

  11. Predicting and validating protein interactions using network structure.

    Directory of Open Access Journals (Sweden)

    Pao-Yang Chen

    2008-07-01

    Full Text Available Protein interactions play a vital part in the function of a cell. As experimental techniques for detection and validation of protein interactions are time consuming, there is a need for computational methods for this task. Protein interactions appear to form a network with a relatively high degree of local clustering. In this paper we exploit this clustering by suggesting a score based on triplets of observed protein interactions. The score utilises both protein characteristics and network properties. Our score based on triplets is shown to complement existing techniques for predicting protein interactions, outperforming them on data sets which display a high degree of clustering. The predicted interactions score highly against test measures for accuracy. Compared to a similar score derived from pairwise interactions only, the triplet score displays higher sensitivity and specificity. By looking at specific examples, we show how an experimental set of interactions can be enriched and validated. As part of this work we also examine the effect of different prior databases upon the accuracy of prediction and find that the interactions from the same kingdom give better results than from across kingdoms, suggesting that there may be fundamental differences between the networks. These results all emphasize that network structure is important and helps in the accurate prediction of protein interactions. The protein interaction data set and the program used in our analysis, and a list of predictions and validations, are available at http://www.stats.ox.ac.uk/bioinfo/resources/PredictingInteractions.

  12. Applications in soil-structure interactions. Final report, June 1979

    International Nuclear Information System (INIS)

    Jhaveri, D.P.

    1979-01-01

    Complex phenomenon of soil-structure interaction was assessed. Relationships between the characteristics of the earthquake ground motions, the local soil and geologic conditions, and the response of the structures to the ground motions were studied. (I) The use of the explicit finite-difference method to study linear elastic soil-structure interaction is described. A linear two-dimensional study of different conditions that influence the dynamic compliance and scattering properties of foundations is presented. (II) The FLUSH computer code was used to compute the soil-structure interaction during SIMQUAKE 1B, an experimental underground blast excitation of a 1/12-scale model of a nuclear containment structure. Evaluation was performed using transient excitation, applied to a finite-difference grid. Dynamic foundation properties were studied. Results indicate that the orientation and location of the source relative to the site and the wave environment at the site may be important parameters to be considered. Differences between the computed and experimental recorded responses are indicated, and reasons for the discrepancy are suggested. (III) A case study that examined structural and ground response data tabulated and catalogued from tests at the Nevada Test Site for its applicability to the soil-structure interaction questions of interest is presented. Description, methods, and evaluation of data on soil-structure interaction from forced vibration tests are presented. A two-dimensional finite-difference grid representing a relatively rigid structure resting on uniform ground was analyzed and monitored. Fourier spectra of monitored time histories were also evaluated and are presented. Results show clear evidence of soil-structure interaction and significant agreement with theory. 128 figures, 18 tables

  13. Some aspects of the interaction between systems- and structural reliability

    International Nuclear Information System (INIS)

    Schueller, G.K.; Schmitt, W.

    1979-01-01

    The purpose of this paper is to study the interaction between systems- and structural reliability analysis with reference to the design of structural components of LWR. Presently the evaluation of systems reliability is carried out apart from structural reliability analysis. Moreover, two basically different methodologies are used for analysis. While in systems analysis the simplified binary approach is still generally accepted, in structural reliability one has to resort to more sophisticated procedures to obtain realistic results. The interactive effect may be illustrated as follows: For example, the integrity of the primary circuit interacts with the integrity of the containment structure. This means that the probability of occurrence of the pipe rupture which may cause a LOCA and consequently leads to a build-up of temperature and pressure within the containment affects directly its structural reliability. The piping system, particularly the primary piping, in turn interacts with the protective system, which is part of the safety system. This piping structure is also subjected to various operational loading conditions. In a numerical example dealing with leakage probabilities of pipes it is shown how methods of structural reliability may be used to gain more insight in the estimation of failure rates of system components. (orig.)

  14. Numerical Simulation of Wave Interaction with Moving Net Structures

    DEFF Research Database (Denmark)

    Chen, Hao; Christensen, Erik Damgaard

    2015-01-01

    Fluid structure interaction is an important issue in designof many engineering systems including offshore fish cages. As a first step to develop a coupled CFD/FEM model, in the present study a moving porous media model has been developed in the open source library Open FOAM. The net structure...

  15. Interactive Hangman Teaches Amino Acid Structures and Abbreviations

    Science.gov (United States)

    Pennington, Britney O.; Sears, Duane; Clegg, Dennis O.

    2014-01-01

    We developed an interactive exercise to teach students how to draw the structures of the 20 standard amino acids and to identify the one-letter abbreviations by modifying the familiar game of "Hangman." Amino acid structures were used to represent single letters throughout the game. To provide additional practice in identifying…

  16. Water-mediated ionic interactions in protein structures

    Indian Academy of Sciences (India)

    It is well known that water molecules play an indispensable role in the structure and function of biological macromolecules. The water-mediated ionic interactions between the charged residues provide stability and plasticity and in turn address the function of the protein structures. Thus, this study specifically addresses the ...

  17. Connecting Protein Structure to Intermolecular Interactions: A Computer Modeling Laboratory

    Science.gov (United States)

    Abualia, Mohammed; Schroeder, Lianne; Garcia, Megan; Daubenmire, Patrick L.; Wink, Donald J.; Clark, Ginevra A.

    2016-01-01

    An understanding of protein folding relies on a solid foundation of a number of critical chemical concepts, such as molecular structure, intra-/intermolecular interactions, and relating structure to function. Recent reports show that students struggle on all levels to achieve these understandings and use them in meaningful ways. Further, several…

  18. Structural stability of interaction networks against negative external fields

    Science.gov (United States)

    Yoon, S.; Goltsev, A. V.; Mendes, J. F. F.

    2018-04-01

    We explore structural stability of weighted and unweighted networks of positively interacting agents against a negative external field. We study how the agents support the activity of each other to confront the negative field, which suppresses the activity of agents and can lead to collapse of the whole network. The competition between the interactions and the field shape the structure of stable states of the system. In unweighted networks (uniform interactions) the stable states have the structure of k -cores of the interaction network. The interplay between the topology and the distribution of weights (heterogeneous interactions) impacts strongly the structural stability against a negative field, especially in the case of fat-tailed distributions of weights. We show that apart from critical slowing down there is also a critical change in the system structure that precedes the network collapse. The change can serve as an early warning of the critical transition. To characterize changes of network structure we develop a method based on statistical analysis of the k -core organization and so-called "corona" clusters belonging to the k -cores.

  19. ERCOFTAC Symposium on Unsteady Separation in Fluid-Structure Interaction

    CERN Document Server

    Bottaro, Alessandro; Thompson, Mark

    2016-01-01

    This book addresses flow separation within the context of fluid-structure interaction phenomena. Here, new findings from two research communities focusing on fluids and structures are brought together, emphasizing the importance of a unified multidisciplinary approach. The book covers the theory, experimental findings, numerical simulations, and modeling in fluid dynamics and structural mechanics for both incompressible and compressible separated unsteady flows. There is a focus on the morphing of lifting structures in order to increase their aerodynamic and/or hydrodynamic performances, to control separation and to reduce noise, as well as to inspire the design of novel structures. The different chapters are based on contributions presented at the ERCOFTAC Symposium on Unsteady Separation in Fluid-Structure Interaction held in Mykonos, Greece, 17-21 June, 2013 and include extended discussions and new highlights. The book is intended for students, researchers and practitioners in the broad field of computatio...

  20. Pedagogical Interaction in High School, the Structural and Functional Model of Pedagogical Interaction

    Science.gov (United States)

    Semenova, Larissa A.; Kazantseva, Anastassiya I.; Sergeyeva, Valeriya V.; Raklova, Yekaterina M.; Baiseitova, Zhanar B.

    2016-01-01

    The study covers the problems of pedagogical technologies and their experimental implementation in the learning process. The theoretical aspects of the "student-teacher" interaction are investigated. A structural and functional model of pedagogical interaction is offered, which determines the conditions for improving pedagogical…

  1. Interactive Hangman teaches amino acid structures and abbreviations

    OpenAIRE

    Pennington, BO; Sears, D; Clegg, DO

    2014-01-01

    © 2014 by The International Union of Biochemistry and Molecular Biology, 42(6):495-500, 2014. We developed an interactive exercise to teach students how to draw the structures of the 20 standard amino acids and to identify the one-letter abbreviations by modifying the familiar game of "Hangman." Amino acid structures were used to represent single letters throughout the game. To provide additional practice in identifying structures, hints to the answers were written in "amino acid sentences" f...

  2. Computational modeling of RNA 3D structures and interactions.

    Science.gov (United States)

    Dawson, Wayne K; Bujnicki, Janusz M

    2016-04-01

    RNA molecules have key functions in cellular processes beyond being carriers of protein-coding information. These functions are often dependent on the ability to form complex three-dimensional (3D) structures. However, experimental determination of RNA 3D structures is difficult, which has prompted the development of computational methods for structure prediction from sequence. Recent progress in 3D structure modeling of RNA and emerging approaches for predicting RNA interactions with ions, ligands and proteins have been stimulated by successes in protein 3D structure modeling. Copyright © 2015 The Authors. Published by Elsevier Ltd.. All rights reserved.

  3. Universality Classes of Interaction Structures for NK Fitness Landscapes

    Science.gov (United States)

    Hwang, Sungmin; Schmiegelt, Benjamin; Ferretti, Luca; Krug, Joachim

    2018-02-01

    Kauffman's NK-model is a paradigmatic example of a class of stochastic models of genotypic fitness landscapes that aim to capture generic features of epistatic interactions in multilocus systems. Genotypes are represented as sequences of L binary loci. The fitness assigned to a genotype is a sum of contributions, each of which is a random function defined on a subset of k ≤ L loci. These subsets or neighborhoods determine the genetic interactions of the model. Whereas earlier work on the NK model suggested that most of its properties are robust with regard to the choice of neighborhoods, recent work has revealed an important and sometimes counter-intuitive influence of the interaction structure on the properties of NK fitness landscapes. Here we review these developments and present new results concerning the number of local fitness maxima and the statistics of selectively accessible (that is, fitness-monotonic) mutational pathways. In particular, we develop a unified framework for computing the exponential growth rate of the expected number of local fitness maxima as a function of L, and identify two different universality classes of interaction structures that display different asymptotics of this quantity for large k. Moreover, we show that the probability that the fitness landscape can be traversed along an accessible path decreases exponentially in L for a large class of interaction structures that we characterize as locally bounded. Finally, we discuss the impact of the NK interaction structures on the dynamics of evolution using adaptive walk models.

  4. Process Machine Interactions Predicition and Manipulation of Interactions between Manufacturing Processes and Machine Tool Structures

    CERN Document Server

    Hollmann, Ferdinand

    2013-01-01

    This contributed volume collects the scientific results of the DFG Priority Program 1180 Prediction and Manipulation of Interactions between Structure and Process. The research program has been conducted during the years 2005 and 2012, whereas the primary goal was the analysis of the interactions between processes and structures in modern production facilities. This book presents the findings of the 20 interdisciplinary subprojects, focusing on different manufacturing processes such as high performance milling, tool grinding or metal forming. It contains experimental investigations as well as mathematical modeling of production processes and machine interactions. New experimental advancements and novel simulation approaches are also included.

  5. Optimization of mathematical models for soil structure interaction

    International Nuclear Information System (INIS)

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

    1993-01-01

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

  6. Two stage approach to dynamic soil structure interaction

    International Nuclear Information System (INIS)

    Nelson, I.

    1981-01-01

    A two stage approach is used to reduce the effective size of soil island required to solve dynamic soil structure interaction problems. The ficticious boundaries of the conventional soil island are chosen sufficiently far from the structure so that the presence of the structure causes only a slight perturbation on the soil response near the boundaries. While the resulting finite element model of the soil structure system can be solved, it requires a formidable computational effort. Currently, a two stage approach is used to reduce this effort. The combined soil structure system has many frequencies and wavelengths. For a stiff structure, the lowest frequencies are those associated with the motion of the structure as a rigid body. In the soil, these modes have the longest wavelengths and attenuate most slowly. The higher frequency deformational modes of the structure have shorter wavelengths and their effect attenuates more rapidly with distance from the structure. The difference in soil response between a computation with a refined structural model, and one with a crude model, tends towards zero a very short distance from the structure. In the current work, the 'crude model' is a rigid structure with the same geometry and inertial properties as the refined model. Preliminary calculations indicated that a rigid structure would be a good low frequency approximation to the actual structure, provided the structure was much stiffer than the native soil. (orig./RW)

  7. Influence of soil-structure interaction on floor response spectra

    International Nuclear Information System (INIS)

    Costantino, C.J.; Miller, C.A.; Curreri, J.R.

    1985-01-01

    A study was undertaken to investigate the influence of soil-structure interaction on floor response spectra developed in typical nuclear power plant structures. A horizontal earthquake time history, whose spectra envelops the Regulatory Guide 1.60 criteria and is scaled to a log peak acceleration, was used as input to structural models. Two different structural stick models were used, representing typical BWR and PWR facilities. By varying the structural and soil stiffness parameters, a wide range of system behaviors were investigated. Floor response spectra, required to assess equipment qualification, were of primary interest. It was found from a variation of parameter study that the interaction soil parameters, particularly radiation damping, greatly affect the nature of the calculated responses. 2 refs., 2 figs., 2 tabs

  8. Fluid-structure interactions models, analysis and finite elements

    CERN Document Server

    Richter, Thomas

    2017-01-01

    This book starts by introducing the fundamental concepts of mathematical continuum mechanics for fluids and solids and their coupling. Special attention is given to the derivation of variational formulations for the subproblems describing fluid- and solid-mechanics as well as the coupled fluid-structure interaction problem. Two monolithic formulations for fluid-structure interactions are described in detail: the well-established ALE formulation and the modern Fully Eulerian formulation, which can effectively deal with problems featuring large deformation and contact. Further, the book provides details on state-of-the-art discretization schemes for fluid- and solid-mechanics and considers the special needs of coupled problems with interface-tracking and interface-capturing techniques. Lastly, advanced topics like goal-oriented error estimation, multigrid solution and gradient-based optimization schemes are discussed in the context of fluid-structure interaction problems.

  9. Neighborhood structure effects on the Dynamic response of soil-structure interaction by harmonic analysis

    Directory of Open Access Journals (Sweden)

    Pan Dan-guang

    2015-01-01

    Full Text Available For realizing the variation of structural dynamic characteristics due to neighbor structure in buildings group, the surface structure is idealized as an equivalent single degree of freedom system with rigid base whose site consists of a single homogeneous layer. Based on the model, a equivalent method on the equivalent seismic excitation is proposed. Then, the differences of seismic response and equivalent seismic input between soil - structure interaction (SSI system and structure -soil-structure interaction (SSSI system are investigated by harmonic analysis. The numerical results show that dynamic responses would be underestimated in SSSI system when the forcing frequencies are close to the Natural frequency if the effects of neighborhood structure were ignored. Neighborhood structure would make the translational displacement increase and rocking vibration decrease. When establishing an effective seismic input, it is necessary to consider the impact of inertia interaction.

  10. Some considerations on the dynamic structure-soil-structure interactions analysis

    International Nuclear Information System (INIS)

    Matthees, W.

    1979-01-01

    A mixed method has been developed for the approximate analysis of soil-structure or structure-soil-structure interaction problems due to earthquakes. In order to produce comparable results of interaction problems as well as for shallow and for deep soils due to the same earthquake excitation (accelerogram) situated always at the lower bedrock boundary, the analysis is performed in two steps: 1) Calculation of the complex transfer function and the response of the upper interior boundary of a layered soil-system which is connected at its top to a soil-structure-system, using the one-dimensional deconvolution. 2) By making a complete interaction analysis of the surface soil-structure-system using the interior boundary excitation of the calculated response from step 1. The depth of the soil-structure-system must be chosen large enough to exclude interaction effects down to the layered soil-system's interior boundary. (orig.)

  11. Structure, complexity and cooperation in parallel external chat interactions

    DEFF Research Database (Denmark)

    Grønning, Anette

    2012-01-01

    This article examines structure, complexity and cooperation in external chat interactions at the workplace in which one of the participants is taking part in multiple parallel conversations. The investigation is based on an analysis of nine chat interactions in a work-related context......, with particular focus on the content of the parallel time spans of the chat interactions. The analysis was inspired by applied conversation analysis (CA). The empirical material has been placed at my disposal by Kristelig Fagbevægelse (Krifa), which is Denmark’s third-largest trade union. The article’s overall...... and cannot see, hear, or touch one another, it is possible to detect an informal, pleasant tone in their interactions. This challenges the basically asymmetrical relationship between employee and customer, and one can sense a further level of asymmetry. In terms of medium, chat interactions exist via various...

  12. The Narrative-Communication Structure in Interactive Narrative Works

    Science.gov (United States)

    Ben-Arie, Udi

    Interactive work on new media platforms differs from familiar work on more traditional media, such as literature, theatre, cinema and television, in terms of their narrative-communication situation. Interactive works, unlike cinematic works, allow the viewer to participate to a different extent, involving a reciprocal communication process. In this paper I propose a bi-directional communication structure for interactive storytelling systems, based on narratology theory and communication film theory. I adapt existing narrative-communication models of conventional media, mainly those of Seymour Chatman and Vivian Sobchack, to suggest a detailed narrative-communication model for interactive storytelling systems, which would facilitate the formulation of a better definition of the various constituent elements of interactive storytelling communication, and the functions they fulfill.

  13. Structural priming and frequency effects interact in Chinese sentence comprehension

    Directory of Open Access Journals (Sweden)

    Hang eWei

    2016-02-01

    Full Text Available Previous research in several European languages has shown that the language processing system is sensitive to both structural frequency and structural priming effects. However, it is currently not clear whether these two types of effects interact during online sentence comprehension, especially for languages that do not have morphological markings. To explore this issue, the present study investigated the possible interplay between structural priming and frequency effects for sentences containing the Chinese ambiguous construction V NP1 de NP2 in a self-paced reading experiment. The sentences were disambiguated to either the more frequent/preferred NP structure or the less frequent VP structure. Each target sentence was preceded by a prime sentence of three possible types: NP primes, VP primes, and neutral primes. When the ambiguous construction V NP1 de NP2 was disambiguated to the dispreferred VP structure, participants experienced more processing difficulty following an NP prime relative to following a VP prime or a neutral baseline. When the ambiguity was resolved to the preferred NP structure, prime type had no effect. These results suggest that structural priming in comprehension is modulated by the baseline frequency of alternative structures, with the less frequent structure being more subject to structural priming effects. These results are discussed in the context of the error-based, implicit learning account of structural priming.

  14. Fluid structure and molecular interaction of acetophenone derivatives

    Indian Academy of Sciences (India)

    pp. 1129-1137. Fluid structure and molecular interaction of acetophenone derivatives. K K GUPTA and P J sINGH. Department of Physics, Government MSJ (PG) College, Bharatpur 321 001, India. E-mail: kkguptakkg@indiatimes.com. MS received 4 June 2003; revised 2 January 2004; accepted 2 January 2004. Abstract.

  15. SEISMIC RESPONSE OF DAM WITH SOIL-STRUCTURE INTERACTION.

    Science.gov (United States)

    Bycroft, G.N.; Mork, P.N.

    1987-01-01

    An analytical solution to the response of a long trapezoidal-section dam on a foundation consisting of an elastic half-space and subjected to simulated earthquake motion is developed. An optimum seismic design is achieved when the cross section of the dam is triangular. The effect of soil structure interaction is to lower the strain occurring in the dam.

  16. Understanding Protein-Protein Interactions Using Local Structural Features

    DEFF Research Database (Denmark)

    Planas-Iglesias, Joan; Bonet, Jaume; García-García, Javier

    2013-01-01

    of this classification suggests that the balance between favoring and disfavoring structural features determines if a pair of proteins interacts or not. Our results are in agreement with previous works and support the funnel-like intermolecular energy landscape theory that explains PPIs. We have used these features...

  17. Website on Protein Interaction and Protein Structure Related Work

    Science.gov (United States)

    Samanta, Manoj; Liang, Shoudan; Biegel, Bryan (Technical Monitor)

    2003-01-01

    In today's world, three seemingly diverse fields - computer information technology, nanotechnology and biotechnology are joining forces to enlarge our scientific knowledge and solve complex technological problems. Our group is dedicated to conduct theoretical research exploring the challenges in this area. The major areas of research include: 1) Yeast Protein Interactions; 2) Protein Structures; and 3) Current Transport through Small Molecules.

  18. Multi-physics fluid-structure interaction modelling software

    CSIR Research Space (South Africa)

    Malan, AG

    2008-11-01

    Full Text Available The CSIR reseachers developed a new ground-breaking sofware modelling technlogies to be used in the design of safe and efficient next-generation aircraft. The field of Fluid-structure interaction (FIS) covers a massive range of engineering problems...

  19. Thesaurus Structure Design: A Conceptual Approach for Improved Interaction.

    Science.gov (United States)

    Lopez-Huertas, Maria J.

    1997-01-01

    Explores creating a thesaurus from a cognitive viewpoint, based on a system that organizes its knowledge representation/classification according to the authors' and users' images of the subject domain, in order to increase user-text interaction. Discusses the general framework, methods for implementing author-text structures, and an approach…

  20. Structural mode significance using INCA. [Interactive Controls Analysis computer program

    Science.gov (United States)

    Bauer, Frank H.; Downing, John P.; Thorpe, Christopher J.

    1990-01-01

    Structural finite element models are often too large to be used in the design and analysis of control systems. Model reduction techniques must be applied to reduce the structural model to manageable size. In the past, engineers either performed the model order reduction by hand or used distinct computer programs to retrieve the data, to perform the significance analysis and to reduce the order of the model. To expedite this process, the latest version of INCA has been expanded to include an interactive graphical structural mode significance and model order reduction capability.

  1. Fluid-Structure Interaction Mechanisms for Close-In Explosions

    Directory of Open Access Journals (Sweden)

    Andrew B. Wardlaw Jr.

    2000-01-01

    Full Text Available This paper examines fluid-structure interaction for close-in internal and external underwater explosions. The resulting flow field is impacted by the interaction between the reflected explosion shock and the explosion bubble. This shock reflects off the bubble as an expansion that reduces the pressure level between the bubble and the target, inducing cavitation and its subsequent collapse that reloads the target. Computational examples of several close-in interaction cases are presented to document the occurrence of these mechanisms. By comparing deformable and rigid body simulations, it is shown that cavitation collapse can occur solely from the shock-bubble interaction without the benefit of target deformation. Addition of a deforming target lowers the flow field pressure, facilitates cavitation and cavitation collapse, as well as reducing the impulse of the initial shock loading.

  2. Numerical procedure for fluid-structure interaction with structure displacements limited by a rigid obstacle

    Directory of Open Access Journals (Sweden)

    Yakhlef O.

    2017-06-01

    Full Text Available A fixed point algorithmis proposed to solve a fluid-structure interaction problem with the supplementary constraint that the structure displacements are limited by a rigid obstacle. Fictitious domain approach with penalization is used for the fluid equations. The surface forces from the fluid acting on the structure are computed using the fluid solution in the structure domain. The continuity of the fluid and structure velocities is imposed through the penalization parameter. The constraint of non-penetration of the elastic structure into the rigid obstacle is treated weakly. A convex constrained optimization problem is solved in order to get the structure displacements. Numerical results are presented.

  3. Interactive streaming of stored multiview video using redundant frame structures.

    Science.gov (United States)

    Cheung, Gene; Ortega, Antonio; Cheung, Ngai-Man

    2011-03-01

    While much of multiview video coding focuses on the rate-distortion performance of compressing all frames of all views for storage or non-interactive video delivery over networks, we address the problem of designing a frame structure to enable interactive multiview streaming, where clients can interactively switch views during video playback. Thus, as a client is playing back successive frames (in time) for a given view, it can send a request to the server to switch to a different view while continuing uninterrupted temporal playback. Noting that standard tools for random access (i.e., I-frame insertion) can be bandwidth-inefficient for this application, we propose a redundant representation of I-, P-, and "merge" frames, where each original picture can be encoded into multiple versions, appropriately trading off expected transmission rate with storage, to facilitate view switching. We first present ad hoc frame structures with good performance when the view-switching probabilities are either very large or very small. We then present optimization algorithms that generate more general frame structures with better overall performance for the general case. We show in our experiments that we can generate redundant frame structures offering a range of tradeoff points between transmission and storage, e.g., outperforming simple I-frame insertion structures by up to 45% in terms of bandwidth efficiency at twice the storage cost.

  4. Fluid/structure interaction in BERDYNE (Level 4)

    International Nuclear Information System (INIS)

    Fox, M.J.H.

    1988-02-01

    A fluid-structure interaction capability has been developed for Level 4 of the finite element dynamics code BERDYNE, as part of the BERSAFE structural analysis system. This permits analysis of small amplitude free or forced vibration of systems comprising elastic structural components and inviscid volumes of possibly compressible fluid. Free fluid surfaces under the influence of gravity may be present. The formulation chosen uses the rigid walled fluid modes, calculated in a preliminary stage, as a basis for description of the coupled system, providing symmetric system matrices for which efficient solution procedures are available. The inclusion of the fluid modal variables within the system matrices is carried out through the use of the BERDYNE 'substructuring' feature, which allows the inclusion of very general 'super-elements' among the normal structural elements. The program also has a seismic analysis capability, used for the analysis of fluid-structure systems subjected to a specified support acceleration time history. In this case analysis is carried out in terms of relative structural motions, but absolute fluid pressures. Application of the BERDYNE fluid/structure interaction capability to some simple test cases produced results in good agreement with results obtained by analytic or independent numerical techniques. Full instructions on the use of the facility will be included in the BERDYNE Level 4 documentation. Interim documentation for the pre-release version is available from the author. (author)

  5. Development of an MDO platform for aero-structural interactions

    Directory of Open Access Journals (Sweden)

    Hu Zhe

    2017-01-01

    Full Text Available An interactive MDO platform for multivariate and high coupling aero-structural interactions is presented in this paper. Programs based on RSM and GA are utilized as optimization solver, which is connected with CAD/CAE software by a friendly GUI. To generate and modify CAD models in the analysis and optimization process, CATIA Automation Technique is adopted to create a CAD model generator. During the analysis process, high-fidelity models in both disciplines are used. For aircraft wing MDO problems, optimal wing shape and structural configuration can be obtained using this platform in the preliminary design phase. While the current platform is aiming at solving Aero-Structural problems in the preliminary design phase of UAV components, it also provides a reference solution for other related MDO problems. Two cases are provided to verify the validity and practicability of this platform. Besides the design ideas and techniques, this paper also demonstrates its further development capabilities.

  6. Fluid-structure interaction in fast breeder reactors

    Science.gov (United States)

    Mitra, A. A.; Manik, D. N.; Chellapandi, P. A.

    2004-05-01

    A finite element model for the seismic analysis of a scaled down model of Fast breeder reactor (FBR) main vessel is proposed to be established. The reactor vessel, which is a large shell structure with a relatively thin wall, contains a large volume of sodium coolant. Therefore, the fluid structure interaction effects must be taken into account in the seismic design. As part of studying fluid-structure interaction, the fundamental frequency of vibration of a circular cylindrical shell partially filled with a liquid has been estimated using Rayleigh's method. The bulging and sloshing frequencies of the first four modes of the aforementioned system have been estimated using the Rayleigh-Ritz method. The finite element formulation of the axisymmetric fluid element with Fourier option (required due to seismic loading) is also presented.

  7. Dynamical soil-structure interactions: influence of soil behaviour nonlinearities

    International Nuclear Information System (INIS)

    Gandomzadeh, Ali

    2011-01-01

    The interaction of the soil with the structure has been largely explored the assumption of material and geometrical linearity of the soil. Nevertheless, for moderate or strong seismic events, the maximum shear strain can easily reach the elastic limit of the soil behavior. Considering soil-structure interaction, the nonlinear effects may change the soil stiffness at the base of the structure and therefore energy dissipation into the soil. Consequently, ignoring the nonlinear characteristics of the dynamic soil-structure interaction (DSSI) this phenomenon could lead to erroneous predictions of structural response. The goal of this work is to implement a fully nonlinear constitutive model for soils into a numerical code in order to investigate the effect of soil nonlinearity on dynamic soil structure interaction. Moreover, different issues are taken into account such as the effect of confining stress on the shear modulus of the soil, initial static condition, contact elements in the soil-structure interface, etc. During this work, a simple absorbing layer method based on a Rayleigh/Caughey damping formulation, which is often already available in existing Finite Element softwares, is also presented. The stability conditions of the wave propagation problems are studied and it is shown that the linear and nonlinear behavior are very different when dealing with numerical dispersion. It is shown that the 10 points per wavelength rule, recommended in the literature for the elastic media is not sufficient for the nonlinear case. The implemented model is first numerically verified by comparing the results with other known numerical codes. Afterward, a parametric study is carried out for different types of structures and various soil profiles to characterize nonlinear effects. Different features of the DSSI are compared to the linear case: modification of the amplitude and frequency content of the waves propagated into the soil, fundamental frequency, energy dissipation in

  8. Optimizing Interacting Potentials to Form Targeted Materials Structures

    Energy Technology Data Exchange (ETDEWEB)

    Torquato, Salvatore [Princeton Univ., NJ (United States)

    2015-09-28

    Conventional applications of the principles of statistical mechanics (the "forward" problems), start with particle interaction potentials, and proceed to deduce local structure and macroscopic properties. Other applications (that may be classified as "inverse" problems), begin with targeted configurational information, such as low-order correlation functions that characterize local particle order, and attempt to back out full-system configurations and/or interaction potentials. To supplement these successful experimental and numerical "forward" approaches, we have focused on inverse approaches that make use of analytical and computational tools to optimize interactions for targeted self-assembly of nanosystems. The most original aspect of our work is its inherently inverse approach: instead of predicting structures that result from given interaction potentials among particles, we determine the optimal potential that most robustly stabilizes a given target structure subject to certain constraints. Our inverse approach could revolutionize the manner in which materials are designed and fabricated. There are a number of very tangible properties (e.g. zero thermal expansion behavior), elastic constants, optical properties for photonic applications, and transport properties.

  9. Soil-structure interaction Vol.3. Influence of ground water

    International Nuclear Information System (INIS)

    Costantino, C.J.

    1986-04-01

    This study has been performed for the Nuclear Regulatory Commission (NRC) by the Structural Analysis Division of Brookhaven National Laboratory (BNL). The study was conducted during the fiscal year 1965 on the program entitled 'Benchmarking of Structural Engineering Problems' sponsored by NRC. The program considered three separate but complementary problems, each associated with the soil-structure interaction (551) phase of the seismic response analysis of nuclear plant facilities. The reports, all entitled Soil-Structure Interaction, are presented in three separate volumes, namely: Vol. 1 Influence of Layering by AJ Philippacopoulos, Vol. 2 Influence of Lift-Off by C.A. Miller, Vol. 3 Influence of Ground Water by C.J. Costantino. The two problems presented in Volumes 2 and 3 were conducted at the City University of New York (CUNY) under subcontract to BNL. This report, Volume 3 of the report, presents a summary of the first year's effort on the subject of the influence of foundation ground water on the SSI phenomenon. A finite element computer program was developed for the two-phased formulation of the combined soil-water problem. This formulation is based on the Biot dynamic equations of motion for both the solid and fluid phases of a typical soil. Frequency dependent interaction coefficients were generated for the two-dimensional plane problem of a rigid surface footing moving against a saturated linear soil. The results indicate that interaction coefficients are significantly modified as compared to the comparable values for a dry soil, particularly for the rocking mode of response. Calculations were made to study the impact of the modified interaction coefficients on the response of a typical nuclear reactor building. The amplification factors for a stick model placed atop a dry and saturated soil were computed. It was found that pore water caused the rocking response to decrease and translational response to increase over the frequency range of interest, as

  10. Centrifuge modelling of seismic soil structure interaction effects

    International Nuclear Information System (INIS)

    Ghosh, B.; Madabhushi, S.P.G.

    2007-01-01

    Proper understanding of the role of unbounded soil in the evaluation of dynamic soil structure interaction (SSI) problem is very important for structures used in the nuclear industry. In this paper, the results from a series of dynamic centrifuge tests are reported. These tests were performed on different types of soil stratifications supporting a rigid containment structure. Test results indicate that accelerations transmitted to the structure's base are dependent on the stiffness degradation in the supporting soil. Steady build up of excess pore pressure leads to softening of the soil, which decreases the shear modulus and shear strength and subsequently changes the dynamic responses. It is also shown that the presence of the structure reduces the translational component of the input base motion and induces rocking of the structure. The test results are compared with some standard formulae used for evaluating interaction in the various building codes. It was concluded that the dynamic shear modulus values used should be representative of the site conditions and can vary dramatically due to softening. Damping values used are still very uncertain and contain many factors, which cannot be accounted in the experiments. It is emphasized that simplified design processes are important to gain an insight into the behaviour of the physical mechanism but for a complete understanding of the SSI effects sophisticated methods are necessary to account for non-linear behaviour of the soil material

  11. Considerations about soil-structures interaction in nuclear power plants

    International Nuclear Information System (INIS)

    Muzzi, F.

    1977-01-01

    The main features of the soil-structure interaction for nuclear power plant are presented as they resulted from conservations that the author carried out at the Berkeley (California) University, at the California Institute of Technology and at the U.S. Nuclear Regulatory Commission in Washington (Dec 1975). The complete and inertial interaction approaches of analysis are discussed. The complete approach by the use of finite element technique as suggested by the U.S.N.R.C. Standard Review Plan 3.7.1. (June 1975) is finally described. (author)

  12. Studies on melt-water-structure interaction during severe accidents

    Energy Technology Data Exchange (ETDEWEB)

    Sehgal, B.R.; Dinh, T.N.; Okkonen, T.J.; Bui, V.A.; Nourgaliev, R.R.; Andersson, J. [Royal Inst. of Technology, Div. of Nucl. Power Safety, Stockholm (Sweden)

    1996-10-01

    Results of a series of studies, on melt-water-structure interactions which occur during the progression of a core melt-down accident, are described. The emphasis is on the in-vessel interactions and the studies are both experimental and analytical. Since, the studies performed resulted in papers published in proceedings of the technical meetings, and in journals, copies of a set of selected papers are attached to provide details. A summary of the results obtained is provided for the reader who does not, or cannot, venture into the perusal of the attached papers. (au).

  13. An experimental study on soil-structure interaction effects

    International Nuclear Information System (INIS)

    Mita, Akira; Kumagai, Shigeru

    1989-01-01

    The soil-structure interaction effects play an important role in the earthquake response of large scale structures such as nuclear power plants. Recent decades, many experimental and analytical studies have been conducted. Even though sophisticated analytical tools are ready to use, complicated soil-structure interaction problems such as those with a complex geometry can not be solved yet. For such problems a laboratory experiment is a powerful alternative. In the laboratory experiment, a device to absorb the reflected waves is always necessary to be attached on the boundaries of the soil model to simulate the semi-infiniteness of the actual ground. But unfortunately absorbing devices currently available are far from satisfactory. In this paper, a new experimental method is employed for soil-structure interaction problems to simulate the semi-infiniteness of the actual ground. The present method utilizes the characteristics of transient response to an impulse load so that no special treatment on the boundaries of the soil model is required. This technique is applicable to a linear elastic system whose impulse response decreases to a small enough value before observing the reflected waves. (author)

  14. DNA Structure and Stability Tutorial: Interactive animations of the DNA three-dimensional structure

    Directory of Open Access Journals (Sweden)

    Larissa Assis Barony Valadares Fonseca

    2017-10-01

    Full Text Available The tutorial "DNA Structure and Stability" was developed articulating Ausubel's Theory of Meaningful Learning and Mayer's Multimedia principles, in order to favor the DNA structure significant learning through the guided and gradual exploration of the DNA three-dimensional structure interactive animations. In this sense, conceptual units with auxiliary medias have been established, such as texts, diagrams and tables, which assist in the explanation of animations. Several chemical and biochemical concepts are explained in order to favor understanding of DNA as a biopolymer determined by its intra/intermolecular chemical interactions that consequently establish the structure/stability relationships and structure/biological activity. In this way, was developed an interactive tutorial that can be used in several teaching and learning situations in order to favor the construction of knowledge by the learner.

  15. Visual Interaction with Dimensionality Reduction: A Structured Literature Analysis.

    Science.gov (United States)

    Sacha, Dominik; Zhang, Leishi; Sedlmair, Michael; Lee, John A; Peltonen, Jaakko; Weiskopf, Daniel; North, Stephen C; Keim, Daniel A

    2017-01-01

    Dimensionality Reduction (DR) is a core building block in visualizing multidimensional data. For DR techniques to be useful in exploratory data analysis, they need to be adapted to human needs and domain-specific problems, ideally, interactively, and on-the-fly. Many visual analytics systems have already demonstrated the benefits of tightly integrating DR with interactive visualizations. Nevertheless, a general, structured understanding of this integration is missing. To address this, we systematically studied the visual analytics and visualization literature to investigate how analysts interact with automatic DR techniques. The results reveal seven common interaction scenarios that are amenable to interactive control such as specifying algorithmic constraints, selecting relevant features, or choosing among several DR algorithms. We investigate specific implementations of visual analysis systems integrating DR, and analyze ways that other machine learning methods have been combined with DR. Summarizing the results in a "human in the loop" process model provides a general lens for the evaluation of visual interactive DR systems. We apply the proposed model to study and classify several systems previously described in the literature, and to derive future research opportunities.

  16. Significance of structure–soil–structure interaction for closely spaced structures

    Energy Technology Data Exchange (ETDEWEB)

    Roy, Christine, E-mail: chroy@sgh.com; Bolourchi, Said, E-mail: sbolourchi@sgh.com; Eggers, Daniel, E-mail: dweggers@sgh.com

    2015-12-15

    Nuclear facilities typically consist of many closely spaced structures with different sizes and depths of embedment. Seismic response of each structure could be influenced by dynamic structure–soil–structure interaction (SSSI) behavior of adjacent closely spaced structures. This paper examines the impact of SSSI on the in-structure response spectra (ISRS) and peak accelerations of a light structure adjacent to a heavy structure and of a heavy structure adjacent to a similar heavy structure for several soil cases, foundation embedment depths, and separation distances. The impacts of a heavy surface or embedded structure on adjacent ground motions were studied. The analyses demonstrated the adjacent ground motions are sensitive to foundation embedment, soil profile, response frequency, and distance from the structure. Seismic responses of a light structure located near a heavy structure are calculated either by modeling both structures subjected to free field motions, or performing a cascade analysis by considering the light structure model subjected to modified ground motions due to the heavy structure. Cascade SSSI analyses are shown to adequately account for the effect of the heavy structure on the light structure without explicitly modeling both structures together in a single analysis. To further study the influence of SSSI behavior, this paper examines dynamic response of two adjacent heavy structures and compares this response to response of a single heavy structure neglecting adjacent structures. The SSSI responses of the two heavy structures are evaluated for varying soil conditions and structure separation distances using three-dimensional linear SSI analyses and considering anti-symmetry boundary conditions. The analyses demonstrate that the SSSI response of a light or a heavy structure can be influenced by the presence of a nearby heavy structure. Although this study considers linear analysis methodology, the conclusion of SSSI influences on dynamic

  17. Oligomeric protein structure networks: insights into protein-protein interactions

    Directory of Open Access Journals (Sweden)

    Brinda KV

    2005-12-01

    Full Text Available Abstract Background Protein-protein association is essential for a variety of cellular processes and hence a large number of investigations are being carried out to understand the principles of protein-protein interactions. In this study, oligomeric protein structures are viewed from a network perspective to obtain new insights into protein association. Structure graphs of proteins have been constructed from a non-redundant set of protein oligomer crystal structures by considering amino acid residues as nodes and the edges are based on the strength of the non-covalent interactions between the residues. The analysis of such networks has been carried out in terms of amino acid clusters and hubs (highly connected residues with special emphasis to protein interfaces. Results A variety of interactions such as hydrogen bond, salt bridges, aromatic and hydrophobic interactions, which occur at the interfaces are identified in a consolidated manner as amino acid clusters at the interface, from this study. Moreover, the characterization of the highly connected hub-forming residues at the interfaces and their comparison with the hubs from the non-interface regions and the non-hubs in the interface regions show that there is a predominance of charged interactions at the interfaces. Further, strong and weak interfaces are identified on the basis of the interaction strength between amino acid residues and the sizes of the interface clusters, which also show that many protein interfaces are stronger than their monomeric protein cores. The interface strengths evaluated based on the interface clusters and hubs also correlate well with experimentally determined dissociation constants for known complexes. Finally, the interface hubs identified using the present method correlate very well with experimentally determined hotspots in the interfaces of protein complexes obtained from the Alanine Scanning Energetics database (ASEdb. A few predictions of interface hot

  18. On RNA-RNA interaction structures of fixed topological genus.

    Science.gov (United States)

    Fu, Benjamin M M; Han, Hillary S W; Reidys, Christian M

    2015-04-01

    Interacting RNA complexes are studied via bicellular maps using a filtration via their topological genus. Our main result is a new bijection for RNA-RNA interaction structures and a linear time uniform sampling algorithm for RNA complexes of fixed topological genus. The bijection allows to either reduce the topological genus of a bicellular map directly, or to lose connectivity by decomposing the complex into a pair of single stranded RNA structures. Our main result is proved bijectively. It provides an explicit algorithm of how to rewire the corresponding complexes and an unambiguous decomposition grammar. Using the concept of genus induction, we construct bicellular maps of fixed topological genus g uniformly in linear time. We present various statistics on these topological RNA complexes and compare our findings with biological complexes. Furthermore we show how to construct loop-energy based complexes using our decomposition grammar. Copyright © 2015 Elsevier Inc. All rights reserved.

  19. Soil structure interaction in offshore wind turbine collisions

    DEFF Research Database (Denmark)

    Samsonovs, Artjoms; Giuliani, Luisa; Zania, Varvara

    2014-01-01

    after a ship collision, thus providing an insight on the consequences of a collision event and on the main aspects to be considered when designing for this load case. In particular, the role of the foundation soil properties (site conditions) on the response of the structural system is investigated....... Dynamic finite element analyses have been performed taking into account the geometric and material nonlinearity of the tower, and the effects of soil structure interaction (SSI) have been studied in two representative collision scenarios of a service vessel with the turbine: a moderate energy impact...

  20. Optimization of morphing flaps based on fluid structure interaction modeling

    DEFF Research Database (Denmark)

    Barlas, Athanasios; Akay, Busra

    2018-01-01

    This article describes the design optimization of morphing trailing edge flaps for wind turbines with ‘smart blades’. A high fidelity Fluid Structure Interaction (FSI) simulation framework is utilized, comprised of 2D Finite Element Analysis (FEA) and Computational Fluid Dynamics (CFD) models....... A coupled aero-structural simulation of a 10% chordwise length morphing trailing edge flap for a 4 MW wind turbine rotor is carried out and response surfaces are produced with respect to the flap internal geometry design parameters for the design conditions. Surrogate model based optimization is applied...

  1. CISM Summer School on Fluid-Structure Interactions in Acoustics

    CERN Document Server

    1999-01-01

    The subject of the book is directly related to environmental noise and vibration phenomena (sound emission by vibrating structures, prediction and reduction, ...). Transportation noise is one of the main applications. The book presents an overview of the most recent knowledge on interaction phenomena between a structure and a fluid, including nonlinear aspects. It covers all aspects of the phenomena, from the mathematical modeling up to the applications to automotive industrial problems. The aim is to provide readers with a good understanding of the physical phenomena as well as the most recent knowledge of predictive methods.

  2. Dynamic soil-structure interaction of monopod and polypod foundations

    DEFF Research Database (Denmark)

    Andersen, Lars Vabbersgaard

    2016-01-01

    The paper concerns the importance of through–soil coupling for structures having foundations with more footings. First, a model for dynamic analysis of polypod footings is established in the frequency domain, employing Green’s function for wave propagation in a layered half-space. To allow analysis...... within the time domain, frequency-independent lumped-parameter models are developed. The paper proposes a decision criterion for determination of which components must be included within a lumped-parameter model in order to account for the structure–soil–structure interaction in an adequate and efficient...

  3. Seismic soil structure interaction: analysis and centrifuge model studies

    International Nuclear Information System (INIS)

    Finn, W.D.L.; Ledbetter, R.H.; Beratan, L.L.

    1985-01-01

    A method for non-linear dynamic effective stress analysis is introduced which is applicable to soil-structure interaction problems. Full interaction including slip between structure and foundation is taken into account and the major factors are included which must be considered when computing dynamic soil response. An experimental investigation was conducted using simulated earthquake tests on centrifuged geotechnical models in order to obtain prototype response data of foundation soils carrying both surface and embedded structures and to validate the dynamic effective stress analysis. Horizontal and vertical accelerations were measured at various points on structures and in the sand foundation. Seismically-induced pore water pressure changes were also measured at various locations in the foundation. Computer plots of the data were obtained while the centrifuge was in flight and representative samples are presented. The results show clearly the pronounced effect that increasing pore water pressures have on dynamic response. It is demonstrated that a coherent picture of dynamic response of soil-structure systems is provided by dynamic effective stress non-linear analysis. Based on preliminary results, it appears that the pore water pressure effects can be predicted

  4. Seismic soil-structure interaction: Analysis and centrifuge model studies

    International Nuclear Information System (INIS)

    Finn, W.D.L.; Ledbetter, R.H.; Beratan, L.L.

    1986-01-01

    A method for nonlinear dynamic effective stress analysis applicable to soil-structure interaction problems is introduced. Full interaction including slip between structure and foundation is taken into account and the major factors that must be considered when computing dynamic soil response are included. An experimental investigation using simulated earthquake tests on centrifuged geotechnical models was conducted to obtain prototype response data of foundation soils carrying both surface and embedded structures and to validate the dynamic effective stress analysis. The centrifuge tests were conducted in the Geotechnical Centrifuge at Cambridge University, England. Horizontal and vertical accelerations were measured at various points on structures and in the sand foundation. Seismically induced pore water pressure changes were also measured at various locations in the foundation. Computer plots of the data were obtained while the centrifuge was in flight and representative samples are presented. The results clearly show the pronounced effect of increasing pore water pressures on dynamic response. It is demonstrated that a coherent picture of dynamic response of soil-structure systems is provided by dynamic effective stress nonlinear analysis. On the basis of preliminary results, it appears that the effects of pore water pressure can be predicted. (orig.)

  5. Modeling Fluid-Structure Interaction in ANSYS Workbench

    Science.gov (United States)

    2016-08-31

    Briefing Charts 3. DATES COVERED (From - To) 31 August 2016 – 03 October 2016 4. TITLE AND SUBTITLE Modeling Fluid-Structure Interaction in ANSYS Workbench...Standard Form 298 (Rev. 8-98) Prescribed by ANSI Std. 239.18 1 D IS TR IB U TI O N S TA TE M EN T A .A pp ro ve d fo rp ub lic re le as e; di st rib

  6. Computational Study of Colloidal Droplet Interactions with Three Dimensional Structures

    Science.gov (United States)

    2015-05-18

    create a novel multiphysics model that enables the prediction of colloidal droplet interactions with complex porous structures; (b) advance the...diameter and penetration depth. (2) A model for the transport and deposition of nanoparticles in the porous matrix during droplet sorption was...process. The main research goals of this proposal are to (a) create a novel multiphysics model that enables the prediction of colloidal droplet

  7. Human cancer protein-protein interaction network: a structural perspective.

    Directory of Open Access Journals (Sweden)

    Gozde Kar

    2009-12-01

    Full Text Available Protein-protein interaction networks provide a global picture of cellular function and biological processes. Some proteins act as hub proteins, highly connected to others, whereas some others have few interactions. The dysfunction of some interactions causes many diseases, including cancer. Proteins interact through their interfaces. Therefore, studying the interface properties of cancer-related proteins will help explain their role in the interaction networks. Similar or overlapping binding sites should be used repeatedly in single interface hub proteins, making them promiscuous. Alternatively, multi-interface hub proteins make use of several distinct binding sites to bind to different partners. We propose a methodology to integrate protein interfaces into cancer interaction networks (ciSPIN, cancer structural protein interface network. The interactions in the human protein interaction network are replaced by interfaces, coming from either known or predicted complexes. We provide a detailed analysis of cancer related human protein-protein interfaces and the topological properties of the cancer network. The results reveal that cancer-related proteins have smaller, more planar, more charged and less hydrophobic binding sites than non-cancer proteins, which may indicate low affinity and high specificity of the cancer-related interactions. We also classified the genes in ciSPIN according to phenotypes. Within phenotypes, for breast cancer, colorectal cancer and leukemia, interface properties were found to be discriminating from non-cancer interfaces with an accuracy of 71%, 67%, 61%, respectively. In addition, cancer-related proteins tend to interact with their partners through distinct interfaces, corresponding mostly to multi-interface hubs, which comprise 56% of cancer-related proteins, and constituting the nodes with higher essentiality in the network (76%. We illustrate the interface related affinity properties of two cancer-related hub

  8. Assessment of soil/structure interaction analysis procedures for nuclear power plant structures

    International Nuclear Information System (INIS)

    Young, G.A.; Wei, B.C.

    1977-01-01

    The paper presents an assessment of two state-of-the-art soil/structure interaction analysis procedures that are frequently used to provide seismic analyses of nuclear power plant structures. The advantages of large three-dimensional, elastic, discrete mass models and two-dimensional finite element models are compared. The discrete mass models can provide three-dimensional response capability with economical computer costs but only fair soil/structure interaction representation. The two-dimensional finite element models provide good soil/structure interaction representation, but cannot provide out-of-plane response. Three-dimensional finite element models would provide the most informative and complete analyses. For this model, computer costs would be much greater, but modeling costs would be approximately the same as those required for three-dimensional discrete mass models

  9. Structured learning of human interactions in TV shows.

    Science.gov (United States)

    Patron-Perez, Alonso; Marszalek, Marcin; Reid, Ian; Zisserman, Andrew

    2012-12-01

    The objective of this work is recognition and spatiotemporal localization of two-person interactions in video. Our approach is person-centric. As a first stage we track all upper bodies and heads in a video using a tracking-by-detection approach that combines detections with KLT tracking and clique partitioning, together with occlusion detection, to yield robust person tracks. We develop local descriptors of activity based on the head orientation (estimated using a set of pose-specific classifiers) and the local spatiotemporal region around them, together with global descriptors that encode the relative positions of people as a function of interaction type. Learning and inference on the model uses a structured output SVM which combines the local and global descriptors in a principled manner. Inference using the model yields information about which pairs of people are interacting, their interaction class, and their head orientation (which is also treated as a variable, enabling mistakes in the classifier to be corrected using global context). We show that inference can be carried out with polynomial complexity in the number of people, and describe an efficient algorithm for this. The method is evaluated on a new dataset comprising 300 video clips acquired from 23 different TV shows and on the benchmark UT--Interaction dataset.

  10. Soil-structure interaction in fuel handling building

    International Nuclear Information System (INIS)

    Elaidi, B.M.; Eissa, M.A.

    1998-01-01

    This paper presents an accurate three-dimensional seismic soil-structure interaction analysis for large structures. The method is applied to the fuel building in nuclear power plants. The analysis is performed numerically in the frequency domain and the responses are obtained by inverse Fourier transformation. The size of the structure matrices is reduced by transforming the equation of motion to the modal coordinate system. The soil is simulated as a layered media on top of viscoelastic half space. Soil impedance matrices are calculated from the principles of continuum mechanics and account for soil stiffness and energy dissipation. Effects of embedment on the field equations is incorporated through the scattering matrices or by simply scaling the soil impedance. Finite element methods are used to discretize the concrete foundation for the generation of the soil interaction matrices. Decoupling of the sloshing water in the spent fuel pools and the free-standing spent fuel racks is simulated. The input seismic motions are defined by three artificial time history accelerations. These input motions are generated to match the ground design basis response spectra and the target power spectral density function. The methods described in this paper can handle arbitrary foundation layouts, allows for large structural models, and accurately represents the soil impedance. Time history acceleration responses were subsequently used to generate floor response spectra at applicable damping values. (orig.)

  11. Dark matter self-interactions and small scale structure

    Science.gov (United States)

    Tulin, Sean; Yu, Hai-Bo

    2018-02-01

    We review theories of dark matter (DM) beyond the collisionless paradigm, known as self-interacting dark matter (SIDM), and their observable implications for astrophysical structure in the Universe. Self-interactions are motivated, in part, due to the potential to explain long-standing (and more recent) small scale structure observations that are in tension with collisionless cold DM (CDM) predictions. Simple particle physics models for SIDM can provide a universal explanation for these observations across a wide range of mass scales spanning dwarf galaxies, low and high surface brightness spiral galaxies, and clusters of galaxies. At the same time, SIDM leaves intact the success of ΛCDM cosmology on large scales. This report covers the following topics: (1) small scale structure issues, including the core-cusp problem, the diversity problem for rotation curves, the missing satellites problem, and the too-big-to-fail problem, as well as recent progress in hydrodynamical simulations of galaxy formation; (2) N-body simulations for SIDM, including implications for density profiles, halo shapes, substructure, and the interplay between baryons and self-interactions; (3) semi-analytic Jeans-based methods that provide a complementary approach for connecting particle models with observations; (4) merging systems, such as cluster mergers (e.g., the Bullet Cluster) and minor infalls, along with recent simulation results for mergers; (5) particle physics models, including light mediator models and composite DM models; and (6) complementary probes for SIDM, including indirect and direct detection experiments, particle collider searches, and cosmological observations. We provide a summary and critical look for all current constraints on DM self-interactions and an outline for future directions.

  12. Structured Light-Matter Interactions Enabled By Novel Photonic Materials

    Energy Technology Data Exchange (ETDEWEB)

    Litchinitser, Natalia [Univ. at Buffalo, NY (United States); Feng, Liang [Univ. at Buffalo, NY (United States)

    2017-05-02

    The synergy of complex materials and complex light is expected to add a new dimension to the science of light and its applications [1]. The goal of this program is to investigate novel phenomena emerging at the interface of these two branches of modern optics. While metamaterials research was largely focused on relatively “simple” linearly or circularly polarized light propagation in “complex” nanostructured, carefully designed materials with properties not found in nature, many singular optics studies addressed “complex” structured light transmission in “simple” homogeneous, isotropic, nondispersive transparent media, where both spin and orbital angular momentum are independently conserved. However, if both light and medium are complex so that structured light interacts with a metamaterial whose optical materials properties can be designed at will, the spin or angular momentum can change, which leads to spin-orbit interaction and many novel optical phenomena that will be studied in the proposed project. Indeed, metamaterials enable unprecedented control over light propagation, opening new avenues for using spin and quantum optical phenomena, and design flexibility facilitating new linear and nonlinear optical properties and functionalities, including negative index of refraction, magnetism at optical frequencies, giant optical activity, subwavelength imaging, cloaking, dispersion engineering, and unique phase-matching conditions for nonlinear optical interactions. In this research program we focused on structured light-matter interactions in complex media with three particularly remarkable properties that were enabled only with the emergence of metamaterials: extreme anisotropy, extreme material parameters, and magneto-electric coupling–bi-anisotropy and chirality.

  13. Dynamic soil-structure interaction of monopod and polypod foundations

    DEFF Research Database (Denmark)

    Andersen, Lars Vabbersgaard

    2016-01-01

    The paper concerns the importance of through–soil coupling for structures having foundations with more footings. First, a model for dynamic analysis of polypod footings is established in the frequency domain, employing Green’s function for wave propagation in a layered half-space. To allow analysis...... within the time domain, frequency-independent lumped-parameter models are developed. The paper proposes a decision criterion for determination of which components must be included within a lumped-parameter model in order to account for the structure–soil–structure interaction in an adequate and efficient...... manner. As a computational example, the dynamic response of a plane frame structure with two footings is compared for two cases: one with and one without the cross coupling. Homogeneous as well as layered soil is considered....

  14. Dynamic Analysis of Wind Turbines Including Soil-Structure Interaction

    DEFF Research Database (Denmark)

    Harte, M.; Basu, B.; Nielsen, Søren R.K.

    2012-01-01

    blades and includes the effect of centrifugal stiffening due to rotation. The foundation of the structure is modeled as a rigid gravity based foundation with two DOF whose movement is related to the surrounding soil by means of complex impedance functions generated using cone model. Transfer functions...... for displacement of the turbine system are obtained and the modal frequencies of the combined turbine-foundation system are estimated. Simulations are presented for the MDOF turbine structure subjected to wind loading for different soil stiffness conditions. Steady state and turbulent wind loading, developed using...... blade element momentum theory and the Kaimal spectrum, have been considered. Soil stiffness and damping properties acquired from DNV/Risø standards are used as a comparison. The soil-structure interaction is shown to affect the response of the wind turbine. This is examined in terms of the turbine...

  15. Shock-driven fluid-structure interaction for civil design

    Energy Technology Data Exchange (ETDEWEB)

    Wood, Stephen L [ORNL; Deiterding, Ralf [ORNL

    2011-11-01

    The multiphysics fluid-structure interaction simulation of shock-loaded structures requires the dynamic coupling of a shock-capturing flow solver to a solid mechanics solver for large deformations. The Virtual Test Facility combines a Cartesian embedded boundary approach with dynamic mesh adaptation in a generic software framework of flow solvers using hydrodynamic finite volume upwind schemes that are coupled to various explicit finite element solid dynamics solvers (Deiterding et al., 2006). This paper gives a brief overview of the computational approach and presents first simulations that utilize the general purpose solid dynamics code DYNA3D for complex 3D structures of interest in civil engineering. Results from simulations of a reinforced column, highway bridge, multistory building, and nuclear reactor building are presented.

  16. Nonlinear seismic soil-structure interaction analysis of nuclear power plant structures

    International Nuclear Information System (INIS)

    Khanna, J.K.; Setlur, A.V.; Pathak, D.V.

    1977-01-01

    The heterogeneous and nonlinear soil medium and the detailed three-dimensional structure are synthesized to determine the seismic response to soil-structure systems. The approach is particularly attractive in a design office environment since it: a) leads to interactive motion at the soil-structure interface; b) uses existing public domain programs such as SAPIV, LUSH and FLUSH with marginal modifications; and c) meets current regulatory requirements for soil-structure interaction analysis. Past methods differ from each other depending on the approach adopted for soil and structure representations and procedures for solving the governing differential equations. Advantages and limitations of these methods are reviewed. In the current approach, the three-dimensional structure is represented by the dynamic characteristics of its fixed base condition. This representation is ideal when structures are designed to be within elastic range. An important criterion is the design of the nuclear power plant structures. Model damping coefficients are varied to reflect the damping properties of different structural component materials. The detailed structural model is systematically reduced to reflect important dynamic behavior with simultaneous storing of intermediate information for retrieval of detailed structural response. Validity of the approach has been established with simple numerical experiments. (Auth.)

  17. Analytical study on model tests of soil-structure interaction

    International Nuclear Information System (INIS)

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

    1987-01-01

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

  18. Site response - a critical problem in soil-structure interaction analyses for embedded structures

    International Nuclear Information System (INIS)

    Seed, H.B.; Lysmer, J.

    1986-01-01

    Soil-structure interaction analyses for embedded structures must necessarily be based on a knowledge of the manner in which the soil would behave in the absence of any structure - that is on a knowledge and understanding of the spatial distribution of motions in the ground within the depth of embedment of the structure. The nature of these spatial variations is discussed and illustrated by examples of recorded motions. It is shown that both the amplitude of peak acceleration and the form of the acceleration response spectrum for earthquake motions will necessarily vary with depth and failure to take these variations into account may introduce an unwarranted degree of conservatism into the soil-structure interaction analysis procedure

  19. Scale-dependent interactions and community structure on cobble beaches.

    Science.gov (United States)

    van de Koppel, Johan; Altieri, Andrew H; Silliman, Brian R; Bruno, John F; Bertness, Mark D

    2006-01-01

    Recent theory suggests that scale-dependent interaction between facilitation and competition can generate spatial structure in ecological communities. The application of this hypothesis, however, has been limited to systems with little underlying heterogeneity. We evaluated this prediction in a plant community along an intertidal stress gradient on cobble beaches in Rhode Island, USA. Prior studies have shown that Spartina alterniflora facilitates a forb-dominated community higher in the intertidal by modifying the shoreline environment. We tested the hypothesis that, at a smaller scale, Spartina competitively excludes forb species, explaining their marked absence within the lower Spartina zone. Transplant experiments showed forb species grow significantly better in the Spartina zone when neighbours were removed. Removal of the Spartina canopy led to a massive emergence of annual forbs, showing that competition limits local occupation. These findings indicate that interaction of large-scale facilitation and small-scale competition drives plant zonation on cobble beaches. This study is the first to provide empirical evidence of scale-dependent interactions between facilitation and competition spatially structuring communities in heterogeneous environments.

  20. Influence of Soil Structure Interaction in the Structural Behaviour of a Berthing Structure in Sloping Ground

    Science.gov (United States)

    Kavitha, P. E.; Beena, K. S.; Narayanan, K. P.

    2017-12-01

    Berthing structures are constructed for embarking and disembarking of passengers and cargo on the berthing and mooring of vessels along the structure. Such structures are constructed in coastal area where ground is sloping towards the sea and soil having low shear strength value. Framed structure with flexible pile foundation is adopted for this type of structures. Behaviour of such structures is dependent on the stiffness properties of structure as well as the type of soil surrounding the structure. The present study focuses on the numerical investigations of a typical 2D berthing structure for various diameter of pile, soil modulus and bed slope.

  1. Vorticity and turbulence effects in fluid structure interaction an application to hydraulic structure design

    CERN Document Server

    Brocchini, M

    2006-01-01

    This book contains a collection of 11 research and review papers devoted to the topic of fluid-structure interaction.The subject matter is divided into chapters covering a wide spectrum of recognized areas of research, such as: wall bounded turbulence; quasi 2-D turbulence; canopy turbulence; large eddy simulation; lake hydrodynamics; hydraulic hysteresis; liquid impacts; flow induced vibrations; sloshing flows; transient pipe flow and air entrainment in dropshaft.The purpose of each chapter is to summarize the main results obtained by the individual research unit through a year-long activity on a specific issue of the above list. The main feature of the book is to bring state of the art research on fluid structure interaction to the attention of the broad international community.This book is primarily aimed at fluid mechanics scientists, but it will also be of value to postgraduate students and practitioners in the field of fluid structure interaction.

  2. Embedment Effect test on soil-structure interaction

    International Nuclear Information System (INIS)

    Nasuda, Toshiaki; Akino, Kinji; Izumi, Masanori.

    1991-01-01

    A project consisting of laboratory test and field test has been conducted to clarify the embedment effect on soil-structure interaction. The objective of this project is to obtain the data for improving and preparing seismic analysis codes regarding the behavior of embedded reactor buildings during earthquakes. This project was planned to study the effect of soil-structure interaction using small size soil-structure models as well as the large scale models. The project was started in April, 1986, and is scheduled to end in March, 1994. The laboratory test models and field test models, and the measurement with accelerometers and others are described. As the interim results, the natural frequency and damping factor increased, and the amplitude decreased by the embedment of the test models. Some earthquakes were recorded in a soft rock site. The epicenters of the earthquakes occurred in 1989 are shown. The field tests were carried out in three sites. Two sites were used for the dynamic test with four test models having 8 m x 8 m plane size and 10 m height. One site was used for the static test with one concrete block as a specimen. Two models represent BWR type reactor buildings, and two models represent PWR type buildings. (K.I.)

  3. Understanding metallic bonding: Structure, process and interaction by Rasch analysis

    Science.gov (United States)

    Cheng, Maurice M. W.; Oon, Pey-Tee

    2016-08-01

    This paper reports the results of a survey of 3006 Year 10-12 students on their understandings of metallic bonding. The instrument was developed based on Chi's ontological categories of scientific concepts and students' understanding of metallic bonding as reported in the literature. The instrument has two parts. Part one probed into students' understanding of metallic bonding as (a) a submicro structure of metals, (b) a process in which individual metal atoms lose their outermost shell electrons to form a 'sea of electrons' and octet metal cations or (c) an all-directional electrostatic force between delocalized electrons and metal cations, that is, an interaction. Part two assessed students' explanation of malleability of metals, for example (a) as a submicro structural rearrangement of metal atoms/cations or (b) based on all-directional electrostatic force. The instrument was validated by the Rasch Model. Psychometric assessment showed that the instrument possessed reasonably good properties of measurement. Results revealed that it was reliable and valid for measuring students' understanding of metallic bonding. Analysis revealed that the structure, process and interaction understandings were unidimensional and in an increasing order of difficulty. Implications for the teaching of metallic bonding, particular through the use of diagrams, critiques and model-based learning, are discussed.

  4. Structures of multidomain proteins adsorbed on hydrophobic interaction chromatography surfaces.

    Science.gov (United States)

    Gospodarek, Adrian M; Sun, Weitong; O'Connell, John P; Fernandez, Erik J

    2014-12-05

    In hydrophobic interaction chromatography (HIC), interactions between buried hydrophobic residues and HIC surfaces can cause conformational changes that interfere with separations and cause yield losses. This paper extends our previous investigations of protein unfolding in HIC chromatography by identifying protein structures on HIC surfaces under denaturing conditions and relating them to solution behavior. The thermal unfolding of three model multidomain proteins on three HIC surfaces of differing hydrophobicities was investigated with hydrogen exchange mass spectrometry (HXMS). The data were analyzed to obtain unfolding rates and Gibbs free energies for unfolding of adsorbed proteins. The melting temperatures of the proteins were lowered, but by different amounts, on the different surfaces. In addition, the structures of the proteins on the chromatographic surfaces were similar to the partially unfolded structures produced in the absence of a surface by temperature as well as by chemical denaturants. Finally, it was found that patterns of residue exposure to solvent on different surfaces at different temperatures can be largely superimposed. These findings suggest that protein unfolding on various HIC surfaces might be quantitatively related to protein unfolding in solution and that details of surface unfolding behavior might be generalized. Copyright © 2014 Elsevier B.V. All rights reserved.

  5. Fluid/structure interaction and TUF code validation

    International Nuclear Information System (INIS)

    Toong, T.

    1997-01-01

    In the course of analysis of Steam Generator (SG) divider plate integrity under Loss-Of-Coolant-Accident (LOCA) conditions, it became clear that the pressure differential across the divider plate is strongly affected by the ensuing movement of the divider plate. The effect of the divider plate movement on the thermal-hydraulics has been studied in detail at Ontario Hydro. In this paper, emphasis is placed on the fundamental physics involved in the phenomena. Two physics problems, which can be solved analytically, are presented in this paper, which may be used for code validation: 1) The first one relates to the fundamental physics of pressure wave propagation generated by the motion of the piston in a pipe, 2) The second one deals with a lumped volume (or node in simulation codes) with inlet and outlet pipes, which is representative of the bowl of a SG with the tubes and the nozzle as inlet and outlet. Fluid/structure interaction modeling for SG divider plate integrity study has been implemented in the TUF code at Ontario Hydro. The structure-to-fluid part of the coding is tested against these two physical problems. The results have demonstrated the code capability for simulations of fluid/structure interaction problems. (author)

  6. Fluid-structure interaction simulation of pulsatile ventricular assist devices

    Science.gov (United States)

    Long, C. C.; Marsden, A. L.; Bazilevs, Y.

    2013-11-01

    In this paper we present a collection of fluid-structure interaction (FSI) computational techniques that enable realistic simulation of pulsatile Ventricular Assist Devices (VADs). The simulations involve dynamic interaction of air, blood, and a thin membrane separating the two fluids. The computational challenges addressed in this work include large, buckling motions of the membrane, the need for periodic remeshing of the fluid mechanics domain, and the necessity to employ tightly coupled FSI solution strategies due to the very strong added mass effect present in the problem. FSI simulation of a pulsatile VAD at realistic operating conditions is presented for the first time. The FSI methods prove to be robust, and may be employed in the assessment of current, and the development of future, pulsatile VAD designs.

  7. Seismic response analysis with liquid-structure interaction

    International Nuclear Information System (INIS)

    Thomas, R.G.; Harrop, L.P.

    1983-06-01

    A linear transient finite element stress analysis of a water filled tank has been carried out using the proprietary computer code ANSYS. The containment structure was represented as rigidly fixed to ground. The flexibility of the tank wall was modelled together with the hydrostatic and hydrodynamic effects of the water contents and attached concentrated masses. The foundations were considered to be laid in solid rock, and no soil-structure interaction effects were included. The seismic input was a ground response spectrum conservatively representing both the Temblor and Parkfield modified time history records. It was found that the response of the structure was greatest at the front end (furthest from the point at which the tank is connected to a rigid internal structure), and that this was dominated by the fundamental mode. Higher modes are important at the back end. Buckling at the front end of the tank has been identified as a potential failure mechanism, and attention has also been called to the tensile capacity of the wall to base junction in this region. The requirement for a proper criterion against which to assess the margin against plastic collapse in a safe shutdown analysis has been noted. In certain regions the structure does not shake-down under the repeated reversed cyclic loading, and the need for an assessment of the implications of this for fatigue resistance has been indicated. (author)

  8. Soil structure interactions of eastern U.S. type earthquakes

    International Nuclear Information System (INIS)

    Chang Chen; Serhan, S.

    1991-01-01

    Two types of earthquakes have occurred in the eastern US in the past. One of them was the infrequent major events such as the 1811-1812 New Madrid Earthquakes, or the 1886 Charleston Earthquake. The other type was the frequent shallow earthquakes with high frequency, short duration and high accelerations. Two eastern US nuclear power plants, V.C Summer and Perry, went through extensive licensing effort to obtain fuel load licenses after this type of earthquake was recorded on sites and exceeded the design bases beyond 10 hertz region. This paper discusses the soil-structure interactions of the latter type of earthquakes

  9. Pose Estimation of Interacting People using Pictorial Structures

    DEFF Research Database (Denmark)

    Fihl, Preben; Moeslund, Thomas B.

    2010-01-01

    Pose estimation of people have had great progress in recent years but so far research has dealt with single persons. In this paper we address some of the challenges that arise when doing pose estimation of interacting people. We build on the pictorial structures framework and make important...... contributions by combining color-based appearance and edge information using a measure of the local quality of the appearance feature. In this way we not only combine the two types of features but dynamically find the optimal weighting of them. We further enable the method to handle occlusions by searching...

  10. Soil structure interaction calculations: a comparison of methods

    International Nuclear Information System (INIS)

    Wight, L.; Zaslawsky, M.

    1976-01-01

    Two approaches for calculating soil structure interaction (SSI) are compared: finite element and lumped mass. Results indicate that the calculations with the lumped mass method are generally conservative compared to those obtained by the finite element method. They also suggest that a closer agreement between the two sets of calculations is possible, depending on the use of frequency-dependent soil springs and dashpots in the lumped mass calculations. There is a total lack of suitable guidelines for implementing the lumped mass method of calculating SSI, which leads to the conclusion that the finite element method is generally superior for calculative purposes

  11. Decorated Ising models with competing interactions and modulated structures

    International Nuclear Information System (INIS)

    Tragtenberg, M.H.R.; Yokoi, C.S.O.; Salinas, S.R.A.

    1988-01-01

    The phase diagrams of a variety of decorated Ising lattices are calculated. The competing interactions among the decorating spins may induce different types of modulated orderings. In particular, the effect of an applied field on the phase diagram of the two-dimensional mock ANNNI model is considered, where only the original horizontal bonds on a square lattice are decorated. Some Bravais lattices and Cayley trees where all bonds are equally decorated are then studied. The Bravais lattices display a few stable modulated structures. The Cayley trees, on the other hand, display a large number of modulated phases, which increases with the lattice coordination number. (authors) [pt

  12. Intrinsic and collective structure in the interacting boson model

    International Nuclear Information System (INIS)

    Leviatan, A.

    1987-01-01

    A general non-spherical boson basis is introduced to study the excitation modes in the interacting boson model (IBM). A prescription for construction of intrinsic states is presented. The general IBM Hamiltonian is resolved exactly into intrinsic and collective parts. The limit of large boson number is discussed analytically for spectrum and transitions. The method of analysis reveals an underlying intrinsic and collective structure closely linked with symmetry considerations. The suggested new approach seems to be adequate as a tool to obtain the physical content and normal modes in any number conserving algebraic bosonic system. copyright 1987 Academic Press, Inc

  13. Intrinsic and collective structure in the interacting boson model

    Energy Technology Data Exchange (ETDEWEB)

    Leviatan, A.

    1987-11-01

    A general non-spherical boson basis is introduced to study the excitation modes in the interacting boson model (IBM). A prescription for construction of intrinsic states is presented. The general IBM Hamiltonian is resolved exactly into intrinsic and collective parts. The limit of large boson number is discussed analytically for spectrum and transitions. The method of analysis reveals an underlying intrinsic and collective structure closely linked with symmetry considerations. The suggested new approach seems to be adequate as a tool to obtain the physical content and normal modes in any number conserving algebraic bosonic system. copyright 1987 Academic Press, Inc.

  14. Dynamic Analysis of Partially Embedded Structures Considering Soil-Structure Interaction in Time Domain

    Directory of Open Access Journals (Sweden)

    Sanaz Mahmoudpour

    2011-01-01

    Full Text Available Analysis and design of structures subjected to arbitrary dynamic loadings especially earthquakes have been studied during past decades. In practice, the effects of soil-structure interaction on the dynamic response of structures are usually neglected. In this study, the effect of soil-structure interaction on the dynamic response of structures has been examined. The substructure method using dynamic stiffness of soil is used to analyze soil-structure system. A coupled model based on finite element method and scaled boundary finite element method is applied. Finite element method is used to analyze the structure, and scaled boundary finite element method is applied in the analysis of unbounded soil region. Due to analytical solution in the radial direction, the radiation condition is satisfied exactly. The material behavior of soil and structure is assumed to be linear. The soil region is considered as a homogeneous half-space. The analysis is performed in time domain. A computer program is prepared to analyze the soil-structure system. Comparing the results with those in literature shows the exactness and competency of the proposed method.

  15. Development of a Fluid Structures Interaction Test Technique for Fabrics

    Science.gov (United States)

    Zilliac, Gregory G.; Heineck, James T.; Schairer, Edward T.; Mosher, Robert N.; Garbeff, Theodore Joseph

    2012-01-01

    Application of fluid structures interaction (FSI) computational techniques to configurations of interest to the entry, descent and landing (EDL) community is limited by two factors - limited characterization of the material properties for fabrics of interest and insufficient experimental data to validate the FSI codes. Recently ILC Dover Inc. performed standard tests to characterize the static stress-strain response of four candidate fabrics for use in EDL applications. The objective of the tests described here is to address the need for a FSI dataset for CFD validation purposes. To reach this objective, the structural response of fabrics was measured in a very simple aerodynamic environment with well controlled boundary conditions. Two test series were undertaken. The first series covered a range of tunnel conditions and the second focused on conditions that resulted in fabric panel buckling.

  16. Soil-Framed Structure Interaction Analysis - A New Interface Element

    Directory of Open Access Journals (Sweden)

    M. Dalili Shoaei

    Full Text Available AbstractInterfacial behavior between soil and shallow foundation has been found so influential to combined soil-footing performance and redistribution of forces in the superstructure. This study introduces a new thin-layer interface element formulated within the context of finite element method to idealize interfacial behavior of soil-framed structure interaction with new combination of degrees of freedom at top and bottom sides of the interface element, compatible with both isoparametric beam and quadrilateral element. This research also tends to conduct a parametric study on respective parameters of the new joint element. Presence of interface element showed considerable changes in the performance of the framed structure under quasi-static loading.

  17. VPAC receptors: structure, molecular pharmacology and interaction with accessory proteins.

    Science.gov (United States)

    Couvineau, Alain; Laburthe, Marc

    2012-05-01

    The vasoactive intestinal peptide (VIP) is a neuropeptide with wide distribution in both central and peripheral nervous systems, where it plays important regulatory role in many physiological processes. VIP displays a large biological functions including regulation of exocrine secretions, hormone release, fetal development, immune responses, etc. VIP appears to exert beneficial effect in neuro-degenerative and inflammatory diseases. The mechanism of action of VIP implicates two subtypes of receptors (VPAC1 and VPAC2), which are members of class B receptors belonging to the super-family of GPCR. This article reviews the current knowledge regarding the structure and molecular pharmacology of VPAC receptors. The structure-function relationship of VPAC1 receptor has been extensively studied, allowing to understand the molecular basis for receptor affinity, specificity, desensitization and coupling to adenylyl cyclase. Those studies have clearly demonstrated the crucial role of the N-terminal ectodomain (N-ted) of VPAC1 receptor in VIP recognition. By using different approaches including directed mutagenesis, photoaffinity labelling, NMR, molecular modelling and molecular dynamic simulation, it has been shown that the VIP molecule interacts with the N-ted of VPAC1 receptor, which is itself structured as a 'Sushi' domain. VPAC1 receptor also interacts with a few accessory proteins that play a role in cell signalling of receptors. Recent advances in the structural characterization of VPAC receptor and more generally of class B GPCRs will lead to the design of new molecules, which could have considerable interest for the treatment of inflammatory and neuro-degenerative diseases. © 2011 The Authors. British Journal of Pharmacology © 2011 The British Pharmacological Society.

  18. A symmetric positive definite formulation for monolithic fluid structure interaction

    KAUST Repository

    Robinson-Mosher, Avi

    2011-02-01

    In this paper we consider a strongly coupled (monolithic) fluid structure interaction framework for incompressible flow, as opposed to a loosely coupled (partitioned) method. This requires solving a single linear system that combines the unknown velocities of the structure with the unknown pressures of the fluid. In our previous work, we were able to obtain a symmetric formulation of this coupled system; however, it was also indefinite, making it more difficult to solve. In fact in practice there have been cases where we have been unable to invert the system. In this paper we take a novel approach that consists of factoring the damping matrix of deformable structures and show that this can be used to obtain a symmetric positive definite system, at least to the extent that the uncoupled systems were symmetric positive definite. We use a traditional MAC grid discretization of the fluid and a fully Lagrangian discretization of the structures for the sake of exposition, noting that our procedure can be generalized to other scenarios. For the special case of rigid bodies, where there are no internal damping forces, we exactly recover the system of Batty et al. (2007) [4]. © 2010 Elsevier Inc.

  19. Fluid-structure interactions in PWR vessels during blowdown

    International Nuclear Information System (INIS)

    Schumann, U.; Enderle, G.; Katz, F.; Ludwig, A.; Moesinger, H.; Schlechtendahl, E.G.

    1979-01-01

    For analysis of blowdown loadings and dynamic response of PWR vessel internals several computer codes have been developed at Karlsruhe. The goal is to provide advanced codes which permit a 'best estimate' analysis of the deformations and stresses of the internal structures, in particular the core barrel, such that the safety margins can be evaluated. The stresses reach their maxima during the initial subcooled period of the blowdown in which two-phase phenomena are important in the blowdown pipe only. In this period, the computed results with and without fluid-structural interactions show that the coupling between the water in the downcomer and the rather thin elastic core barrel is of dominant importance. Without coupling the core barrel oscillates with much higher frequencies than with coupling. The amplitudes and stresses are about twice as large initially. Later, the decoupled analysis can result in a meaningless overestimation of the structural response. By comparison of computations for incompressible and for compressible fluid with and without coupling we have found that a correct treatment of the fluid-structure coupling is more important than the description of pressure waves. (orig.)

  20. Structural Interactions within Lithium Salt Solvates: Cyclic Carbonates and Esters

    Energy Technology Data Exchange (ETDEWEB)

    Seo, D. M.; Afroz, Taliman; Allen, Joshua L.; Boyle, Paul D.; Trulove, Paul C.; De Long, Hugh C.; Henderson, Wesley A.

    2014-11-13

    Only limited information is available regarding the manner in which cyclic carbonate and ester solvents coordinate Li+ cations in electrolyte solutions for lithium batteries. One approach to gleaning significant insight into these interactions is to examine crystalline solvate structures. To this end, eight new solvate structures are reported with ethylene carbonate, γ-butyrolactone and γ-valerolactone: (EC)3:LiClO4, (EC)2:LiClO4, (EC)2:LiBF4, (GBL)4:LiPF6, (GBL)1:LiClO4, (GVL)1:LiClO4, (GBL)1:LiBF4 and (GBL)1:LiCF3SO3. The crystal structure of (EC)1:LiCF3SO3 is also re-reported for comparison. These structures enable the factors which govern the manner in which the ions are coordinated and the ion/solvent packing—in the solid-state—to be scrutinized in detail.

  1. Influence of seismic isolation systems and soil-structure interaction on the response of structures

    Directory of Open Access Journals (Sweden)

    Samah Hasrouri

    2018-01-01

    Full Text Available The reduction of cyclic loading triggering major damage in urban areas is a major challenge in earthquake engineering. The processes of structural control especially control structures for passive isolation systems and earthquake sinks of energy, which consists in superimposing on the structure a device which modifies the rigidity or the damping of the structural system without the demand for an external energy source and without introducing energy for its operation, these devices with taking account the effect of soilstructure interaction are currently regarded as effective solutions to these problem by reducing the level of acceleration imposed on the structure and consequently forces shear and the relative displacements in the superstructure. This reduction of shear forces and displacements will limit the structural damage.

  2. Impact of soil-structure interaction on the probabilistic frequency variation of concrete structures

    International Nuclear Information System (INIS)

    Hadjian, A.H.; Hamilton, C.W.

    1975-01-01

    Earthquake response of equipment in nuclear power plants is characterized by floor response spectra. Since these spectra peak at the natural frequencies of the structure, it is important, both from safety and cost standpoints, to determine the degree of the expected variability of the calculated structural frequencies. A previous work is extended on the variability of the natural frequencies of structures due to the variations of concrete properties and a rigorous approach is presented to evaluate frequency variations based on the probability distributions of both the structural and soil parameters and jointly determine the distributions of the natural frequencies. It is assumed that the soil-structure interaction coefficients are normally distributed. With the proper choice of coordinates, the simultaneous random variations of both the structural properties and the interaction coefficients can be incorporated in the eigenvalue problem. The key methodology problem is to obtain the probability distribution of eigenvalues of matrices with random variable elements. Since no analytic relation exists between the eigenvalues and the elements, a numerical procedure had to be designed. It was found that the desired accuracy can be best achieved by splitting the joint variation into two parts: the marginal distribution of soil variations and the conditional distribution of structural variations at specific soil fractiles. Then after calculating the actual eigenvalues at judiciously selected paired values of soil and structure parameters, this information is recombined to obtain the desired cumulative distribution of natural frequencies

  3. Structural mechanism of GPCR-arrestin interaction: recent breakthroughs.

    Science.gov (United States)

    Park, Ji Young; Lee, Su Youn; Kim, Hee Ryung; Seo, Min-Duk; Chung, Ka Young

    2016-03-01

    G protein-coupled receptors (GPCRs) are a major membrane receptor family with important physiological and pathological functions. In the classical signaling pathway, ligand-activated GPCRs couple to G proteins, thereby inducing G protein-dependent signaling pathways and phosphorylation by G protein-coupled receptor kinases (GRKs). This leads to an interaction with arrestins, which results in GPCR desensitization. Recently, non-classical GPCR signaling pathways, mediated by GPCR-bound arrestins, have been identified. Consequently, arrestins play important roles in GPCR signaling not only with respect to desensitization but also in relation to G protein-independent signal transduction. These findings have led to efforts to develop functionally biased (i.e. signal transduction biased) GPCR-targeting drugs. One of these efforts is aimed at understanding the structural mechanism of functionally biased GPCR signaling, which includes understanding the G protein-selectivity or arrestin-selectivity of GPCRs. This goal has not yet been achieved; however, great progress has been made during the last 3 years toward understanding the structural mechanism of GPCR-mediated arrestin activation. This review will discuss the recent breakthroughs in the conformational understanding of GPCR-arrestin interaction.

  4. Community structure of non-coding RNA interaction network

    Directory of Open Access Journals (Sweden)

    Nacher Jose C.

    2013-06-01

    Full Text Available Rapid technological advances have shown that the ratio of non-protein coding genes rises to 98.5% in humans, suggesting that current knowledge on genetic information processing might be largely incomplete. It implies that protein-coding sequences only represent a small fraction of cellular transcriptional information. Here, we examine the community structure of the network defined by functional interactions between noncoding RNAs (ncRNAs and proteins related bio-macrolecules (PRMs using a two-fold approach: modularity in bipartite network and k-clique community detection. First, the high modularity scores as well as the distribution of community sizes showing a scaling-law revealed manifestly non-random features. Second, the k-clique sub-graphs and overlaps show that the identified communities of the ncRNA molecules of H. sapiens can potentially be associated with certain functions. These findings highlight the complex modular structure of ncRNA interactions and its possible regulatory roles in the cell.

  5. Reduced order modeling of fluid/structure interaction.

    Energy Technology Data Exchange (ETDEWEB)

    Barone, Matthew Franklin; Kalashnikova, Irina; Segalman, Daniel Joseph; Brake, Matthew Robert

    2009-11-01

    This report describes work performed from October 2007 through September 2009 under the Sandia Laboratory Directed Research and Development project titled 'Reduced Order Modeling of Fluid/Structure Interaction.' This project addresses fundamental aspects of techniques for construction of predictive Reduced Order Models (ROMs). A ROM is defined as a model, derived from a sequence of high-fidelity simulations, that preserves the essential physics and predictive capability of the original simulations but at a much lower computational cost. Techniques are developed for construction of provably stable linear Galerkin projection ROMs for compressible fluid flow, including a method for enforcing boundary conditions that preserves numerical stability. A convergence proof and error estimates are given for this class of ROM, and the method is demonstrated on a series of model problems. A reduced order method, based on the method of quadratic components, for solving the von Karman nonlinear plate equations is developed and tested. This method is applied to the problem of nonlinear limit cycle oscillations encountered when the plate interacts with an adjacent supersonic flow. A stability-preserving method for coupling the linear fluid ROM with the structural dynamics model for the elastic plate is constructed and tested. Methods for constructing efficient ROMs for nonlinear fluid equations are developed and tested on a one-dimensional convection-diffusion-reaction equation. These methods are combined with a symmetrization approach to construct a ROM technique for application to the compressible Navier-Stokes equations.

  6. Simulating Pediatric Ventricular Assist Device Operation Using Fluid Structure Interaction

    Science.gov (United States)

    Long, Chris; Bazilevs, Yuri; Marsden, Alison

    2012-11-01

    Ventricular Assist Devices (VADs) provide mechanical circulatory support to patients in heart failure. They are primarily used to extend life until cardiac transplant, but also show promise as a ``bridge-to-recovery'' device in pediatric patients. Commercially available pediatric pumps are pulsatile displacement pumps, with two distinct chambers for air and blood separated by a thin, flexible membrane. The air chamber pneumatically drives the membrane, which drives blood through the other chamber via displacement. The primary risk factor associated with these devices is stroke or embolism due to thrombogenesis in the blood chamber, occurring in as many as 40% of patients. Our goal is to perform simulations that accurately model the hemodynamics of the device, as well as the non-linear membrane buckling. We apply a finite-element based fluid solver, with an Arbitrary Lagrangian-Eulerian (ALE) framework to account for mesh motion. Isogeometric Analysis with a Kirchhoff-Love shell formulation is used on the membrane, and two distinct fluid subdomains are used for the air and blood chambers. The Fluid Structure Interaction (FSI) problem is solved simultaneously, using a Matrix Free method to model the interactions at the fluid-structure boundary. Methods and results are presented.

  7. Heparan sulfate proteoglycans: structure, protein interactions and cell signaling

    Directory of Open Access Journals (Sweden)

    Juliana L. Dreyfuss

    2009-09-01

    Full Text Available Heparan sulfate proteoglycans are ubiquitously found at the cell surface and extracellular matrix in all the animal species. This review will focus on the structural characteristics of the heparan sulfate proteoglycans related to protein interactions leading to cell signaling. The heparan sulfate chains due to their vast structural diversity are able to bind and interact with a wide variety of proteins, such as growth factors, chemokines, morphogens, extracellular matrix components, enzymes, among others. There is a specificity directing the interactions of heparan sulfates and target proteins, regarding both the fine structure of the polysaccharide chain as well precise protein motifs. Heparan sulfates play a role in cellular signaling either as receptor or co-receptor for different ligands, and the activation of downstream pathways is related to phosphorylation of different cytosolic proteins either directly or involving cytoskeleton interactions leading to gene regulation. The role of the heparan sulfate proteoglycans in cellular signaling and endocytic uptake pathways is also discussed.Proteoglicanos de heparam sulfato são encontrados tanto superfície celular quanto na matriz extracelular em todas as espécies animais. Esta revisão tem enfoque nas características estruturais dos proteoglicanos de heparam sulfato e nas interações destes proteoglicanos com proteínas que levam à sinalização celular. As cadeias de heparam sulfato, devido a sua variedade estrutural, são capazes de se ligar e interagir com ampla gama de proteínas, como fatores de crescimento, quimiocinas, morfógenos, componentes da matriz extracelular, enzimas, entreoutros. Existe uma especificidade estrutural que direciona as interações dos heparam sulfatos e proteínas alvo. Esta especificidade está relacionada com a estrutura da cadeia do polissacarídeo e os motivos conservados da cadeia polipeptídica das proteínas envolvidas nesta interação. Os heparam

  8. Numerically stable fluid–structure interactions between compressible flow and solid structures

    KAUST Repository

    Grétarsson, Jón Tómas

    2011-04-01

    We propose a novel method to implicitly two-way couple Eulerian compressible flow to volumetric Lagrangian solids. The method works for both deformable and rigid solids and for arbitrary equations of state. The method exploits the formulation of [11] which solves compressible fluid in a semi-implicit manner, solving for the advection part explicitly and then correcting the intermediate state to time tn+1 using an implicit pressure, obtained by solving a modified Poisson system. Similar to previous fluid-structure interaction methods, we apply pressure forces to the solid and enforce a velocity boundary condition on the fluid in order to satisfy a no-slip constraint. Unlike previous methods, however, we apply these coupled interactions implicitly by adding the constraint to the pressure system and combining it with any implicit solid forces in order to obtain a strongly coupled, symmetric indefinite system (similar to [17], which only handles incompressible flow). We also show that, under a few reasonable assumptions, this system can be made symmetric positive-definite by following the methodology of [16]. Because our method handles the fluid-structure interactions implicitly, we avoid introducing any new time step restrictions and obtain stable results even for high density-to-mass ratios, where explicit methods struggle or fail. We exactly conserve momentum and kinetic energy (thermal fluid-structure interactions are not considered) at the fluid-structure interface, and hence naturally handle highly non-linear phenomenon such as shocks, contacts and rarefactions. © 2011 Elsevier Inc.

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

    International Nuclear Information System (INIS)

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

    2009-07-01

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

  10. Structure homology and interaction redundancy for discovering virus–host protein interactions

    Science.gov (United States)

    de Chassey, Benoît; Meyniel-Schicklin, Laurène; Aublin-Gex, Anne; Navratil, Vincent; Chantier, Thibaut; André, Patrice; Lotteau, Vincent

    2013-01-01

    Virus–host interactomes are instrumental to understand global perturbations of cellular functions induced by infection and discover new therapies. The construction of such interactomes is, however, technically challenging and time consuming. Here we describe an original method for the prediction of high-confidence interactions between viral and human proteins through a combination of structure and high-quality interactome data. Validation was performed for the NS1 protein of the influenza virus, which led to the identification of new host factors that control viral replication. PMID:24008843

  11. Structure homology and interaction redundancy for discovering virus-host protein interactions.

    Science.gov (United States)

    de Chassey, Benoît; Meyniel-Schicklin, Laurène; Aublin-Gex, Anne; Navratil, Vincent; Chantier, Thibaut; André, Patrice; Lotteau, Vincent

    2013-10-01

    Virus-host interactomes are instrumental to understand global perturbations of cellular functions induced by infection and discover new therapies. The construction of such interactomes is, however, technically challenging and time consuming. Here we describe an original method for the prediction of high-confidence interactions between viral and human proteins through a combination of structure and high-quality interactome data. Validation was performed for the NS1 protein of the influenza virus, which led to the identification of new host factors that control viral replication.

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

    International Nuclear Information System (INIS)

    Yoon, Kyung Ho; Kim, Jae Yong

    2010-02-01

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

  13. Close-packed structure dynamics with finite-range interaction: computational mechanics with individual layer interaction.

    Science.gov (United States)

    Rodriguez-Horta, Edwin; Estevez-Rams, Ernesto; Lora-Serrano, Raimundo; Neder, Reinhard

    2017-09-01

    This is the second contribution in a series of papers dealing with dynamical models in equilibrium theories of polytypism. A Hamiltonian introduced by Ahmad & Khan [Phys. Status Solidi B (2000), 218, 425-430] avoids the unphysical assignment of interaction terms to fictitious entities given by spins in the Hägg coding of the stacking arrangement. In this paper an analysis of polytype generation and disorder in close-packed structures is made for such a Hamiltonian. Results are compared with a previous analysis using the Ising model. Computational mechanics is the framework under which the analysis is performed. The competing effects of disorder and structure, as given by entropy density and excess entropy, respectively, are discussed. It is argued that the Ahmad & Khan model is simpler and predicts a larger set of polytypes than previous treatments.

  14. Assessment of seismic wave effects on soil-structure interaction

    International Nuclear Information System (INIS)

    Bernreuter, D.L.

    1977-01-01

    One of the most common hypotheses made for soil-structure interaction analyses is that the earthquake input motion is identical at all points beneath the structure. Several papers have recently shown that this assumption may be overly conservative and that the effect of wave passage is extremely important. These studies typically employ a relatively simple model, namely, the basemat is represented by a rectangular rigid foundation resting on top of the soil and connected to the soil by a continuously distributed set of soil springs. The seismic input is applied at the base of the soil springs and is assumed to be traveling at a constant wave velocity across the site. It ispossible to improve on the soil/structure model by use of finite element methods; however, little is known about how to model the input seismic energy and typically a simple travelling wave is used. In this paper, the author examines the available data to determine: (i) the appropriate wave velocity to use, and (ii) if the currently availble analytic models are adequate. (Auth.)

  15. Structural basis of ligand interaction with atypical chemokine receptor 3

    Energy Technology Data Exchange (ETDEWEB)

    Gustavsson, Martin; Wang, Liwen; van Gils, Noortje; Stephens, Bryan S.; Zhang, Penglie; Schall, Thomas J.; Yang, Sichun; Abagyan, Ruben; Chance, Mark R.; Kufareva, Irina; Handel, Tracy M.

    2017-01-18

    Chemokines drive cell migration through their interactions with seven-transmembrane (7TM) chemokine receptors on cell surfaces. The atypical chemokine receptor 3 (ACKR3) binds chemokines CXCL11 and CXCL12 and signals exclusively through β-arrestin-mediated pathways, without activating canonical G-protein signalling. This receptor is upregulated in numerous cancers making it a potential drug target. Here we collected over 100 distinct structural probes from radiolytic footprinting, disulfide trapping, and mutagenesis to map the structures of ACKR3:CXCL12 and ACKR3:small-molecule complexes, including dynamic regions that proved unresolvable by X-ray crystallography in homologous receptors. The data are integrated with molecular modelling to produce complete and cohesive experimentally driven models that confirm and expand on the existing knowledge of the architecture of receptor:chemokine and receptor:small-molecule complexes. Additionally, we detected and characterized ligand-induced conformational changes in the transmembrane and intracellular regions of ACKR3 that elucidate fundamental structural elements of agonism in this atypical receptor.

  16. Fluid transport due to nonlinear fluid-structure interaction

    DEFF Research Database (Denmark)

    Jensen, Jakob Søndergaard

    1997-01-01

    This work considers nonlinear fluid-structure interaction for a vibrating pipe containing fluid. Transverse pipe vibrations will force the fluid to move relative to the pipe creating unidirectional fluid flow towards the pipe end. The fluid flow induced affects the damping and the stiffness...... of the pipe. The behavior of the system in response to lateral resonant base excitation is analysed numerically and by the use of a perturbation method (multiple scales). Exciting the pipe in the fundamental mode of vibration seems to be most effective for transferring energy from the shaker to the fluid......, whereas higher modes of vibration can be used to transport fluid with pipe vibrations of smaller amplitude. The effect of the nonlinear geometrical terms is analysed and these terms are shown to affect the response for higher modes of vibration. Experimental investigations show good agreement...

  17. Fluid structure interaction in electrohydraulic servovalve: a finite element approach

    Science.gov (United States)

    Hiremath, Somashekhar S.; Singaperumal, M.

    2010-01-01

    Electrohydraulic servovalves (EHSV) promise unique application opportunities and high performance, unmatched by other drive technologies. Typical applications include aerospace, robotic manipulators, motion simulators, injection molding, CNC machines and material testing machines. EHSV available are either a flapper/nozzle type or a jet pipe type. In the present paper an attempt has been made to study the dynamics of jet pipe EHSV with built-in mechanical feedback using Finite Element Method (FEM). In jet pipe EHSV, the dynamics of spool greatly depends on pressure recovery and hence the fluid flow at spool ends. The effect of pressure recovery on spool dynamics is studied using FEM by creating the fluid-structure-interaction. The mechanical parts were created using general purpose finite elements like shell, beam, and solid elements while fluid cavities were created using hydrostatic fluid elements. The analysis was carried out using the commercially available FE code ABAQUS. The jet pipe and spool dynamics are presented in the paper.

  18. Structure Formation Mechanisms during Solid Ti with Molten Al Interaction

    International Nuclear Information System (INIS)

    Gurevich, L; Pronichev, D; Trunov, M

    2016-01-01

    The study discuses advantages and disadvantages of previously proposed mechanisms of the formation of structure between solid Ti and molten Al and presents a new mechanism based on the reviewed and experimental data. The previously proposed mechanisms were classified into three groups: mechanisms of precipitation, mechanisms of destruction and mechanisms of chemical interaction between intermetallics and melt. The reviewed mechanisms did not explain the formation of heterogeneous interlayer with globular aluminide particles and thin layers of pure Al, while the present study reveals variation in the solid Ti/molten Al reaction kinetics during various phases of laminated metal-intermetallic composite formation. The proposed mechanism considers formed during composite fabrication thin oxide interlayers between Ti and Al evolution and its impact on the intermetallic compound formation and explains the initial slow rate of intermetallic interlayer formation and its subsequent acceleration when the oxide foils are ruptured. (paper)

  19. Non-Newtonian fluid structure interaction in flexible biomimetic microchannels

    Science.gov (United States)

    Kiran, M.; Dasgupta, Sunando; Chakraborty, Suman

    2017-11-01

    To investigate the complex fluid structure interactions in a physiologically relevant microchannel with deformable wall and non-Newtonian fluid that flows within it, we fabricated cylindrical microchannels of various softness out of PDMS. Experiments to measure the transient pressure drop across the channel were carried out with high sampling frequencies to capture the intricate flow physics. In particular, we showed that the waveforms varies greatly for each of the non-Newtonian and Newtonian cases for both non-deformable and deformable microchannels in terms of the peak amplitude, r.m.s amplitude and the crest factor. In addition, we carried out frequency sweep experiments to evaluate the frequency response of the system. We believe that these results will aid in the design of polymer based microfluidic phantoms for arterial FSI studies, and in particular for studying blood analog fluids in cylindrical microchannels as well as developing frequency specific Lab-on-chip systems for medical diagnostics.

  20. An overset grid approach to linear wave-structure interaction

    DEFF Research Database (Denmark)

    Read, Robert; Bingham, Harry B.

    2012-01-01

    . This software implementation has been validated by performing time-domain simulations to evaluate the dynamic forces applied to a half-submerged cylinder and a rectangular barge in response to a prescribed motion. A Gaussian displacement is used to introduce a range of wave frequencies, thereby allowing......A finite-difference based approach to wave-structure interaction is reported that employs the overset approach to grid generation. A two-dimensional code that utilizes the Overture C++ library has been developed to solve the linear radiation problem for a floating body of arbitrary form...... the measurement of the body response over the frequency range of interest. The radiation addedmass and damping coefficients of both bodies have been evaluated and compared to exact analytical solutions. The numerical and analytical results show good agreement when the modes of excitation and response are the same...

  1. Primate cathelicidin orthologues display different structures and membrane interactions.

    Science.gov (United States)

    Morgera, Francesca; Vaccari, Lisa; Antcheva, Nikolinka; Scaini, Denis; Pacor, Sabrina; Tossi, Alessandro

    2009-02-01

    The human cathelicidin LL-37 displays both direct antibacterial activities and the capacity to modulate host-cell activities. These depend on structural characteristics that are subject to positive selection for variation, as observed in a previous analysis of the CAMP gene (encoding LL-37) in primates. The altered balance between cationic and anionic residues in different primate orthologues affects intramolecular salt-bridging and influences the stability of the helical conformation and tendency to aggregate in solution of the peptide. In the present study, we have analysed the effects of these structural variations on membrane interactions for human LL-37, rhesus RL-37 and orang-utan LL-37, using several complementary biophysical and biochemical methods. CD and ATR (attenuated total reflection)-FTIR (Fourier-transform IR) spectroscopy on model membranes indicate that RL-37, which is monomeric and unstructured in bulk solution [F-form (free form)], and human LL-37, which is partly structured and probably aggregated [A-form (aggregated form)], bind biological membranes in different manners. RL-37 may insert more deeply into the lipid bilayer than LL-37, which remains aggregated. AFM (atomic force microscopy) performed on the same supported bilayer as used for ATR-FTIR measurements suggests a carpet-like mode of permeabilization for RL37 and formation of more defined worm-holes for LL-37. Comparison of data from the biological activity on bacterial cells with permeabilization of model membranes indicates that the structure/aggregation state also affects the trajectory of the peptides from bulk solution through the outer cell-wall layers to the membrane. The results of the present study suggest that F-form cathelicidin orthologues may have evolved to have primarily a direct antimicrobial defensive capacity, whereas the A-forms have somewhat sacrificed this to gain host-cell modulating functions.

  2. Inferring the interaction structure of resistance to antimicrobials.

    Science.gov (United States)

    Zawack, Kelson; Love, Will; Lanzas, Cristina; Booth, James G; Gröhn, Yrjö T

    2018-04-01

    The growth of antimicrobial resistance presents a significant threat to human and animal health. Of particular concern is multi-drug resistance, as this increases the chances an infection will be untreatable by any antibiotic. In order to understand multi-drug resistance, it is essential to understand the association between drug resistances. Pairwise associations characterize the connectivity between resistances and are useful in making decisions about courses of treatment, or the design of drug cocktails. Higher-order associations, interactions, which tie together groups of drugs can suggest commonalities in resistance mechanism and lead to their identification. To capture interactions, we apply log-linear models of contingency tables to analyze publically available data on the resistance of Escheresia coli isolated from chicken and turkey meat by the National Antimicrobial Resistance Monitoring System. Standard large sample and conditional exact testing approaches for assessing significance of parameters in these models breakdown due to structured patterns inherent to antimicrobial resistance. To address this, we adopt a Bayesian approach which reveals that E. coli resistance associations can be broken into two subnetworks. The first subnetwork is characterized by a hierarchy of β-lactams which is consistent across the chicken and turkey datasets. Tier one in this hierarchy is a near equivalency between amoxicillin-clavulanic acid, ceftriaxone and cefoxitin. Susceptibility to tier one then implies susceptibility to ceftiofur. The second subnetwork is characterized by more complex interactions between a variety of drug classes that vary between the chicken and turkey datasets. Copyright © 2018 Elsevier B.V. All rights reserved.

  3. Competitive intransitivity, population interaction structure, and strategy coexistence.

    Science.gov (United States)

    Laird, Robert A; Schamp, Brandon S

    2015-01-21

    Intransitive competition occurs when competing strategies cannot be listed in a hierarchy, but rather form loops-as in the game rock-paper-scissors. Due to its cyclic competitive replacement, competitive intransitivity promotes strategy coexistence, both in rock-paper-scissors and in higher-richness communities. Previous work has shown that this intransitivity-mediated coexistence is strongly influenced by spatially explicit interactions, compared to when populations are well mixed. Here, we extend and broaden this line of research and examine the impact on coexistence of intransitive competition taking place on a continuum of small-world networks linking spatial lattices and regular random graphs. We use simulations to show that the positive effect of competitive intransitivity on strategy coexistence holds when competition occurs on networks toward the spatial end of the continuum. However, in networks that are sufficiently disordered, increasingly violent fluctuations in strategy frequencies can lead to extinctions and the prevalence of monocultures. We further show that the degree of disorder that leads to the transition between these two regimes is positively dependent on population size; indeed for very large populations, intransitivity-mediated strategy coexistence may even be possible in regular graphs with completely random connections. Our results emphasize the importance of interaction structure in determining strategy dynamics and diversity. Copyright © 2014 Elsevier Ltd. All rights reserved.

  4. Structure of Microgels with Debye–Hückel Interactions

    Directory of Open Access Journals (Sweden)

    Hideki Kobayashi

    2014-05-01

    Full Text Available The structural properties of model microgel particles are investigated by molecular dynamics simulations applying a coarse-grained model. A microgel is comprised of a regular network of polymers internally connected by tetra-functional cross-links and with dangling ends at its surface. The self-avoiding polymers are modeled as bead-spring linear chains. Electrostatic interactions are taken into account by the Debye–Hückel potential. The microgels exhibit a quite uniform density under bad solvent conditions with a rather sharp surface. With increasing Debye length, structural inhomogeneities appear, their surface becomes fuzzy and, at very large Debye lengths, well defined again. Similarly, the polymer conformations change from a self-avoiding walk to a rod-like behavior. Thereby, the average polymer radius of gyration follows a scaling curve in terms of polymer length and persistence length, with an asymptotic rod-like behavior for swollen microgels and self-avoiding walk behavior for weakly swollen gel particles.

  5. Fluid Structure Interaction Simulations of Pediatric Ventricular Assist Device Operation

    Science.gov (United States)

    Long, Chris; Marsden, Alison; Bazilevs, Yuri

    2011-11-01

    Pediatric ventricular assist devices (PVADs) are used for mechanical circulatory support in children with failing hearts. They can be used to allow the heart to heal naturally or to extend the life of the patient until transplant. A PVAD has two chambers, blood and air, separated by a flexible membrane. The air chamber is pressurized, which drives the membrane and pumps the blood. The primary risk associated with these devices is stroke or embolism from thrombogenesis. Simulation of these devices is difficult due to a complex coupling of two fluid domains and a thin membrane, requiring fluid-structure interaction modeling. The goal of this work is to accurately simulate the hemodynamics of a PVAD. We perform FSI simulations using an Arbitrary Lagrangian-Eulerian (ALE) finite element framework to account for large motions of the membrane and the fluid domains. The air, blood, and membrane are meshed as distinct subdomains, and a method for non-matched discretizations at the fluid-structure interface is presented. The use of isogeometric analysis to model the membrane mechanics is also discussed, and the results of simulations are presented.

  6. Investigation of structural responses of breakwaters for green water based on fluid-structure interaction analysis

    Directory of Open Access Journals (Sweden)

    Chi-Seung Lee

    2012-06-01

    Full Text Available In the present study, the structural response of breakwaters installed on container carriers against green water impact loads was numerically investigated on the basis of the fluid-structure interaction analysis. A series of numerical studies is carried out to induce breakwater collapse under such conditions, whereby a widely accepted fluid-structure interaction analysis technique is adopted to realistically consider the phenomenon of green water impact loads. In addition, the structural behaviour of these breakwaters under green water impact loads is investigated simultaneously throughout the transient analysis. A verification study of the numerical results is performed using data from actual collapse incidents of breakwaters on container carriers. On the basis of the results of a series of numerical analyses, the pressure distribution of green water was accurately predicted with respect to wave mass and velocity. It is expected that the proposed analytical methodology and predicted pressure distribution could be used as a practical guideline for the design of breakwaters on container carriers.

  7. Thermal fatigue. Fluid-structure interaction at thermal mixing events

    Energy Technology Data Exchange (ETDEWEB)

    Schuler, X.; Herter, K.H.; Moogk, S. [Stuttgart Univ. (Germany). MPA; Laurien, E.; Kloeren, D.; Kulenovic, R.; Kuschewski, M. [Stuttgart Univ. (Germany). Inst. of Nuclear Technology and Energy Systems

    2012-07-01

    In the framework of the network research project ''Thermal Fatigue - Basics of the system-, outflow- and material-characteristics of piping under thermal fatigue'' funded by the German Federal Ministry of Education and Research (BMBF) fundamental numerical and experimental investigations on the material behaviour under transient thermal-mechanical stress conditions (high cycle fatigue - HCF) are carried out. The project's background and its network of scientific working groups with their individual working tasks are briefly introduced. The main focus is especially on the joint research tasks within the sub-projects of MPA and IKE which are dealing with thermal mixing of flows in a T-junction configuration and the fluidstructure- interactions (FSI). Therefore, experiments were performed with the newly established FSI test facility at MPA which enables single-phase flow experiments of water in typical power plant piping diameters (DN40 and DN80) at high pressure (maximum 75 bar) and temperatures (maximum 280 C). The experimental results serve as validation data base for numerical modelling of thermal flow mixing by means of thermo-fluid dynamics simulations applying CFD techniques and carried out by IKE as well as for modelling of thermal and mechanical loads of the piping structure by structural mechanics simulations with FEM methods which are executed by MPA. The FSI test facility will be described inclusively the applied measurement techniques, e. g. in particular the novel near-wall LED-induced Fluorescence method for non-intrusive flow temperature measurements. First experimental data and numerical results from CFD and FEM simulations of the thermal mixing of flows in the T-junction are presented.

  8. Nonlinear dynamic soil-structure interaction in earthquake engineering

    International Nuclear Information System (INIS)

    Nieto-Ferro, Alex

    2013-01-01

    The present work addresses a computational methodology to solve dynamic problems coupling time and Laplace domain discretizations within a domain decomposition approach. In particular, the proposed methodology aims at meeting the industrial need of performing more accurate seismic risk assessments by accounting for three-dimensional dynamic soil-structure interaction (DSSI) in nonlinear analysis. Two subdomains are considered in this problem. On the one hand, the linear and unbounded domain of soil which is modelled by an impedance operator computed in the Laplace domain using a Boundary Element (BE) method; and, on the other hand, the superstructure which refers not only to the structure and its foundations but also to a region of soil that possibly exhibits nonlinear behaviour. The latter sub-domain is formulated in the time domain and discretized using a Finite Element (FE) method. In this framework, the DSSI forces are expressed as a time convolution integral whose kernel is the inverse Laplace transform of the soil impedance matrix. In order to evaluate this convolution in the time domain by means of the soil impedance matrix (available in the Laplace domain), a Convolution Quadrature-based approach called the Hybrid Laplace-Time domain Approach (HLTA), is thus introduced. Its numerical stability when coupled to Newmark time integration schemes is subsequently investigated through several numerical examples of DSSI applications in linear and nonlinear analyses. The HLTA is finally tested on a more complex numerical model, closer to that of an industrial seismic application, and good results are obtained when compared to the reference solutions. (author)

  9. Soil-structure interaction on inclined soil layers

    International Nuclear Information System (INIS)

    Massa, G.; De Stefano, R.

    1983-01-01

    The case history presented deals with a Category I building having two-thirds of its base founded on a wedge of hard material. This wedge is underlain by an inclined layer of softer material, which also directly supports the remaining one-third of the foundation. The inclined layer is underlain by a third material, possessing large stiffness and extending to great depth. This case is analyzed with the methodology described below: - Determination of the static soil compliances by discretizing the foundation area into a number of strips and taking the soil profile as horizontally layered under each strip. Lumped parameter soil compliances for the whole foundation are obtained by weighting the contributions to stiffness in proportion to the area of each strip. - Definition of the degree of coupling between modes. The soil compliances defined in the previous step include coupling between the vertical and rocking modes and the horizontal and torsional modes through the positioning of the corresponding soil springs. The degree of coupling is checked through a static finite element analysis. - Frequency correction of the static soil compliances taking into account the inhomogeneity of the foundation conditions. The correction is based on obtaining dynamic stiffness coefficients for extreme configurations of the soil profile. - Assessment of the sliding potential of the structure under earthquake loading, considering eccentricities of the dynamic forces and non-uniform friction resistance over the foundation area, accounting for the frictional capacity of the different bearing materials. It is concluded that the simplified technique can provide accurate soil compliances, coupling and frequency corrections for soil-structure interaction on sloping layers, and an appropriate assessment of the sliding potential. (orig./HP)

  10. Numerical simulation of the fluid-structure interaction between air blast waves and soil structure

    Science.gov (United States)

    Umar, S.; Risby, M. S.; Albert, A. Luthfi; Norazman, M.; Ariffin, I.; Alias, Y. Muhamad

    2014-03-01

    Normally, an explosion threat on free field especially from high explosives is very dangerous due to the ground shocks generated that have high impulsive load. Nowadays, explosion threats do not only occur in the battlefield, but also in industries and urban areas. In industries such as oil and gas, explosion threats may occur on logistic transportation, maintenance, production, and distribution pipeline that are located underground to supply crude oil. Therefore, the appropriate blast resistances are a priority requirement that can be obtained through an assessment on the structural response, material strength and impact pattern of material due to ground shock. A highly impulsive load from ground shocks is a dynamic load due to its loading time which is faster than ground response time. Of late, almost all blast studies consider and analyze the ground shock in the fluid-structure interaction (FSI) because of its influence on the propagation and interaction of ground shock. Furthermore, analysis in the FSI integrates action of ground shock and reaction of ground on calculations of velocity, pressure and force. Therefore, this integration of the FSI has the capability to deliver the ground shock analysis on simulation to be closer to experimental investigation results. In this study, the FSI was implemented on AUTODYN computer code by using Euler-Godunov and the arbitrary Lagrangian-Eulerian (ALE). Euler-Godunov has the capability to deliver a structural computation on a 3D analysis, while ALE delivers an arbitrary calculation that is appropriate for a FSI analysis. In addition, ALE scheme delivers fine approach on little deformation analysis with an arbitrary motion, while the Euler-Godunov scheme delivers fine approach on a large deformation analysis. An integrated scheme based on Euler-Godunov and the arbitrary Lagrangian-Eulerian allows us to analyze the blast propagation waves and structural interaction simultaneously.

  11. 3did: a catalog of domain-based interactions of known three-dimensional structure.

    Science.gov (United States)

    Mosca, Roberto; Céol, Arnaud; Stein, Amelie; Olivella, Roger; Aloy, Patrick

    2014-01-01

    The database of 3D interacting domains (3did, available online for browsing and bulk download at http://3did.irbbarcelona.org) is a catalog of protein-protein interactions for which a high-resolution 3D structure is known. 3did collects and classifies all structural templates of domain-domain interactions in the Protein Data Bank, providing molecular details for such interactions. The current version also includes a pipeline for the discovery and annotation of novel domain-motif interactions. For every interaction, 3did identifies and groups different binding modes by clustering similar interfaces into 'interaction topologies'. By maintaining a constantly updated collection of domain-based structural interaction templates, 3did is a reference source of information for the structural characterization of protein interaction networks. 3did is updated every 6 months.

  12. Solving RNA's structural secrets: interaction with antibodies and crystal structure of a nuclease resistant RNA

    International Nuclear Information System (INIS)

    Wallace, S.T.

    1998-10-01

    This Ph.D. thesis concerns the structural characterization of RNA. The work is split into two sections: 1) in vitro selection and characterization of RNAs which bind antibiotics and 2) crystal structure of a nuclease resistant RNA molecule used in antisense applications. Understanding antibiotic-RNA interactions is crucial in aiding rational drug design. We were interested in studying antibiotic interactions with RNAs small enough to characterize at the molecular and possibly at the atomic level. In order to do so, we previously performed in vitro selection to find small RNAs which bind to the peptide antibiotic viomycin and the aminoglycoside antibiotic streptomycin. The characterization of the viomycin-binding RNAs revealed the necessity of a pseudoknot-structure in order to interact with the antibiotic. The RNAs which were selected to interact with streptomycin require the presence of magnesium to bind the antibiotic. One of the RNAs, upon interacting with streptomycin undergoes a significant conformational change spanning the entire RNA sequence needed to bind the antibiotic. In a quest to design oligodeoxynucleotides (ODNs) which are able to specifically bid and inactivate the mRNA of a gene, it is necessary to fulfill two criteria: 1) increase binding affinity between the ODN and the target RNA and 2) increase the ODN's resistance to nuclease degradation. An ODN with an aminopropyl modification at the 2' position of its ribose has emerged as the most successful candidate at fulfilling both criteria. It is the most nuclease resistant modification known to date. We were interested in explaining how this modification is able to circumvent degradation by nucleases. A dodecamer containing a single 2'-O-aminopropyl modified nucleotide was crystallized and the structure was solved to a resolution of 1.6 A. In an attempt to explain the nuclease resistance, the crystal coordinates were modeled into the active exonuclease site of DNA polymerase I. We propose the

  13. Bicuspid aortic valve hemodynamics: a fluid-structure interaction study

    Science.gov (United States)

    Chandra, Santanu; Seaman, Clara; Sucosky, Philippe

    2011-11-01

    The bicuspid aortic valve (BAV) is a congenital defect in which the aortic valve forms with two leaflets instead of three. While calcific aortic valve disease (CAVD) also develops in the normal tricuspid aortic valve (TAV), its progression in the BAV is more rapid. Although studies have suggested a mechano-potential root for the disease, the native BAV hemodynamics remains largely unknown. This study aimed at characterizing BAV hemodynamics and quantifying the degree of wall-shear stress (WSS) abnormality on BAV leaflets. Fluid-structure interaction models validated with particle-image velocimetry were designed to predict the flow and leaflet dynamics in idealized TAV and BAV anatomies. Valvular function was quantified in terms of the effective orifice area. The regional leaflet WSS was characterized in terms of oscillatory shear index, temporal shear magnitude and temporal shear gradient. The predictions indicate the intrinsic degree of stenosis of the BAV anatomy, reveal drastic differences in shear stress magnitude and pulsatility on BAV and TAV leaflets and confirm the side- and site-specificity of the leaflet WSS. Given the ability of abnormal fluid shear stress to trigger valvular inflammation, these results support the existence of a mechano-etiology of CAVD in the BAV.

  14. Assessing Spurious Interaction Effects in Structural Equation Modeling

    Science.gov (United States)

    Harring, Jeffrey R.; Weiss, Brandi A.; Li, Ming

    2015-01-01

    Several studies have stressed the importance of simultaneously estimating interaction and quadratic effects in multiple regression analyses, even if theory only suggests an interaction effect should be present. Specifically, past studies suggested that failing to simultaneously include quadratic effects when testing for interaction effects could…

  15. Studies on Pounding Response Considering Structure-Soil-Structure Interaction under Seismic Loads

    Directory of Open Access Journals (Sweden)

    Peizhen Li

    2017-12-01

    Full Text Available Pounding phenomena considering structure–soil–structure interaction (SSSI under seismic loads are investigated in this paper. Based on a practical engineering project, this work presents a three-dimensional finite element numerical simulation method using ANSYS software. According to Chinese design code, the models of adjacent shear wall structures on Shanghai soft soil with the rigid foundation, box foundation and pile foundation are built respectively. In the simulation, the Davidenkov model of the soil skeleton curve is assumed for soil behavior, and the contact elements with Kelvin model are adopted to simulate pounding phenomena between adjacent structures. Finally, the dynamic responses of adjacent structures considering the pounding and SSSI effects are analyzed. The results show that pounding phenomena may occur, indicating that the seismic separation requirement for adjacent buildings of Chinese design code may not be enough to avoid pounding effect. Pounding and SSSI effects worsen the adjacent buildings’ conditions because their acceleration and shear responses are amplified after pounding considering SSSI. These results are significant for studying the effect of pounding and SSSI phenomena on seismic responses of structures and national sustainable development, especially in earthquake prevention and disaster reduction.

  16. Jatropha Developments in Mozambique: Analysis of Structural Conditions Influencing Niche-Regime Interactions

    NARCIS (Netherlands)

    Slingerland, M.A.; Schut, M.

    2014-01-01

    This article investigates the transition dynamics related to Jatropha developments in Mozambique. The analysis focuses on how structural conditions (infrastructure, institutions, interaction and collaboration and capabilities and resources) enable or constrain interactions between niche-level

  17. Stress, strain, and structural dynamics an interactive handbook of formulas, solutions, and Matlab toolboxes

    CERN Document Server

    Yang, Bingen

    2005-01-01

    Stress, Strain, and Structural Dynamics is a comprehensive and definitive reference to statics and dynamics of solids and structures, including mechanics of materials, structural mechanics, elasticity, rigid-body dynamics, vibrations, structural dynamics, and structural controls. This text integrates the development of fundamental theories, formulas and mathematical models with user-friendly interactive computer programs, written in the powerful and popular MATLAB. This unique merger of technical referencing and interactive computing allows instant solution of a variety of engineering problems

  18. Soil-structure interaction effects on the reliability evaluation of reactor containments

    International Nuclear Information System (INIS)

    Pires, J.; Hwang, H.; Reich, M.

    1986-01-01

    The probability-based method for the seismic reliability assessment of nuclear structures, which has been developed at Brookhaven National Laboratory (BNL), is extended to include the effects of soil-structure interaction. A reinforced concrete containment building is analyzed in order to examine soil-structure interaction effects on: (1) structural fragilities; (2) floor response spectra statistics; and (3) correlation coefficients for total acceleration responses at specified structural locations

  19. Simplified analysis of frame structures with viscoelastic dampers considering the effect of soil-structure interaction

    Science.gov (United States)

    Zhao, Xuefei; Wang, Shuguang; Du, Dongsheng; Liu, Weiqing

    2017-01-01

    In this study, simplified numerical models are developed to analyze the soil-structure interaction (SSI) effect on frame structures equipped with viscoelastic dampers (VEDs) based on pile group foundation. First, a single degree-of-freedom (SDOF) oscillator is successfully utilized to replace the SDOF energy dissipated structure considering the SSI effect. The equivalent period and damping ratio of the system are obtained through analogical analysis using the frequency transfer function with adoption of the modal strain energy (MSE) technique. A parametric analysis is carried out to study the SSI effect on the performance of VEDs. Then the equilibrium equations of the multi degree-of-freedom (MDOF) structure with VEDs considering SSI effect are established in the frequency domain. Based on the assumption that the superstructure of the coupled system possesses the classical normal mode, the MDOF superstructure is decoupled to a set of individual SDOF systems resting on a rigid foundation with adoption of the MSE technique through formula derivation. Numerical results demonstrate that the proposed methods have the advantage of reducing computational cost, however, retaining the satisfactory accuracy. The numerical method proposed herein can provide a fast evaluation of the efficiency of VEDs considering the SSI effect.

  20. Earthquake analysis of structures including structure-soil interaction by a substructure method

    International Nuclear Information System (INIS)

    Chopra, A.K.; Guttierrez, J.A.

    1977-01-01

    A general substructure method for analysis of response of nuclear power plant structures to earthquake ground motion, including the effects of structure-soil interaction, is summarized. The method is applicable to complex structures idealized as finite element systems and the soil region treated as either a continuum, for example as a viscoelastic halfspace, or idealized as a finite element system. The halfspace idealization permits reliable analysis for sites where essentially similar soils extend to large depths and there is no rigid boundary such as soil-rock interface. For sites where layers of soft soil are underlain by rock at shallow depth, finite element idealization of the soil region is appropriate; in this case, the direct and substructure methods would lead to equivalent results but the latter provides the better alternative. Treating the free field motion directly as the earthquake input in the substructure method eliminates the deconvolution calculations and the related assumption -regarding type and direction of earthquake waves- required in the direct method. The substructure method is computationally efficient because the two substructures-the structure and the soil region- are analyzed separately; and, more important, it permits taking advantage of the important feature that response to earthquake ground motion is essentially contained in the lower few natural modes of vibration of the structure on fixed base. For sites where essentially similar soils extend to large depths and there is no obvious rigid boundary such as a soil-rock interface, numerical results for earthquake response of a nuclear reactor structure are presented to demonstrate that the commonly used finite element method may lead to unacceptable errors; but the substructure method leads to reliable results

  1. Fluid-structure interaction in abdominal aortic aneurysms: Structural and geometrical considerations

    Science.gov (United States)

    Mesri, Yaser; Niazmand, Hamid; Deyranlou, Amin; Sadeghi, Mahmood Reza

    2015-08-01

    Rupture of the abdominal aortic aneurysm (AAA) is the result of the relatively complex interaction of blood hemodynamics and material behavior of arterial walls. In the present study, the cumulative effects of physiological parameters such as the directional growth, arterial wall properties (isotropy and anisotropy), iliac bifurcation and arterial wall thickness on prediction of wall stress in fully coupled fluid-structure interaction (FSI) analysis of five idealized AAA models have been investigated. In particular, the numerical model considers the heterogeneity of arterial wall and the iliac bifurcation, which allows the study of the geometric asymmetry due to the growth of the aneurysm into different directions. Results demonstrate that the blood pulsatile nature is responsible for emerging a time-dependent recirculation zone inside the aneurysm, which directly affects the stress distribution in aneurismal wall. Therefore, aneurysm deviation from the arterial axis, especially, in the lateral direction increases the wall stress in a relatively nonlinear fashion. Among the models analyzed in this investigation, the anisotropic material model that considers the wall thickness variations, greatly affects the wall stress values, while the stress distributions are less affected as compared to the uniform wall thickness models. In this regard, it is confirmed that wall stress predictions are more influenced by the appropriate structural model than the geometrical considerations such as the level of asymmetry and its curvature, growth direction and its extent.

  2. Water-mediated ionic interactions in protein structures

    Indian Academy of Sciences (India)

    is defined as when one or more water molecules mediate an interaction between a pair of charged residues. For example, disruption of surface salt bridges (a class of ionic interactions) by water molecules in proteins permits protein–DNA inter- actions (Grove 2003) because it creates the cationic surface complementary to ...

  3. Structural interaction of novel dendrimer and subunits with water ...

    African Journals Online (AJOL)

    ... decrease with much disruption in molecular interaction similar to surfactant behavior. The lowest ΔGE values were with the 2,4,6-trichlorotriazine (TCT) due to comparatively higher interactions of the chloride ion. KEY WORDS: Excess viscosity, Trichlorotriazine, Hydrophilic, Hydrophobic, Hydrodynamic. Bull. Chem. Soc.

  4. Learning about Intermolecular Interactions from the Cambridge Structural Database

    Science.gov (United States)

    Battle, Gary M.; Allen, Frank H.

    2012-01-01

    A clear understanding and appreciation of noncovalent interactions, especially hydrogen bonding, are vitally important to students of chemistry and the life sciences, including biochemistry, molecular biology, pharmacology, and medicine. The opportunities afforded by the IsoStar knowledge base of intermolecular interactions to enhance the…

  5. An Interactive Exercise To Learn Eukaryotic Cell Structure and Organelle Function.

    Science.gov (United States)

    Klionsky, Daniel J.; Tomashek, John J.

    1999-01-01

    Describes a cooperative, interactive problem-solving exercise for studying eukaryotic cell structure and function. Highlights the dynamic aspects of movement through the cell. Contains 15 references. (WRM)

  6. Shaking table test and analysis of embedded structure soil interaction considering input motion

    International Nuclear Information System (INIS)

    Matsushima, Y.; Mizuno, H.; Machida, N.; Sato, K.; Okano, H.

    1987-01-01

    The dynamic interaction between soil and structure is decomposed into inertial interaction (II) and kinematic interaction (KI). II denotes the interaction due to inertial force applied on foundations. KI denotes the interaction of massless foundations subjected to seismic waves. Forced vibration tests by exciters are not enough to evaluate the complete soil-structure interaction due to the lack of KI. To clarify the effects of KI on the seismic response of structure, the authors intended to carry out shaking table tests of the interaction between the soil and the embedded structure. A method to decompose II and KI is introduced which reveals the construction of embedment effects. Finally, the authors discuss the validity of three kinds of simulation analyses, that is, two-dimensional, approximate three-dimensional and rigorous three-dimensional analyses, comparing with the test results

  7. Seismic response analysis of a nuclear reactor structure considering nonlinear soil-structure interaction

    Energy Technology Data Exchange (ETDEWEB)

    Bhaumik, Lopamudra, E-mail: lbhaumi2@illinois.edu [University of Illinois at Urbana-Champaign (United States); Raychowdhury, Prishati, E-mail: prishati@iitk.ac.in [Indian Institute of Technology Kanpur (India)

    2013-12-15

    Highlights: • Seismic response analysis of an internal shearwall of a reactor is done. • Incremental dynamic analysis is performed with 30 recorded ground motions. • Equivalent viscous damping increases up to twice when nonlinear SSI is considered. • Roof drift demand increases up to 25% upon consideration of foundation nonlinearity. • Base shear, base moment and ductility reduce up to 62%, 40%, and 35%, respectively. - Abstract: This study focuses on the seismic response analysis of an internal shearwall of a typical Indian reactor resting on a medium dense sandy silty soil, incorporating the nonlinear behavior of the soil-foundation interface. The modeling is done in an open-source finite element framework, OpenSees, where the soil-structure interaction (SSI) is modeled using a Beam-on-Nonlinear-Winkler-Foundation (BNWF) approach. Static pushover analysis and cyclic analysis are performed followed by an incremental dynamic analysis (IDA) with 30 recorded ground motions. For performing IDA, the spectral acceleration of each motion corresponding to the fundamental period, S{sub a}(T{sub 1})is incremented from 0.1 g to 1.0 g with an increment step of 0.1 g. It is observed from the cyclic analysis that the equivalent viscous damping of the system increases upto twice upon incorporation of inelastic SSI. The IDA results demonstrate that the average peak base shear, base moment and displacement ductility demand reduces as much as 62%, 40%, and 35%, respectively, whereas the roof drift demand increases up to 25% upon consideration of foundation nonlinearity for the highest intensity motion. These observations indicate the need of critical consideration of nonlinear soil-structure interaction as any deficient modeling of the same may lead to an inaccurate estimation of the seismic demands of the structure.

  8. Fluid-structure interaction and its effect on the performance of composite structures under air-blast loading

    Directory of Open Access Journals (Sweden)

    E Wang

    2016-09-01

    Full Text Available Three material systems: E-glass Vinyl-Ester (EVE composites, sandwich composites with EVE facesheet and monolithic foam core (2 different core thicknesses, and monolithic aluminum alloy plates, were subjected to shock wave loading to study their blast response and fluid-structure interaction behaviors. High-speed photography systems were utilized to obtain the real-time side-view and back face deformation images. A 3-D Digital Image Correlation (DIC technique was used to analyze the real-time back face displacement fields and subsequently obtain the characteristic fluid-structure interaction time. The reflected pressure profiles and the deflection of the back face center point reveal that the areal density plays an important role in the fluid-structure interaction. The predictions from Taylor's model (classical solution, does not consider the compressibility and model by Wang et al. (considers the compressibility were compared with the experimental results. These results indicated that the model by Wang et al. can predict the experimental results accurately, especially during the characteristic fluid-structure interaction time. Further study revealed that the fluid-structure interaction between the fluid and the sandwich composites cannot be simplified as the fluid-structure interaction between the fluid and the facesheet. Also, it was observed that the core thickness affects the fluid-structure interaction behavior of sandwich composites.

  9. Modelling microbial interactions and food structure in predictive microbiology

    NARCIS (Netherlands)

    Malakar, P.K.

    2002-01-01

    Keywords: modelling, dynamic models, microbial interactions, diffusion, microgradients, colony growth, predictive microbiology.

    Growth response of microorganisms in foods is a complex process. Innovations in food production and preservation techniques have resulted in adoption of

  10. Water-mediated ionic interactions in protein structures

    Indian Academy of Sciences (India)

    ISHWARYA( R SARANI( M KIRTI VAISHNAVI and K SEKAR. Supplementary table 1. List of complete water-mediated ionic interactions formed by different combinations of charged atoms and their corresponding occurrences. S. No. Type.

  11. Earthquake analysis of structures including structure-soil interaction by a substructure method

    International Nuclear Information System (INIS)

    Chopra, A.K.; Guttierrez, J.A.

    1977-01-01

    A general substructure method for analysis of response of nuclear power plant structures to earthquake ground motion, including the effects of structure-soil interaction, is summarized. The method is applicable to complex structures idealized as finite element systems and the soil region treated as either a continuum, for example as a viscoelastic halfspace, or idealized as a finite element system. The halfspace idealization permits reliable analysis for sites where essentially similar soils extend to large depths and there is no rigid boundary such as soil-rock interface. For sites where layers of soft soil are underlain by rock at shallow depth, finite element idealization of the soil region is appropriate; in this case, the direct and substructure methods would lead to equivalent results but the latter provides the better alternative. Treating the free field motion directly as the earthquake input in the substructure eliminates the deconvolution calculations and the related assumption-regarding type and direction of earthquake waves-required in the direct method. (Auth.)

  12. Dynamic analysis of an industrial structure with fluid-structure interaction

    International Nuclear Information System (INIS)

    Sigrist, J.F.

    2006-01-01

    The present paper deals with the dynamic analysis of a nuclear reactor subjected to a shock loading with fluid-structure interaction modeling. The general framework of the study is that of linear vibrations, which are investigated for coupled fluid-structure problems. From a methodological point of view, energy deformation and modal mass calculation are exposed for elasto-acoustic systems. From an industrial point of view, the influence of elasto-acoustic coupling effects are highlighted for the studied structure. The dynamic analysis of the coupled system is carried out with various procedures (static, spectral and temporal methods), which are exposed and compared. As a general result, the spectral method is proved to be the most effective for the industrial problem. From the numerical point of view, the discretization procedure is based on a finite element method for the coupled problem, using a displacement and pressure-displacement potential coupled formulation with axi-symmetric representation of the problem unknowns. A finite element code is developed within MATLAB for the specific study, the numerical calculations presented in the paper are used as reference test cases for integration of the (u,p,φ) formulation in the commercial finite element code Ansys. (author)

  13. Compliance functions for embedded hemispherical foundations considering structure-to-structure interaction with adjacent foundations

    International Nuclear Information System (INIS)

    Manrique, M.A.; Dermitzakis, S.N.; Desmond, T.P.

    1987-01-01

    In this paper, the actual geometrical characteristics of the hemispherical foundation have been considered. Furthermore, the foundation of an adjacent surface founded structure has been included in the analytical model to assess the effects resulting from foundation-to-foundation coupling on the compliance functions of the coupled system. The analysis of the coupled foundation system was performed using the computer code SASSI. Compliance functions obtained with SASSI include foundation-to-foundation interaction and embedment effects. Additional analyses were performed using the computer code CLASSI to obtain solutions for a surface founded disk enclosed with a ring-shaped foundation. The CLASSI results are compared with the SASSI results to assess the effects of embedment and foundation-to-foundation coupling

  14. Compliance functions for embedded hemispherical foundations considering structure-to-structure interaction with adjacent foundations

    International Nuclear Information System (INIS)

    Manrique, M.A.; Dermitzakis, S.N.; Desmond, T.P.

    1987-01-01

    The actual geometrical characteristics of the hemispherical foundation are considered. Furthermore, the foundation of an adjacent surface founded structure is included in the analytical model to assess the effects resulting from foundation-to-foundation coupling on the compliance functions of the coupled system. The analysis of the coupled foundation system was performed using the computer code SASSI. Compliance functions obtained with SASSI include foundation-to-foundation interaction and embedment effects. Additional analyses were performed using the computer code CLASSI to obtain solutions for a surface founded disk enclosed with a ring-shaped foundation. The CLASSI results are compared with the SASSI results to assess the effects of embedment and foundation-to foundation coupling. (orig./HP)

  15. Effect of groundwater on soil-structure interaction

    International Nuclear Information System (INIS)

    Xu, J.; Bandyopadhyay, K.K.; Kassir, M.K.

    1995-01-01

    This paper presents results of a parametric study performed to investigate the effect of pore water in saturated soils on the response of nuclear containment structures to seismic motions. The technique employed uses frequency domain algorithm which incorporates impedances for both dry and saturated soils into an SSI model. A frequency domain time history analysis is carried out using the computer code CARES for a typical PWR containment structure. Structural responses presented in terms of floor response spectra indicate that considering the presence of the pore water in soils could benefit the design of massive nuclear containment structures

  16. Robust Generation of Dynamic Data Structure Visualizations with Multiple Interaction Approaches

    Science.gov (United States)

    Cross, James H., II; Hendrix, T. Dean; Umphress, David A.; Barowski, Larry A.; Jain, Jhilmil; Montgomery, Lacey N.

    2009-01-01

    jGRASP has three integrated approaches for interacting with its dynamic viewers for data structures: debugger, workbench, and text-based interactions that allow individual Java statements and expressions to be executed/evaluated. These approaches can be used together to provide a complementary set of interactions with the dynamic viewers. Data…

  17. Interactions

    DEFF Research Database (Denmark)

    The main theme of this anthology is the unique interaction between mathematics, physics and philosophy during the beginning of the 20th century. Seminal theories of modern physics and new fundamental mathematical structures were discovered or formed in this period. Significant physicists such as ......The main theme of this anthology is the unique interaction between mathematics, physics and philosophy during the beginning of the 20th century. Seminal theories of modern physics and new fundamental mathematical structures were discovered or formed in this period. Significant physicists...... such as Lorentz and Einstein as well as mathematicians such as Poincare, Minkowski, Hilbert and Weyl contributed to this development. They created the new physical theories and the mathematical disciplines that play such paramount roles in their mathematical formulations. These physicists and mathematicians were...... also key figures in the philosophical discussions of nature and science - from philosophical tendencies like logical empiricism via critical rationalism to various neo-Kantian trends....

  18. Monitoring of Students' Interaction in Online Learning Settings by Structural Network Analysis and Indicators.

    Science.gov (United States)

    Ammenwerth, Elske; Hackl, Werner O

    2017-01-01

    Learning as a constructive process works best in interaction with other learners. Support of social interaction processes is a particular challenge within online learning settings due to the spatial and temporal distribution of participants. It should thus be carefully monitored. We present structural network analysis and related indicators to analyse and visualize interaction patterns of participants in online learning settings. We validate this approach in two online courses and show how the visualization helps to monitor interaction and to identify activity profiles of learners. Structural network analysis is a feasible approach for an analysis of the intensity and direction of interaction in online learning settings.

  19. Dynamic analysis of structures with solid-fluid interaction

    International Nuclear Information System (INIS)

    Nahavandi, A.N.; Pedrido, R.R.; Cloud, R.L.

    1977-01-01

    This study develops a finite element model for interaction between an elastic solid and fluid medium (flow-induced vibrations in nuclear reactor components). Plane triangular finite elements have been used separately for fluid, solid, and solid-fluid continuua and the equivalent mass, damping, and stiffness matrices and interaction load arrays for all elements are derived and assembled into global matrices. The global matrix differential equation of motion developed is solved in time to obtain the pressure and velocity distributions in the fluid, as well as the displacements in the solid. Two independent computer programs are used to obtain the dynamic solution. The first program is a finite element program developed for solid-fluid interaction studies. This program uses the modal superposition technique in which the eigenvalues and eigenvectors for the system are found and used to uncouple the equations. This approach allows an analytic solution in each integration time step. The second program is WECAN finite element program in which a new element library subroutine for solid-fluid interaction was incorporated. This program can employ a NASTRAN direct integration scheme based on a central difference formula for the acceleration and velocity terms and an implicit representation of the displacement term. This reduces the problem to a matrix equation whose right hand side is updated in every time step and is solved by a variation of the Gaussian elimination method known as the wave front technique. Results have been obtained for the case of water, between two flat elastic parallel plates, initially at rest and accelerated suddenly by applying a step pressure. The results obtained from the above-mentioned two independent finite element programs are in full agreement. This verification provides the confidence needed to initiate parametric studies. Both rigid wall (no solid-fluid interaction) and flexible wall (including solid-fluid interaction) cases were examined

  20. New density-independent interactions for nuclear structure calculations

    Directory of Open Access Journals (Sweden)

    Bennaceur K.

    2014-03-01

    Full Text Available We present a new two-body finite-range and momentum-dependent but density-independent effective interaction, which can be interpreted as a regularized zerorange force. We show that no three-body or density-dependent terms are needed for a correct description of saturation properties in infinite matter, that is, on the level of lowenergy density functional, the physical three-body effects can be efficiently absorbed in effective two-body terms. The new interaction gives a satisfying equation of state of nuclear matter and opens up extremely interesting perspectives for the mean-field and beyond-mean-field descriptions of atomic nuclei.

  1. SAFAS: Unifying Form and Structure through Interactive 3D Simulation

    Science.gov (United States)

    Polys, Nicholas F.; Bacim, Felipe; Setareh, Mehdi; Jones, Brett D.

    2015-01-01

    There has been a significant gap between the tools used for the design of a building's architectural form and those that evaluate the structural physics of that form. Seeking to bring the perspectives of visual design and structural engineering closer together, we developed and evaluated a design tool for students and practitioners to explore the…

  2. Structure and dynamics in Lac repressor-DNA interactions

    NARCIS (Netherlands)

    Kaptein, R.

    2013-01-01

    The E. coli lac operon is the classical model for gene regulation in bacteria. An overview will be given of our work on the lac repressor-operator system. An early result was the 3D structure of lac headpiece in 1985, one of the first protein structures determined by NMR. Our studies of the

  3. Analysis and Design Tools for Fluid-Structure Interaction with Multi-Body Flexible Structures, Phase I

    Data.gov (United States)

    National Aeronautics and Space Administration — The overall objective of this proposal (Phases I and II) is to develop a robust and accurate solver for fluid-structure interaction computations capable of...

  4. Sloshing, fluid-structure interaction and structural response due to shock and impact loads 1994. PVP-Vol. 272

    International Nuclear Information System (INIS)

    Ma, D.C.; Shin, Y.S.; Brochard, D.; Fujita, K.

    1994-01-01

    This volume is comprised of papers presented in two symposia at the 1994 ASME Pressure Vessels and Piping Conference. These sessions, sponsored by the Fluid-Structure Interaction and Seismic Engineering Technical Committees, provided a forum for the discussion of recent advances in sloshing, fluid-structure interaction, and structural dynamics produced by high energy excitations. The papers presented at the four technical sessions on Sloshing and Fluid-Structure Interaction represent a broad spectrum of fluid-structure systems: sloshing, fluid-structure interaction, and dynamic and seismic response of various fluid-structure systems such as reactor components, liquid storage tanks, submerged structures and piping systems, etc. The paper presented at the session on Structural Dynamics Produced by High-Energy Excitations cover underwater explosion effects on submerged structures, bubble loading phenomena, finite element mesh refinements on failure predictions, penetration and impact problems, and dynamic design of blast containment vessels. Also included are numerical analysis, design, and testing to understand difficult transient response phenomena. Separate abstracts were prepared for 24 papers in this volume

  5. Topology optimization of fluid-structure-interaction problems in poroelasticity

    DEFF Research Database (Denmark)

    Andreasen, Casper Schousboe; Sigmund, Ole

    2013-01-01

    with the deformation of the elastic skeleton through a macroscopic Darcy-type flow law. The method allows to impose pressure loads for static problems through a one way coupling, while transient problems are fully coupled modeling the interaction between fluid and solid. The material distribution is determined...

  6. 3D, parallel fluid-structure interaction code

    CSIR Research Space (South Africa)

    Oxtoby, Oliver F

    2011-01-01

    Full Text Available The authors describe the development of a 3D parallel Fluid–Structure–Interaction (FSI) solver and its application to benchmark problems. Fluid and solid domains are discretised using and edge-based finite-volume scheme for efficient parallel...

  7. Competition for vitamin B1 (thiamin) structures numerous ecological interactions.

    Science.gov (United States)

    Kraft, Clifford E; Angert, Esther R

    2017-06-01

    Thiamin (vitamin B1) is a cofactor required for essential biochemical reactions in all living organisms, yet free thiamin is scarce in the environment. The diversity of biochemical pathways involved in the acquisition, degradation, and synthesis of thiamin indicates that organisms have evolved numerous ecological strategies for meeting this nutritional requirement. In this review we synthesize information from multiple disciplines to show how the complex biochemistry of thiamin influences ecological outcomes of interactions between organisms in environments ranging from the open ocean and the Australian outback to the gastrointestinal tract of animals. We highlight population and ecosystem responses to the availability or absence of thiamin. These include widespread mortality of fishes, birds, and mammals, as well as the thiamin-dependent regulation of ocean productivity. Overall, we portray thiamin biochemistry as the foundation for molecularly mediated ecological interactions that influence survival and abundance of a vast array of organisms.

  8. Electron-lattice Interaction and Nonlinear Excitations in Cuprate Structures

    International Nuclear Information System (INIS)

    Paulsen, J.; Eschrig, H.; Drechsler, S.L.; Malek, J.

    1995-01-01

    A low temperature lattice modulation of the chains of the YBa 2 Cu 3 O 7 is considered by deriving a Hamiltonian of electron-lattice interaction from density-functional calculations for deformed lattice and solving it for the groundstate. Hubbard-type Coulomb interaction is included. The obtained groundstate is a charge-density-wave state with a pereodicity of four lattice constants and a gap for one-electron excitations of about 1eV, sensitively depending on parameters of the Hamiltonian. There are lots of polaronic and solitonic excitations with formation energies deep in the gap, which can pin the Fermi level and thus produce again metallicity of the chain. They might also contribute to pairing of holes in adjacent CuO 2 -planes. (author)

  9. A General Field Theory for Vortex Structure and Interaction,

    Science.gov (United States)

    1983-10-03

    Research • .£DTIC •Under Contract No: iF£.. CTE N00014-80-C-0026 - [ , 27 3 3 otro fA 5?3 99 D’ST-UTIN STATMENT A Approvod tot pullic releaxs- L. i ibt...undoubtedly through the * interaction governed by the fifth Law. In this way, hurricanes -- may be passed form one group to another, like a football from one

  10. Minimal metabolic pathway structure is consistent with associated biomolecular interactions

    DEFF Research Database (Denmark)

    Bordbar, Aarash; Nagarajan, Harish; Lewis, Nathan E.

    2014-01-01

    Pathways are a universal paradigm for functionally describing cellular processes. Even though advances in high-throughput data generation have transformed biology, the core of our biological understanding, and hence data interpretation, is still predicated on human-defined pathways. Here, we...... suggesting a functional organization for metabolism based on parsimonious use of cellular components. We use the inherent predictive capability of these pathways to experimentally discover novel transcriptional regulatory interactions in Escherichia coli metabolism for three transcription factors...

  11. Identifying and modeling the structural discontinuities of human interactions

    Science.gov (United States)

    Grauwin, Sebastian; Szell, Michael; Sobolevsky, Stanislav; Hövel, Philipp; Simini, Filippo; Vanhoof, Maarten; Smoreda, Zbigniew; Barabási, Albert-László; Ratti, Carlo

    2017-04-01

    The idea of a hierarchical spatial organization of society lies at the core of seminal theories in human geography that have strongly influenced our understanding of social organization. Along the same line, the recent availability of large-scale human mobility and communication data has offered novel quantitative insights hinting at a strong geographical confinement of human interactions within neighboring regions, extending to local levels within countries. However, models of human interaction largely ignore this effect. Here, we analyze several country-wide networks of telephone calls - both, mobile and landline - and in either case uncover a systematic decrease of communication induced by borders which we identify as the missing variable in state-of-the-art models. Using this empirical evidence, we propose an alternative modeling framework that naturally stylizes the damping effect of borders. We show that this new notion substantially improves the predictive power of widely used interaction models. This increases our ability to understand, model and predict social activities and to plan the development of infrastructures across multiple scales.

  12. Nuclear structure calculations in the dynamic-interaction propagator approach

    International Nuclear Information System (INIS)

    Engelbrecht, C.A.; Hahne, F.J.W.; Heiss, W.D.

    1978-01-01

    The dynamic-interaction propagator approach provides a natural method for the handling of energy-dependent effective two-body interactions induced by collective excitations of a many-body system. In this work this technique is applied to the calculation of energy spectra and two-particle strengths in mass-18 nuclei. The energy dependence is induced by the dynamic exchange of the lowest 3 - octupole phonon in O 16 , which is described within a normal static particle-hole RPA. This leads to poles in the two-body self-energy, which can be calculated if other fermion lines are restricted to particle states. The two-body interaction parameters are chosen to provide the correct phonon energy and reasonable negative-parity mass-17 and positive-parity mass-18 spectra. The fermion lines must be dressed consistently with the same exchange phonon to avoid redundant solutions or ghosts. The negative-parity states are then calculated in a parameter-free way which gives good agreement with the observed spectra [af

  13. Predicting drug-drug interactions through drug structural similarities and interaction networks incorporating pharmacokinetics and pharmacodynamics knowledge.

    Science.gov (United States)

    Takeda, Takako; Hao, Ming; Cheng, Tiejun; Bryant, Stephen H; Wang, Yanli

    2017-01-01

    Drug-drug interactions (DDIs) may lead to adverse effects and potentially result in drug withdrawal from the market. Predicting DDIs during drug development would help reduce development costs and time by rigorous evaluation of drug candidates. The primary mechanisms of DDIs are based on pharmacokinetics (PK) and pharmacodynamics (PD). This study examines the effects of 2D structural similarities of drugs on DDI prediction through interaction networks including both PD and PK knowledge. Our assumption was that a query drug (Dq) and a drug to be examined (De) likely have DDI if the drugs in the interaction network of De are structurally similar to Dq. A network of De describes the associations between the drugs and the proteins relating to PK and PD for De. These include target proteins, proteins interacting with target proteins, enzymes, and transporters for De. We constructed logistic regression models for DDI prediction using only 2D structural similarities between each Dq and the drugs in the network of De. The results indicated that our models could effectively predict DDIs. It was found that integrating structural similarity scores of the drugs relating to both PK and PD of De was crucial for model performance. In particular, the combination of the target- and enzyme-related scores provided the largest increase of the predictive power.Graphical abstract.

  14. Structural Comparison of Different Antibodies Interacting with Parvovirus Capsids

    Energy Technology Data Exchange (ETDEWEB)

    Hafenstein, Susan; Bowman, Valorie D.; Sun, Tao; Nelson, Christian D.S.; Palermo, Laura M.; Chipman, Paul R.; Battisti, Anthony J.; Parrish, Colin R.; Rossmann, Michael G.; Cornell; Purdue

    2009-05-13

    The structures of canine parvovirus (CPV) and feline parvovirus (FPV) complexed with antibody fragments from eight different neutralizing monoclonal antibodies were determined by cryo-electron microscopy (cryoEM) reconstruction to resolutions varying from 8.5 to 18 {angstrom}. The crystal structure of one of the Fab molecules and the sequence of the variable domain for each of the Fab molecules have been determined. The structures of Fab fragments not determined crystallographically were predicted by homology modeling according to the amino acid sequence. Fitting of the Fab and virus structures into the cryoEM densities identified the footprints of each antibody on the viral surface. As anticipated from earlier analyses, the Fab binding sites are directed to two epitopes, A and B. The A site is on an exposed part of the surface near an icosahedral threefold axis, whereas the B site is about equidistant from the surrounding five-, three-, and twofold axes. One antibody directed to the A site binds CPV but not FPV. Two of the antibodies directed to the B site neutralize the virus as Fab fragments. The differences in antibody properties have been linked to the amino acids within the antibody footprints, the position of the binding site relative to the icosahedral symmetry elements, and the orientation of the Fab structure relative to the surface of the virus. Most of the exposed surface area was antigenic, although each of the antibodies had a common area of overlap that coincided with the positions of the previously mapped escape mutations.

  15. Prediction of protein–protein interactions: unifying evolution and structure at protein interfaces

    International Nuclear Information System (INIS)

    Tuncbag, Nurcan; Gursoy, Attila; Keskin, Ozlem

    2011-01-01

    The vast majority of the chores in the living cell involve protein–protein interactions. Providing details of protein interactions at the residue level and incorporating them into protein interaction networks are crucial toward the elucidation of a dynamic picture of cells. Despite the rapid increase in the number of structurally known protein complexes, we are still far away from a complete network. Given experimental limitations, computational modeling of protein interactions is a prerequisite to proceed on the way to complete structural networks. In this work, we focus on the question 'how do proteins interact?' rather than 'which proteins interact?' and we review structure-based protein–protein interaction prediction approaches. As a sample approach for modeling protein interactions, PRISM is detailed which combines structural similarity and evolutionary conservation in protein interfaces to infer structures of complexes in the protein interaction network. This will ultimately help us to understand the role of protein interfaces in predicting bound conformations

  16. Neutron diffraction studies of chemical structure and interaction

    International Nuclear Information System (INIS)

    Lehmann, M.S.

    1985-01-01

    The analysis of chemical structure, using neutron crystallography, is reviewed. First the various aspects of neutron diffraction are discussed and special advantages are outlined. Then various themes within the study of three-dimensional crystalline material are treated. The most traditional of these, the location of light atoms in structures, is shown to remain important, and likewise high-precision work still gives much new information. Within the last decade powder analysis has become a tool in chemical analysis. This is partly due to developments in monochromator technology, computer applications and large area detectors. For very similar reasons studies of materials in real time and under extreme conditions are becoming frequent. We therefore observe both a continuing use of traditional neutron crystallographic techniques, and a growth of new methods and areas which depend on instrumental developments. With the advent of new sources and larger detector systems, further advances can thus be expected in the application of neutrons in structural chemistry. (author)

  17. Use of Lanczos vectors in fluid/structure interaction problems

    International Nuclear Information System (INIS)

    Jeans, R.; Mathews, I.C.

    1992-01-01

    The goals of any numerical computational technique used for the solution of structural acoustics problems in the exterior infinite domain should be of accuracy with rapid convergence, robustness, and computational efficiency. A computer program has been developed to achieve each of these three goals. Accuracy and robustness in the numerical representation of the integral equations used to represent the infinite fluid was attained through the use of boundary element implementations of the surface Helmholtz integral equations. The computational efficiency was resolved through the use of Lanczos vectors to model the deformation characteristics of the structure. The authors have developed collocation and variational techniques to overcome the difficulties previously encountered in the numerical implementation of the hypersingular integral operator. The Cauchy singularity present in the integral formulation is made numerically amenable through the use of tangential derivatives in both the collocation and variational techniques. The variational approach has the advantage that the resulting added fluid mass term is symmetric and combines efficiently with a finite element approximation of the structural elastic response. Several different strategies making use of the Lanczos vectors have been investigated. The first involved the use of Lanczos vectors solely to characterize the structural response. This reduced form of the structural dynamical matrix was then substituted back into a Burton and Miller formulation of the acoustic problem. The second strategy investigated involved forming the complex Lanzcos vectors of the dynamical matrix formed from the addition of a symmetrical added fluid matrix to the structural mass matrix. The size of resultant matrix equation set solved at each frequency for this strategy is determined by the number of Lanczos vectors used. 19 refs., 10 figs., 2 tabs

  18. Description of a method for computing fluid-structure interaction

    International Nuclear Information System (INIS)

    Gantenbein, F.

    1982-02-01

    A general formulation allowing computation of structure vibrations in a dense fluid is described. It is based on fluid modelisation by fluid finite elements. For each fluid node are associated two variables: the pressure p and a variable π defined as p=d 2 π/dt 2 . Coupling between structure and fluid is introduced by surface elements. This method is easy to introduce in a general finite element code. Validation was obtained by analytical calculus and tests. It is widely used for vibrational and seismic studies of pipes and internals of nuclear reactors some applications are presented [fr

  19. Crossing Phenomena in Overhead Line Equipment (OHLE) Structure in 3D Space Considering Soil-Structure Interaction

    Science.gov (United States)

    Ngamkhanong, Chayut; Kaewunruen, Sakdirat; Baniotopoulos, Charalampos; Papaelias, Mayorkinos

    2017-10-01

    Nowadays, the electric train becomes one of the efficient railway systems that are lighter, cleaner, quieter, cheaper and faster than a conventional train. Overhead line equipment (OHLE), which supplies electric power to the trains, is designed on the principle of overhead wires placed over the railway track. The OHLE is supported by mast structure which located at the lineside along the track. Normally, mast structure is a steel column or truss structure which supports the overhead wire carrying the power. Due to the running train and severe periodic force, such as an earthquake, in surrounding area may cause damage to the OHLE structure especially mast structure which leads to the failure of the electrical system. The mast structure needs to be discussed in order to resist the random forces. Due to the vibration effect, the natural frequencies of the structure are necessary. This is because when the external applied force occurs within a range of frequency of the structure, resonance effect can be expected which lead to the large oscillations and deflections. The natural frequency of a system is dependent only on the stiffness of the structure and the mass which participates with the structure, including self-weight. The modal analysis is used in order to calculate the mode shapes and natural frequencies of the mast structure during free vibration. A mast structure with varying rotational soil stiffness is used to observe the influence of soil-structure action. It is common to use finite element analysis to perform a modal analysis. This paper presents the fundamental mode shapes, natural frequencies and crossing phenomena of three-dimensional mast structure considering soil-structure interaction. The sensitivity of mode shapes to the variation of soil-structure interaction is discussed. The outcome of this study will improve the understanding of the fundamental dynamic behaviour of the mast structure which supports the OHLE. Moreover, this study will be a

  20. Modeling turbulence structure. Chemical kinetics interaction in turbulent reactive flows

    Energy Technology Data Exchange (ETDEWEB)

    Magnussen, B.F. [The Norwegian Univ. of Science and Technology, Trondheim (Norway)

    1997-12-31

    The challenge of the mathematical modelling is to transfer basic physical knowledge into a mathematical formulation such that this knowledge can be utilized in computational simulation of practical problems. The combustion phenomena can be subdivided into a large set of interconnected phenomena like flow, turbulence, thermodynamics, chemical kinetics, radiation, extinction, ignition etc. Combustion in one application differs from combustion in another area by the relative importance of the various phenomena. The difference in fuel, geometry and operational conditions often causes the differences. The computer offers the opportunity to treat the individual phenomena and their interactions by models with wide operational domains. The relative magnitude of the various phenomena therefore becomes the consequence of operational conditions and geometry and need not to be specified on the basis of experience for the given problem. In mathematical modelling of turbulent combustion, one of the big challenges is how to treat the interaction between the chemical reactions and the fluid flow i.e. the turbulence. Different scientists adhere to different concepts like the laminar flamelet approach, the pdf approach of the Eddy Dissipation Concept. Each of these approaches offers different opportunities and problems. All these models are based on a sound physical basis, however none of these have general validity in taking into consideration all detail of the physical chemical interaction. The merits of the models can only be judged by their ability to reproduce physical reality and consequences of operational and geometric conditions in a combustion system. The presentation demonstrates and discusses the development of a coherent combustion technology for energy conversion and safety based on the Eddy Dissipation Concept by Magnussen. (author) 30 refs.

  1. Soil-structure interaction analysis by Green function

    International Nuclear Information System (INIS)

    Muto, Kiyoshi; Kobayashi, Toshio; Nakahara, Mitsuharu.

    1985-01-01

    Using the method of discretized Green function which had been suggested by the authors, the parametric study of the effects of base mat foundation thickness and soil stiffness were conducted. There was no upper structure effects from the response and reaction stress of the soil by employing different base mat foundation thicknesses. However, the response stress of base mat itself had considerable effect on the base mat foundation stress. The harder the soil, became larger accelerations, and smaller displacements on the upper structure. The upper structure lines of force were directed onto the soil. In the case of soft soil, the reaction soil stress were distributed evenly over the entire reactor building area. Common characteristics of all cases, in-plane shear deformation of the upper floor occured and in-plane acceleration and displacement at the center of the structure become larger. Also, the soil stresses around the shield wall of the base mat foundation became large cecause of the effect of the shield wall bending. (Kubozono, M.)

  2. Structural differences of xylans affect their interaction with cellulose

    NARCIS (Netherlands)

    Kabel, M.A.; Borne, van den H.; Vincken, J.P.; Voragen, A.G.J.; Schols, H.A.

    2007-01-01

    The affinity of xylan to cellulose is an important aspect of many industrial processes, e.g. production of cellulose, paper making and bio-ethanol production. However, little is known about the adsorption of structurally different xylans to cellulose. Therefore, the adsorption of various xylans to

  3. Experimental validation of the interaction between combustion and structural vibration.

    NARCIS (Netherlands)

    Huls, R.A.; de Boer, Andries; Kok, Jacobus B.W.; van der Hoogt, Peter

    2005-01-01

    To decrease NOx emissions from combustion systems, lean premixed combustion is used. A disadvantage is the increase in sound pressure levels in the combustor, resulting in an increased excitation of the surrounding structure: the liner. This causes fatigue, which limits the life time of the

  4. Flow-structure-seabed interactions in coastal and marine environments

    DEFF Research Database (Denmark)

    Sumer, B. Mutlu

    2014-01-01

    related to structures such as marine pipelines, offshore windfarms, and multiuse offshore platforms. Tsunamis, which received considerable attention after two recent extreme events (2004 Indonesia tsunami and 2011 Japan tsunami) are also included in the discussion. Marine hydro-geomechanics is highlighted...

  5. Variations within simple models for structure-soil interaction

    DEFF Research Database (Denmark)

    Peplow, Andrew; Andersen, Lars Vabbersgaard; Bucinskas, Paulius

    2017-01-01

    The dynamic response of blocks sitting on a half-space is considered. Buildings and other structures placed on or within the ground influence the transmission of seismic waves. Hence, the presence of a building will have an impact on the dynamic response of neighbouring buildings. Furthermore, ob...

  6. Antagonistic interaction networks are structured independently of latitude and host guild

    Science.gov (United States)

    Morris, Rebecca J; Gripenberg, Sofia; Lewis, Owen T; Roslin, Tomas

    2014-01-01

    An increase in species richness with decreasing latitude is a prominent pattern in nature. However, it remains unclear whether there are corresponding latitudinal gradients in the properties of ecological interaction networks. We investigated the structure of 216 quantitative antagonistic networks comprising insect hosts and their parasitoids, drawn from 28 studies from the High Arctic to the tropics. Key metrics of network structure were strongly affected by the size of the interaction matrix (i.e. the total number of interactions documented between individuals) and by the taxonomic diversity of the host taxa involved. After controlling for these sampling effects, quantitative networks showed no consistent structural patterns across latitude and host guilds, suggesting that there may be basic rules for how sets of antagonists interact with resource species. Furthermore, the strong association between network size and structure implies that many apparent spatial and temporal variations in network structure may prove to be artefacts. PMID:24354432

  7. Interactive extraction of neural structures with user-guided morphological diffusion

    KAUST Repository

    Yong Wan,

    2012-10-01

    Extracting neural structures with their fine details from confocal volumes is essential to quantitative analysis in neurobiology research. Despite the abundance of various segmentation methods and tools, for complex neural structures, both manual and semi-automatic methods are ine ective either in full 3D or when user interactions are restricted to 2D slices. Novel interaction techniques and fast algorithms are demanded by neurobiologists to interactively and intuitively extract neural structures from confocal data. In this paper, we present such an algorithm-technique combination, which lets users interactively select desired structures from visualization results instead of 2D slices. By integrating the segmentation functions with a confocal visualization tool neurobiologists can easily extract complex neural structures within their typical visualization workflow.

  8. Numerical study of coupled fluid-structure interaction for combustion system

    NARCIS (Netherlands)

    Khatir, Z.; Pozarlik, Artur Krzysztof; Cooper, R.K.; Watterson, J.W.; Kok, Jacobus B.W.

    2007-01-01

    The computation of fluid–structure interaction (FSI) problems requires solving simultaneously the coupled fluid and structure equations. A partitioned approach using a volume spline solution procedure is applied for the coupling of fluid dynamics and structural dynamics codes. For comparative study,

  9. Structural interaction and functional regulation of polycystin-2 by filamin.

    Directory of Open Access Journals (Sweden)

    Qian Wang

    Full Text Available Filamins are important actin cross-linking proteins implicated in scaffolding, membrane stabilization and signal transduction, through interaction with ion channels, receptors and signaling proteins. Here we report the physical and functional interaction between filamins and polycystin-2, a TRP-type cation channel mutated in 10-15% patients with autosomal dominant polycystic kidney disease. Yeast two-hybrid and GST pull-down experiments demonstrated that the C-termini of filamin isoforms A, B and C directly bind to both the intracellular N- and C-termini of polycystin-2. Reciprocal co-immunoprecipitation experiments showed that endogenous polycystin-2 and filamins are in the same complexes in renal epithelial cells and human melanoma A7 cells. We then examined the effect of filamin on polycystin-2 channel function by electrophysiology studies with a lipid bilayer reconstitution system and found that filamin-A substantially inhibits polycystin-2 channel activity. Our study indicates that filamins are important regulators of polycystin-2 channel function, and further links actin cytoskeletal dynamics to the regulation of this channel protein.

  10. Soil-structure interaction analysis of NPP containments: substructure and frequency domain methods

    International Nuclear Information System (INIS)

    Venancio-Filho, F.; Almeida, M.C.F.; Ferreira, W.G.; De Barros, F.C.P.

    1997-01-01

    Substructure and frequency domain methods for soil-structure interaction are addressed in this paper. After a brief description of mathematical models for the soil and of excitation, the equations for dynamic soil-structure interaction are developed for a rigid surface foundation and for an embedded foundation. The equations for the frequency domain analysis of MDOF systems are provided. An example of soil-structure interaction analysis with frequency-dependent soil properties is given and examples of identification of foundation impedance functions and soil properties are presented. (orig.)

  11. Topological Design for Acoustic-Structure Interaction Problems with a Mixed Finite Element Method

    DEFF Research Database (Denmark)

    Yoon, Gil Ho; Jensen, Jakob Søndergaard; Sigmund, Ole

    2006-01-01

    We propose a gradient based topology optimization algorithm for acoustic-structure (Vibro-acoustic) interaction problems without an explicit interfacing boundary representation. In acoustic-structure interaction problems, the pressure field and the displacement field are governed by the Helmholtz...... to subdomain interfaces evolving during the optimization process. In this paper, we propose to use a mixed finite element formulation with displacements and pressure as primary variables (u/p formulation) which eliminates the need for explicit boundary representation. In order to describe the Helmholtz...... acoustic-structure interaction problems are optimized to show the validity of the proposed method....

  12. Influence of ground water on soil-structure interaction

    International Nuclear Information System (INIS)

    Costantino, C.J.; Graves, H.L.

    1987-01-01

    The basic problem consists of a liner flexible structure situated at or near the surface of a soil half-space. In keeping with typical small strain seismic analyses, the soil skeleton is represented as a linear medium in which all potential nonlinearities are at most lumped together into an equivalent hysteretic damping modulus. In addition, the ground water level is located at some depth relatively close to the structure, and in a position to impact on the seismic response of the facility. In order to estimate the response of this oil-water system, the two-phased medium formulation of Biot was used to treat the response of the solids and water as two separate linear media, coupled together through soil permeability and volume effects. (orig./HP)

  13. Wave-Structure Interactions on Point Absorbers - an experimental study

    DEFF Research Database (Denmark)

    Jakobsen, Morten Møller

    : A practical and reliable method to run experiments with combined waves and current. Loads on a WEC’s are affected by currents both directly and indirectly. The current adds to the particle velocity around the device and affects the shape of the waves. Work is carried out to find a way to make experiments...... of a wave energy device by determin- ing the loads on the device. The loads plays a key part in optimizing the power extraction, reducing the structural cost, and increasing the survivabil- ity. Experiments are carried out in small and large scale and compared to simulations and empirical functions. The WEC...... been done to determine peak pressures on mono-piles worldwide, but only very little on spherical structures. In order to shed more light on the wave induced loads on a hemisphere the peak pressures are measured with the traditional drop test and during impact of so-called freak waves. 3: Implementation...

  14. Calibrated and Interactive Modelling of Form-Active Hybrid Structures

    DEFF Research Database (Denmark)

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

    2016-01-01

    at a fraction of the weight of traditional building elements and do so with a clear aesthetic expression of force flow and equilibrium. The design of FAHS is limited by one significant restriction: the geometry definition, form-finding and structural analysis are typically performed in separate and bespoke...... software packages which introduce interruptions and data exchange issues in the modelling pipeline. The mechanical precision, stability and open software architecture of Kangaroo has facilitated the development of proof-of-concept modelling pipelines which tackle this challenge and enable powerful...... materially-informed sketching. Making use of a projection-based dynamic relaxation solver for structural analysis, explorative design has proven to be highly effective....

  15. Finite Element Solution of Fluid-Structure Interaction Problems

    Science.gov (United States)

    1976-10-01

    N7AMEKSAD11111 rinouui seeu 11010A M aifel "l~ina lide.) IS. SECUR1YT CLASS. (of I%#l IOlWJ UNCLASSIFIED S-ITRSTON ITT-N .. APPIROVED FOR PUBLIC RELLA1SE...et al 2 to determine the acoustic radiation from a piezoelectric cylinder. "Everstine et al3 reviewed this and other methods for fluid-structure

  16. Effects of flexibility and soil-structure interaction on a completely buried structure with a heavily loaded roof system

    International Nuclear Information System (INIS)

    Chen, R.C.; Maryak, M.E.; Mulliken, J.S.

    1993-01-01

    A completely buried structure with a heavily loaded roof system has been analyzed for seismic forces. The seismic input was a site-specific spectrum shape anchored at 0.2g zero period acceleration in the horizontal directions, and the vertical input was prescribed at two thirds of the horizontal input. Models of the structure were developed to account for the flexibility of the base mat, walls, and roof, and were analyzed for the above seismic input with uncertainties in the soil properties considered. The results indicate that horizontal rigid body soil-structure interaction effects are negligible and the seismic amplifications are dominated by the soil-structure system natural frequencies. In addition, the analysis shows that the flexibility of the structure and soil-structure interaction cause considerable amplification of the vertical structural response of the facility's roof system. Finally it was shown that the computer program SASSI can be used to predict the soil-structure interaction responses of a completely buried structure

  17. Assessment of seismic wave effects on soil-structure interaction

    International Nuclear Information System (INIS)

    Bernreuter, D.L.

    1977-03-01

    It is normally assumed in the seismic analysis of structures that the free-field motion which is used as input is the same for all points on a given level beneath the foundation mat. This represents a simplification, as not all particles of soil describe the same motion simultaneously. As the foundation mat of the structure is rigid in the horizontal direction, it will tend to average the ground motion. Abandoning the assumption of the uniformity of the input motion may lead to a reduction of the translational motion which a foundation mat will experience, as the displacement components will cancel each other to a certain extent. This is of considerable interest for the design of nuclear power plants which are very stiff, large structures. To investigate these effects, the extremely complex phenomenon of the passage of a seismic wave has to be simplified considerably. It is the purpose of this paper to determine if wave passage effects can be determined from the simplified analyses currently used

  18. Electron confinement in thin metal films. Structure, morphology and interactions

    Energy Technology Data Exchange (ETDEWEB)

    Dil, J.H.

    2006-05-15

    This thesis investigates the interplay between reduced dimensionality, electronic structure, and interface effects in ultrathin metal layers (Pb, In, Al) on a variety of substrates (Si, Cu, graphite). These layers can be grown with such a perfection that electron confinement in the direction normal to the film leads to the occurrence of quantum well states in their valence bands. These quantum well states are studied in detail, and their behaviour with film thickness, on different substrates, and other parameters of growth are used here to characterise a variety of physical properties of such nanoscale systems. The sections of the thesis deal with a determination of quantum well state energies for a large data set on different systems, the interplay between film morphology and electronic structure, and the influence of substrate electronic structure on their band shape; finally, new ground is broken by demonstrating electron localization and correlation effects, and the possibility to measure the influence of electron-phonon coupling in bulk bands. (orig.)

  19. The Contradictions and Compartmentalizing the Interactions between Integrated Business Structures: Aspect of Branding

    Directory of Open Access Journals (Sweden)

    Nifatova Olena M.

    2017-04-01

    Full Text Available The article is aimed at identifying contradictions and developing a compartmentalizing as to the interaction between integrated business structures, taking into consideration the branding approach to management. The main specific features and contradictions that arise in the process of integration in the domestic market of mergers and acquisitions have been allocated. The contradictions identified were systematized and substantiated at three economic levels: macro-, meso-, and microeconomic. A compartmentalizing of the business units interaction in a merge or an acquisition process has been proposed. This compartmentalizing takes account of the branding aspect through the introduction of «brands interaction» – cluster interaction, circular interaction, holding interaction, linear interaction, which enhances the scientific view of exploring the problem of business units interaction in the process of the formations becoming integrated. The development of a compartmentalizing as to the interaction between integrated business structures, taking into consideration the branding approach to management, would provide a more effective use of the fundamental nature of branding as synergistic force in terms of the system of integration of business structures at the current stage of development of the national economy. Further development of branding issues in this sphere will have a significant impact on the functioning of the integrated business structures with the participation of Ukrainian companies.

  20. Structural Analysis of ‘key’ Interactions in Functional RNA Molecules

    KAUST Repository

    Chawla, Mohit

    2018-04-01

    The main objective of the thesis is to carry out structural bioinformatics study along with usage of advanced quantum chemical methods to look at the structural stability and energetics of RNA building blocks. The main focus of the work described here lies on understanding the reasons behind the intrinsic stability of key interactions in nucleic acids. Crystal structures of RNA molecules exhibit fascinating variety of non-covalent interactions, which play an important role in maintaining the three dimensional structures. An accurate atomic level description of these interactions in the structural building blocks of RNA is a key to understand the structure-function relationship in these molecules. An effort has been made to link the conclusions drawn from quantum chemical computations on RNA base pairs in wide biochemical context of their occurrence in RNA structures. The initial attention was on the impact of natural and non-natural modifications of the nucleic acid bases on the structure and stability of base pairs that they are involved in. In the remaining sections we cover other molecular interactions shaping nucleic acids, as the interaction between ribose and the bases, and the fluoride sensing riboswitch system in order to investigate structure and dynamics of nucleic acids at the atomic level and to gain insight into the physical chemistry behind.

  1. Soil-structure interaction effects on containment fragilities and floor response spectra statistics

    International Nuclear Information System (INIS)

    Pires, J.; Reich, M.; Chokshi, N.C.

    1987-01-01

    The probability-based method for the reliability evaluation of nuclear structures developed at Brookhaven National Laboratory (BNL) is extended to include soil-structure interaction effects. A reinforced concrete containment is analyzed in order to investigate the soil-structure interaction effects on: structural fragilities; floor response spectra statistics and acceleration response correlations. To include the effect of soil flexibility on the reliability assessment the following two step approach is used. In the first step, the lumped parameter method for soil-structure interaction analysis is used together with a stick model representation of the structure in order to obtain the motions of the foundation plate. These motions, which include both translations and rotations of the foundation plate, are expressed in terms of the power-spectral density of the free-field ground excitation and the transfer function of the total acceleration response of the foundation. The second step involves a detailed finite element model of the structure subjected to the interaction motions computed from step one. Making use of the structural model and interaction motion the reliability analysis method yields the limit stat probabilities and fragility data for the structure

  2. Seismic soil-structure interaction of foundations with large piles

    International Nuclear Information System (INIS)

    Zeevaert, L.

    1996-01-01

    In seismic regions with soft soil deposits subjected to ground surface subsidence, there is the necessity to support the weight of constructions on large diameter piles or piers hearing on deep firm strata. To justify the action of these elements working under flexo compression and shear, it is necessary to perform calculations of soil pile interaction from a practical engineering point of view and estimate the order of magnitude of the forces and displacements to which these elements will be subjected during the seismic action assigned to the foundation. In this paper we defined a pier as a large diameter pile constructed on site. Furthermore, in the seismic analysis it is necessary to evaluate the seismic pore water pressure to learn on the effective seismic soil stresses close to the ground surface. (author)

  3. Accelerating Full Configuration Interaction Calculations for Nuclear Structure

    Energy Technology Data Exchange (ETDEWEB)

    Yang, Chao; Sternberg, Philip; Maris, Pieter; Ng, Esmond; Sosonkina, Masha; Le, Hung Viet; Vary, James; Yang, Chao

    2008-04-14

    One of the emerging computational approaches in nuclear physics is the full configuration interaction (FCI) method for solving the many-body nuclear Hamiltonian in a sufficiently large single-particle basis space to obtain exact answers - either directly or by extrapolation. The lowest eigenvalues and correspondingeigenvectors for very large, sparse and unstructured nuclear Hamiltonian matrices are obtained and used to evaluate additional experimental quantities. These matrices pose a significant challenge to the design and implementation of efficient and scalable algorithms for obtaining solutions on massively parallel computer systems. In this paper, we describe the computational strategies employed in a state-of-the-art FCI code MFDn (Many Fermion Dynamics - nuclear) as well as techniques we recently developed to enhance the computational efficiency of MFDn. We will demonstrate the current capability of MFDn and report the latest performance improvement we have achieved. We will also outline our future research directions.

  4. Particle interactions in kaolinite suspensions and corresponding aggregate structures.

    Science.gov (United States)

    Gupta, Vishal; Hampton, Marc A; Stokes, Jason R; Nguyen, Anh V; Miller, Jan D

    2011-07-01

    The surface charge densities of the silica face surface and the alumina face surface of kaolinite particles, recently determined from surface force measurements using atomic force microscopy, show a distinct dependence on the pH of the system. The silica face was found to be negatively charged at pH>4, whereas the alumina face surface was found to be positively charged at pH8. The surface charge densities of the silica face and the alumina face were utilized in this study to determine the interaction energies between different surfaces of kaolinite particles. Results indicate that the silica face-alumina face interaction is dominant for kaolinite particle aggregation at low pH. This face-face association increases the stacking of kaolinite layers, and thereby promotes the edge-face (edge-silica face and edge-alumina face) and face-face (silica face-alumina face) associations with increasing pH, and hence the maximum shear-yield stress at pH 5-5.5. With further increase in pH, the face-face and edge-face association decreases due to increasing surface charge density on the silica face and the edge surfaces, and decreasing surface charge density on the alumina face. At high pH, all kaolinite surfaces become negatively charged, kaolinite particles are dispersed, and the suspension is stabilized. The face-face association at low pH has been confirmed from cryo-SEM images of kaolinite aggregates taken from suspension which show that the particles are mostly organized in a face-face and edge-face manner. At higher pH conditions, the cryo-SEM images of the kaolinite aggregates reveal a lower degree of consolidation and the edge-edge association is evident. Copyright © 2011 Elsevier Inc. All rights reserved.

  5. Teaching Three-Dimensional Structural Chemistry Using Crystal Structure Databases. 2. Teaching Units that Utilize an Interactive Web-Accessible Subset of the Cambridge Structural Database

    Science.gov (United States)

    Battle, Gary M.; Allen, Frank H.; Ferrence, Gregory M.

    2010-01-01

    A series of online interactive teaching units have been developed that illustrate the use of experimentally measured three-dimensional (3D) structures to teach fundamental chemistry concepts. The units integrate a 500-structure subset of the Cambridge Structural Database specially chosen for their pedagogical value. The units span a number of key…

  6. Predictive and Experimental Approaches for Elucidating Protein–Protein Interactions and Quaternary Structures

    Directory of Open Access Journals (Sweden)

    John Oliver Nealon

    2017-12-01

    Full Text Available The elucidation of protein–protein interactions is vital for determining the function and action of quaternary protein structures. Here, we discuss the difficulty and importance of establishing protein quaternary structure and review in vitro and in silico methods for doing so. Determining the interacting partner proteins of predicted protein structures is very time-consuming when using in vitro methods, this can be somewhat alleviated by use of predictive methods. However, developing reliably accurate predictive tools has proved to be difficult. We review the current state of the art in predictive protein interaction software and discuss the problem of scoring and therefore ranking predictions. Current community-based predictive exercises are discussed in relation to the growth of protein interaction prediction as an area within these exercises. We suggest a fusion of experimental and predictive methods that make use of sparse experimental data to determine higher resolution predicted protein interactions as being necessary to drive forward development.

  7. Variations within simple models for structure-soil interaction

    DEFF Research Database (Denmark)

    Peplow, Andrew; Andersen, Lars Vabbersgaard; Bucinskas, Paulius

    The dynamic response of blocks sitting on a half-space is considered. Buildings and other structures placed on or within the ground influence the transmission of seismic waves. Hence, the presence of a building will have an impact on the dynamic response of neighbouring buildings. Furthermore......, obstacles such as concrete blocks lead to wave scattering that may be beneficial or unfavourable for the response of a building close to, for example, a railway. To account for this dynamic cross coupling via the soil, a model must be accurate enough to provide the correct overall behaviour of the scattered...

  8. Soil-structure Interaction in the Seismic Response of Coupled Wall-frame Structures on Pile Foundations

    International Nuclear Information System (INIS)

    Carbonari, S.; Dezi, F.; Leoni, G.

    2008-01-01

    This paper presents a study on the seismic response of coupled wall-frame structures founded on piles. A complete soil-structure interaction analysis is carried out with reference to a case study. Three different soils and seven real accelerograms are considered. Local site response analyses are performed in order to evaluate the incoming free-field motion at different depths and the ground motion amplifications. A numerical model, accounting for the pile-soil-pile interaction and for material and radiation damping, is used to evaluate the impedance matrix and the foundation input motion. The domain decomposition technique is adopted to perform time-domain seismic analyses introducing Lumped Parameter Models to take into account the impedance of the soil-structure system. Applications show that the rocking phenomena affect the behaviour of the structure by changing the base shear distribution within the wall and the frame and by increasing the structural displacements

  9. Structures in the Universe by Exact Methods: Formation, Evolution, Interactions

    Science.gov (United States)

    Bolejko, Krzysztof; Krasiński, Andrzej; Hellaby, Charles; Célérier, Marie-Noëlle

    2009-10-01

    As the structures in our Universe are mapped out on ever larger scales, and with increasing detail, the use of inhomogeneous models is becoming an essential tool for analyzing and understanding them. This book reviews a number of important developments in the application of inhomogeneous solutions of Einstein's field equations to cosmology. It shows how inhomogeneous models can be employed to study the evolution of structures such as galaxy clusters and galaxies with central black holes, and to account for cosmological observations like supernovae dimming, the cosmic microwave background, baryon acoustic oscillations or the dependence of the Hubble parameter on redshift within classical general relativity. Whatever 'dark matter' and 'dark energy' turn out to be, inhomogeneities exist on many scales and need to be investigated with all appropriate methods. This book is of great value to all astrophysicists and researchers working in cosmology, from graduate students to academic researchers. - Presents inhomogeneous cosmological models, allowing readers to familiarise themselves with basic properties of these models - Shows how inhomogeneous models can be used to analyse cosmological observations such as supernovae, cosmic microwave background, and baryon acoustic oscillations - Reviews important developments in the application of inhomogeneous solutions of Einstein's field equations to cosmology

  10. Generation of Earthquake Ground Motion Considering Local Site Effects and Soil-Structure Interaction Analysis of Ancient Structures

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Jae Kwan; Lee, J. S.; Yang, T. S.; Cho, J. R.; R, H. [Korea Atomic Energy Research Institute, Taejon (Korea, Republic of)

    1997-09-01

    In order to establish a correct correlation between them, mechanical characteristics of the ancient structures need to be investigated. Since sedimentary basins are preferred dwelling sites in ancient times, it is necessary to perform SSI analysis to derive correct correlation between the damage and ground motion intensity. Contents of Project are as follows: (1) Generation of stochastic earthquake ground motion considering source mechanism and site effects. (2) Analysis of seismic response of sedimentary basin. (3) Soil-structure interaction analysis of ancient structures (4) Investigation of dynamic response characteristics of ancient structure considering soil-structure interaction effects. A procedure is presented for generation of stochastic earthquake ground motion considering source mechanism and site effects. The simulation method proposed by Boore is used to generate the outcropping rock motion. The free field motion at the soil site is obtained by a convolution analysis. And for the study of wood structures, a nonlinear SDOF model is developed. The effects of soil-structure interaction on the behavior of the wood structures are found to be very minor. But the response can be significantly affected due to the intensity and frequency contents of the input motion. 13 refs., 6 tabs., 31 figs. (author)

  11. Seismic Analysis of Intake Towers Considering Multiple-Support Excitation and Soil-Structure Interaction Effects

    National Research Council Canada - National Science Library

    Vidot, Aidcer

    2004-01-01

    .... The other effect examined is the soil-structure interaction. First, a direct approach based on a finite element model of the tower, bridge, and dam with the earthquake motion applied at the bedrock is used...

  12. Soil-structure interaction studies for understanding the behavior of integral abutment bridges.

    Science.gov (United States)

    2012-03-01

    Integral Abutment Bridges (IAB) are bridges without any joints within the bridge deck or between the : superstructure and the abutments. An IAB provides many advantages during construction and maintenance of : a bridge. Soil-structure interactions at...

  13. Role of radiation damping in the impedance function approach to soil-structure interaction analysis

    International Nuclear Information System (INIS)

    1980-05-01

    This report was prepared at the request of the Lawrence Livermore Laboratory (LLL) to provide background information for analyzing soil-structure interaction by the frequency-independent impedance function approach. LLL is conducting such analyses as part of its seismic review of selected operating plants under the Systematic Evaluation Program for the US Nuclear Regulatory Commission. The analytical background and basic assumptionsof the impedance function theory are briefly reviewed, and the role of radiation damping in soil-structure interaction analysis is discussed. The validity of modeling soil-structure interaction by using frequency-independent functions is evaluated based on data from several field tests. Finally, the recommended procedures for performing soil-structure interaction analyses are discussed with emphasis on the modal superposition method

  14. An Automated Fluid-Structural Interaction Analysis of a Large Segmented Solid Rocket Motor

    National Research Council Canada - National Science Library

    Rex, Brian

    2003-01-01

    .... The fluid-structural interaction (FSI) analysis of the ETM-3 motor used PYTHON, a powerful programming language, and FEM BUILDER, a pre- and post processor developed by ATK Thiokol Propulsion under contract to the AFRL, to automatically...

  15. Modeling the Effect of Fluid-Structure Interaction on the Impact Dynamics of Pressurized Tank Cars

    Science.gov (United States)

    2009-11-13

    This paper presents a computational framework that : analyzes the effect of fluid-structure interaction (FSI) on the : impact dynamics of pressurized commodity tank cars using the : nonlinear dynamic finite element code ABAQUS/Explicit. : There exist...

  16. Mechanical stresses in carotid plaques using MRI-based fluid-structure interaction models

    DEFF Research Database (Denmark)

    Kock, Samuel A; Nygaard, Jens Vinge; Eldrup, Nikolaj

    2008-01-01

    fluid-structure interaction (FSI) simulations of carotid atherosclerotic plaques were performed facilitating in-vivo estimation of longitudinal internal fibrous cap stresses. The FSI simulation combined finite element analysis (FEA) with computational fluid dynamics (CFD) simulations of blood...

  17. Multiple magnetic interactions in A-site-ordered perovskite-structure oxides.

    Science.gov (United States)

    Shimakawa, Yuichi; Mizumaki, Masaichiro

    2014-11-26

    Multiple magnetic interactions in A-site-ordered perovskite-structure oxides AA'3B2B'2O12 with A'-site Cu and B-site Fe ions are highlighted here. Several new compounds with this structure type were obtained by high-pressure synthesis and have been given unusual magnetic properties due to multiple interactions of Cu and Fe ions (A'-A', A'-B, A'-B', B-B, B-B', and B'-B' interactions). The magnetic interaction is discussed here in light of the results of magnetic structure analysis with neutron powder diffraction data and x-ray magnetic circular dichroism spectra obtained in x-ray absorption experiments. The characteristic structural framework with ordered cation arrangements and the variation in the oxidation state of the ions at the A' and B sites are shown to play roles crucial for the diverse and intriguing physical properties of these new compounds.

  18. Interaction between structurally different heteroexopolysaccharides and β-lactoglobulin studied by solution scattering and analytical ultracentrifugation

    DEFF Research Database (Denmark)

    Khan, Sanaullah; Birch, Johnny; Van Calsteren, Marie-Rose

    2018-01-01

    Despite a very large number of bacterial exopolysaccharides have been reported, detailed knowledge on their molecular structures and associative interactions with proteins is lacking. Small-angle X-ray scattering, dynamic light scattering and analytical ultracentrifugation (AUC) were used...

  19. Reduction of Flight Control System/Structural Mode Interaction, Phase I

    Data.gov (United States)

    National Aeronautics and Space Administration — A novel approach is proposed for reducing the degree of interaction of a high gain flight control system with the airframe structural vibration modes, representing a...

  20. Making the Bend: DNA Tertiary Structure and Protein-DNA Interactions

    OpenAIRE

    Sabrina Harteis; Sabine Schneider

    2014-01-01

    DNA structure functions as an overlapping code to the DNA sequence. Rapid progress in understanding the role of DNA structure in gene regulation, DNA damage recognition and genome stability has been made. The three dimensional structure of both proteins and DNA plays a crucial role for their specific interaction, and proteins can recognise the chemical signature of DNA sequence (“base readout”) as well as the intrinsic DNA structure (“shape recognition”). These recognition mechanisms do not e...

  1. Advanced Seismic Fragility Modeling using Nonlinear Soil-Structure Interaction Analysis

    Energy Technology Data Exchange (ETDEWEB)

    Bolisetti, Chandu [Idaho National Lab. (INL), Idaho Falls, ID (United States); Coleman, Justin [Idaho National Lab. (INL), Idaho Falls, ID (United States); Talaat, Mohamed [Simpson-Gupertz & Heger, Waltham, MA (United States); Hashimoto, Philip [Simpson-Gupertz & Heger, Waltham, MA (United States)

    2015-09-01

    The goal of this effort is to compare the seismic fragilities of a nuclear power plant system obtained by a traditional seismic probabilistic risk assessment (SPRA) and an advanced SPRA that utilizes Nonlinear Soil-Structure Interaction (NLSSI) analysis. Soil-structure interaction (SSI) response analysis for a traditional SPRA involves the linear analysis, which ignores geometric nonlinearities (i.e., soil and structure are glued together and the soil material undergoes tension when the structure uplifts). The NLSSI analysis will consider geometric nonlinearities.

  2. Structure and interaction among protein and nanoparticle mixture in solution: Effect of temperature

    Science.gov (United States)

    Kundu, Sarathi; Das, Kaushik; Mehan, S.; Aswal, V. K.; Kohlbrecher, Joachim

    2015-11-01

    Structure and interaction among globular protein bovine serum albumin (BSA) and silica nanoparticle mixtures in solutions have been studied using small angle neutron scattering technique by varying the solution temperature. Our study shows that in absence of nanoparticles and up to 70 °C, an intermediate range repulsive and one long range attractive interaction potential between the proteins exist. Above that temperature, fractal structure forms. In presence of nanoparticles, fractal structures form even at room temperature by both the protein and nanoparticles. Fractal dimension increases with the increase of BSA concentration and solution temperature, and this temperature induced structural transition is irreversible.

  3. Tuning gain and bandwidth of traveling wave tubes using metamaterial beam-wave interaction structures

    International Nuclear Information System (INIS)

    Lipton, Robert; Polizzi, Anthony

    2014-01-01

    We employ metamaterial beam-wave interaction structures for tuning the gain and bandwidth of short traveling wave tubes. The interaction structures are made from metal rings of uniform cross section, which are periodically deployed along the length of the traveling wave tube. The aspect ratio of the ring cross sections is adjusted to control both gain and bandwidth. The frequency of operation is controlled by the filling fraction of the ring cross section with respect to the size of the period cell.

  4. Visualization of hierarchically structured information for human-computer interaction

    Energy Technology Data Exchange (ETDEWEB)

    Cheon, Suh Hyun; Lee, J. K.; Choi, I. K.; Kye, S. C.; Lee, N. K. [Dongguk University, Seoul (Korea)

    2001-11-01

    Visualization techniques can be used to support operator's information navigation tasks on the system especially consisting of an enormous volume of information, such as operating information display system and computerized operating procedure system in advanced control room of nuclear power plants. By offering an easy understanding environment of hierarchically structured information, these techniques can reduce the operator's supplementary navigation task load. As a result of that, operators can pay more attention on the primary tasks and ultimately improve the cognitive task performance. In this report, an interface was designed and implemented using hyperbolic visualization technique, which is expected to be applied as a means of optimizing operator's information navigation tasks. 15 refs., 19 figs., 32 tabs. (Author)

  5. Interaction of N-vortex structures in a continuum, including atmosphere, hydrosphere and plasma

    Science.gov (United States)

    Belashov, Vasily Yu.

    2017-10-01

    The results of analysis and numerical simulation of evolution and interaction of the N-vortex structures of various configuration and different vorticities in the continuum including atmosphere, hydrosphere and plasma are presented. It is found that in dependence on initial conditions the regimes of weak interaction with quasi-stationary evolution and active interaction with the "phase intermixing", when the evolution can lead to formation of complex forms of vorticity regions, are realized in the N-vortex systems. For the 2-vortex interaction the generalized critical parameter determining qualitative character of interaction of vortices is introduced. It is shown that for given initial conditions its value divides modes of active interaction and quasi-stationary evolution. The results of simulation of evolution and interaction of the two-dimensional and three-dimensional vortex structures, including such phenomena as dynamics of the atmospheric synoptic vortices of cyclonic types and tornado, hydrodynamic 4-vortex interaction and also interaction in the systems of a type of "hydrodynamic vortex - dust particles" are presented. The applications of undertaken approach to the problems of such plasma systems as streams of charged particles in a uniform magnetic field B and plasma clouds in the ionosphere are considered. It is shown that the results obtained have obvious applications in studies of the dynamics of the vortex structures dynamics in atmosphere, hydrosphere and plasma.

  6. The Theoretical Study of the Beams Supported on a Straining Environment as an Interaction Problem Soil - Structure - Infrastructure Interaction

    Directory of Open Access Journals (Sweden)

    Ana-Raluca Chiriac

    2006-01-01

    Full Text Available Between structure, infrastructure (foundation and soil there is an effective interaction, which has to be taken into account as correctly as possible every time we do the calculation. This effective interaction can be analysed in a global form, considering on one hand the entire building, and on the other hand the soil -- establishment surface, or in an analytical form: we consider first the soil -- infrastructure (foundation interaction and then the structure -- infrastructure one. Without considering the interaction, we cannot make neither the calculation (for the soil according to the limiting deformation state which has to be compatible with the structure’s resistance system, nor calculation for the limiting resistance state, because the correct distribution of efforts along the contact surface between the soil and the structure is unknown, so we cannot determine the zones of plastical equilibrium in the soil massive and the conditions of limited equilibrium. Also, without considering the infrastructure, we cannot correctly calculate the efforts and the deformations which may occur in all resistance elements of the building. Therefore, we cannot talk about limiting state calculation without considering the interaction between the soil and the structure itself. The problem of interaction between building, on one hand and soil foundation, on the other hand, is not approached very much in the specialized literature, because of the big difficulties raised by summarizing all the factors that describe the structure and the environment, which would be more accessible to a practical calculation. A lot of buildings or elements of buildings standing on the soil or on another environment with finite rigidity can be taken into account as beams supported on a straining environment, (continuous foundations, resistance walls, longitudinal and transversal membranes of civil and industrial buildings, hydrotechnic works. Therefore, in the present paper we

  7. Structure of the frequency-interacting RNA helicase: a protein interaction hub for the circadian clock

    Energy Technology Data Exchange (ETDEWEB)

    Conrad, Karen S.; Hurley, Jennifer M.; Widom, Joanne; Ringelberg, Carol S.; Loros, Jennifer J.; Dunlap, Jay C.; Crane, Brian R.

    2016-06-23

    In the Neurospora crassa circadian clock, a protein complex of frequency (FRQ), casein kinase 1a (CK1a), and the FRQ-interacting RNA Helicase (FRH) rhythmically represses gene expression by the white-collar complex (WCC). FRH crystal structures in several conformations and bound to ADP/RNA reveal differences between FRH and the yeast homolog Mtr4 that clarify the distinct role of FRH in the clock. The FRQ-interacting region at the FRH N-terminus has variable structure in the absence of FRQ. A known mutation that disrupts circadian rhythms (R806H) resides in a positively charged surface of the KOW domain, far removed from the helicase core. Here, we show that changes to other similarly located residues modulate interactions with the WCC and FRQ. A V142G substitution near the N-terminus also alters FRQ and WCC binding to FRH, but produces an unusual short clock period. Finally, these data support the assertion that FRH helicase activity does not play an essential role in the clock, but rather FRH acts to mediate contacts among FRQ, CK1a and the WCC through interactions involving its N-terminus and KOW module.

  8. Physical modeling of seismic soil-structure interaction of embedded structures

    Science.gov (United States)

    Turan, Alper

    This thesis investigates seismic soil-structure interaction of buildings with embedded basement stories founded in clayey sons. The thesis is divided into three sections comprising: (i) the development and characterization of two model clays; (ii) design, fabrication, and commissioning of a laminar soil container for use on a small shake table and (iii) experimental and analytical investigations of seismic SSI. The results presented in this thesis provide new insight into seismic SSI of partially embedded buildings and should assist researchers who wish to perform seismic scaled model tests using small capacity shaking tables. First, the thesis describes a laboratory study that was performed to characterize a synthetic clay called glyben. Glyben consists of bentonite mixed with glycerin. The laboratory results show that both the dynamic shear modulus and damping ratio of glyben vary with shear strain similar to that seen in natural clays. However, the damping ratio of glyben is significantly higher than natural clays. In addition, it is shown that the dynamic properties of glyben are strongly influenced by thixotrophy and temperature, and that glyben exhibits time-dependent volumetric compression alter the application of isotropic consolidation pressure, which can be interpreted using consolidation theory. To conclude, a modular neural network (MNN) is developed, trained and tested using experimental data in order to predict the influence of various factors on the dynamic properties of glyben. It is shown that the MNN is able to adequately predict the dynamic properties of glyben. Next, a new synthetic clay called modified glyben is developed and its dynamic properties are characterized using a combination of bender element, cyclic triaxial and resonant column tests. This study shows that the dynamic properties of modified glyben are strongly affected by the pore fluid viscosity, which can be varied by altering the ratio of glycerin-to-water in the pore fluid. By

  9. Assembly of Reconfigurable Colloidal Structures by Multidirectional Field-Induced Interactions.

    Science.gov (United States)

    Bharti, Bhuvnesh; Velev, Orlin D

    2015-07-28

    Field-directed colloidal assembly has shown remarkable recent progress in increasing the complexity, degree of control, and multiscale organization of the structures. This has largely been achieved by using particles of complex shapes and polarizabilites (Janus, patchy, shaped, and faceted). We review the fundamentals of the interactions leading to the directed assembly of such structures, the ways to simulate the dynamics of the process, and the effect of particle size, shape, and properties on the type of structure obtained. We discuss how directional polarization interactions induced by external electric and magnetic fields can be used to assemble complex particles or particle mixtures into lattices of tailored structure. Examples of such systems include isotropic and anisotropic shaped particles with surface patches, which form networks and crystals of unusual symmetry by dipolar, quadrupolar, and multipolar interactions in external fields. The emerging trends in making reconfigurable and dynamic structures are discussed.

  10. Uncertainty in soil-structure interaction analysis arising from differences in analytical techniques

    International Nuclear Information System (INIS)

    Maslenikov, O.R.; Chen, J.C.; Johnson, J.J.

    1982-07-01

    This study addresses uncertainties arising from variations in different modeling approaches to soil-structure interaction of massive structures at a nuclear power plant. To perform a comprehensive systems analysis, it is necessary to quantify, for each phase of the traditional analysis procedure, both the realistic seismic response and the uncertainties associated with them. In this study two linear soil-structure interaction techniques were used to analyze the Zion, Illinois nuclear power plant: a direct method using the FLUSH computer program and a substructure approach using the CLASSI family of computer programs. In-structure response from two earthquakes, one real and one synthetic, was compared. Structure configurations from relatively simple to complicated multi-structure cases were analyzed. The resulting variations help quantify uncertainty in structure response due to analysis procedures

  11. Fluid-structure interaction simulation of floating structures interacting with complex, large-scale ocean waves and atmospheric turbulence with application to floating offshore wind turbines

    Science.gov (United States)

    Calderer, Antoni; Guo, Xin; Shen, Lian; Sotiropoulos, Fotis

    2018-02-01

    We develop a numerical method for simulating coupled interactions of complex floating structures with large-scale ocean waves and atmospheric turbulence. We employ an efficient large-scale model to develop offshore wind and wave environmental conditions, which are then incorporated into a high resolution two-phase flow solver with fluid-structure interaction (FSI). The large-scale wind-wave interaction model is based on a two-fluid dynamically-coupled approach that employs a high-order spectral method for simulating the water motion and a viscous solver with undulatory boundaries for the air motion. The two-phase flow FSI solver is based on the level set method and is capable of simulating the coupled dynamic interaction of arbitrarily complex bodies with airflow and waves. The large-scale wave field solver is coupled with the near-field FSI solver with a one-way coupling approach by feeding into the latter waves via a pressure-forcing method combined with the level set method. We validate the model for both simple wave trains and three-dimensional directional waves and compare the results with experimental and theoretical solutions. Finally, we demonstrate the capabilities of the new computational framework by carrying out large-eddy simulation of a floating offshore wind turbine interacting with realistic ocean wind and waves.

  12. Generalized added masses computation for fluid structure interaction

    International Nuclear Information System (INIS)

    Lazzeri, L.; Cecconi, S.; Scala, M.

    1983-01-01

    The aim of this paper a description of a method to simulate the dynamic effect of a fluid between two structures by means of an added mass and an added stiffness. The method is based on a potential theory which assumes the fluid is inviscid and incompressible (the case of compressibility is discussed); a solution of the corresponding field equation is given as a superposition of elementary conditions (i.e. applicable to elementary boundary conditions). Consequently the pressure and displacements of the fluid on the boundary are given as a function of the series coefficients; the ''work lost'' (i.e. the work done by the pressures on the difference between actual and estimated displacements) is minimized, in this way the expansion coefficients are related to the displacements on the boundaries. Virtual work procedures are then used to compute added masses. The particular case of a free surface (with gravity effects) is discussed, it is shown how the effect can be modelled by means of an added stiffness term. Some examples relative to vibrations in reservoirs are given and discussed. (orig.)

  13. ERP evidence on the interaction between information structure and emotional salience of words.

    Science.gov (United States)

    Wang, Lin; Bastiaansen, Marcel; Yang, Yufang; Hagoort, Peter

    2013-06-01

    Both emotional words and words focused by information structure can capture attention. This study examined the interplay between emotional salience and information structure in modulating attentional resources in the service of integrating emotional words into sentence context. Event-related potentials (ERPs) to affectively negative, neutral, and positive words, which were either focused or nonfocused in question-answer pairs, were evaluated during sentence comprehension. The results revealed an early negative effect (90-200 ms), a P2 effect, as well as an effect in the N400 time window, for both emotional salience and information structure. Moreover, an interaction between emotional salience and information structure occurred within the N400 time window over right posterior electrodes, showing that information structure influences the semantic integration only for neutral words, but not for emotional words. This might reflect the fact that the linguistic salience of emotional words can override the effect of information structure on the integration of words into context. The interaction provides evidence for attention-emotion interactions at a later stage of processing. In addition, the absence of interaction in the early time window suggests that the processing of emotional information is highly automatic and independent of context. The results suggest independent attention capture systems of emotional salience and information structure at the early stage but an interaction between them at a later stage, during the semantic integration of words.

  14. Interactive computer graphics and its role in control system design of large space structures

    Science.gov (United States)

    Reddy, A. S. S. R.

    1985-01-01

    This paper attempts to show the relevance of interactive computer graphics in the design of control systems to maintain attitude and shape of large space structures to accomplish the required mission objectives. The typical phases of control system design, starting from the physical model such as modeling the dynamics, modal analysis, and control system design methodology are reviewed and the need of the interactive computer graphics is demonstrated. Typical constituent parts of large space structures such as free-free beams and free-free plates are used to demonstrate the complexity of the control system design and the effectiveness of the interactive computer graphics.

  15. Fluid-Structure Interaction in Continuum Models of Bacterial Biofilms

    Science.gov (United States)

    Hicks, Jared A.

    Bacterial biofilms are aggregates of cells that adhere to nearly any solid-fluid interface. While many have harmful effects, such as industrial damage and nosocomial infections, certain biofilm species are now generating renewable energy as the fundamental components of Microbial Fuel Cells (MFCs). In an MFC, bacteria consume organic waste and, as they respire, produce free electrons. To do so efficiently, the bacteria must operate at peak metabolic activity, and so require an ample supply of nutrients. But existing MFC systems face several nutrient delivery problems, including clogging and downstream depletion. Ameliorating these problems will require a better understanding of the interplay between structural development and the surrounding fluid flow. In addition to delivering nutrients that affect biofilm growth, the fluid also exerts stresses that cause erosion, detachment, and deformation. These structural changes, in turn, affect the flow and alter the nutrient distribution. To account for this feedback effect, I have developed a continuum model that couples the growth and deformation processes. My model augments an existing growth model with evolution equations derived from Morphoelasticity Theory, by showing that the growth tensor can be directly related to the biofilm velocity potential. This result helps overcome one of the major practical limitations of Morphoelasticity--there is no physical framework for specifying the growth tensor. Through further analysis of the growth tensor, I define the related adjugate and anisotropic growth tensors, which can be more meaningful measures of growth for some models. Under the assumption of small strain, I show that there exists a small correction to the biofilm growth velocity (the accommodation velocity) that represents the effect of the elastic response on the evolution of the biofilm shape. I derive a solvability condition for the accommodation velocity, and show that it leads to a novel evolution equation for

  16. Structural Neuroimaging Genetics Interactions in Alzheimer’s Disease

    Science.gov (United States)

    Moon, Seok Woo; Dinov, Ivo D.; Kim, Jaebum; Zamanyan, Alen; Hobel, Sam; Thompson, Paul M.; Toga, Arthur W.

    2016-01-01

    This article investigates late-onset cognitive impairment using neuroimaging and genetics biomarkers for subjects participating in the Alzheimer’s Disease Neuroimaging Initiative (ADNI). Eight hundred and eight ADNI subjects were identified and divided into three groups: those with Alzheimer’s Disease (AD), those with mild cognitive impairment (MCI), and asymptomatic normal control (NC) group. Two hundred of the subjects qualified for AD diagnosis at the baseline; three hundred and eighty-three had MCI; and 225 were included in the NC group. The structural magnetic resonance imaging (MRI) data were parcellated using BrainParser, and the 80 most important neuroimaging biomarkers were extracted using the Global Shape Analysis (GSA) Pipeline workflow. We obtained 80 SNPs using Plink analysis via the Pipeline environment. In the AD cohort, rs2137962 was significantly associated with changes in left and right hippocampi and bilaterally in parahippocampal gyri, and rs1498853, rs288503, and rs288496 were significantly associated with hippocampi bilaterally, the right parahippocampal gyrus, and left inferior temporal gyrus. In the MCI cohort, rs17028008 and rs17027976 were significantly associated with right caudate and right fusiform gyrus, and rs2075650 (TOMM40) was significantly associated with right caudate, rs1334496 and rs4829605 were significantly associated with right inferior temporal gyrus. In the NC cohort, Chromosome 15 [rs734854 (STOML1), rs11072463 (PML), rs4886844 (PML) and rs1052242 (PML)] was significantly associated with the both hippocampi and both insular cortex and rs4899412 (RGS6) was significantly associated with caudate related biomarkers. We observed significant correlations between the SNPs and the neuroimaging phenotypes in the 808 subjects in terms of neuroimaging genetics. These results illustrate some of the neuroimaging-genetics associations between the AD, MCI and NC cohorts. PMID:26444770

  17. An Automated Fluid-Structural Interaction Analysis of a Large Segmented Solid Rocket Motor

    Science.gov (United States)

    2003-02-10

    fluid-structural interaction (FSI) analysis of the ETM-3 motor used PYTHON , a powerful programming language, and FEM BUILDER, a pre- and post...processor developed by ATK Thiokol Propulsion under contract to the AFRL, to automatically couple the ABAQUS structural solver with FLUENT, the computational

  18. Influence of supramolecular structures in crystals on parallel stacking interactions between pyridine molecules.

    Science.gov (United States)

    Janjić, Goran V; Ninković, Dragan B; Zarić, Snezana D

    2013-08-01

    Parallel stacking interactions between pyridines in crystal structures and the influence of hydrogen bonding and supramolecular structures in crystals on the geometries of interactions were studied by analyzing data from the Cambridge Structural Database (CSD). In the CSD 66 contacts of pyridines have a parallel orientation of molecules and most of these pyridines simultaneously form hydrogen bonds (44 contacts). The geometries of stacked pyridines observed in crystal structures were compared with the geometries obtained by calculations and explained by supramolecular structures in crystals. The results show that the mean perpendicular distance (R) between pyridine rings with (3.48 Å) and without hydrogen bonds (3.62 Å) is larger than that calculated, because of the influence of supramolecular structures in crystals. The pyridines with hydrogen bonds show a pronounced preference for offsets of 1.25-1.75 Å, close to the position of the calculated minimum (1.80 Å). However, stacking interactions of pyridines without hydrogen bonds do not adopt values at or close to that of the calculated offset. This is because stacking interactions of pyridines without hydrogen bonds are less strong, and they are more susceptible to the influence of supramolecular structures in crystals. These results show that hydrogen bonding and supramolecular structures have an important influence on the geometries of stacked pyridines in crystals.

  19. Structural requirements for the interaction between peptide antigens and I-Ed molecules

    DEFF Research Database (Denmark)

    Sette, A; Adorini, L; Appella, E

    1989-01-01

    We have analyzed the structural characteristics of the interaction between I-Ed molecules and their peptide ligands. It was found that unrelated good I-Ed binders share structurally similar "core" regions that were experimentally demonstrated to be crucial for binding to I-Ed molecules. Single am...

  20. Building protein-protein interaction networks for Leishmania species through protein structural information.

    Science.gov (United States)

    Dos Santos Vasconcelos, Crhisllane Rafaele; de Lima Campos, Túlio; Rezende, Antonio Mauro

    2018-03-06

    Systematic analysis of a parasite interactome is a key approach to understand different biological processes. It makes possible to elucidate disease mechanisms, to predict protein functions and to select promising targets for drug development. Currently, several approaches for protein interaction prediction for non-model species incorporate only small fractions of the entire proteomes and their interactions. Based on this perspective, this study presents an integration of computational methodologies, protein network predictions and comparative analysis of the protozoan species Leishmania braziliensis and Leishmania infantum. These parasites cause Leishmaniasis, a worldwide distributed and neglected disease, with limited treatment options using currently available drugs. The predicted interactions were obtained from a meta-approach, applying rigid body docking tests and template-based docking on protein structures predicted by different comparative modeling techniques. In addition, we trained a machine-learning algorithm (Gradient Boosting) using docking information performed on a curated set of positive and negative protein interaction data. Our final model obtained an AUC = 0.88, with recall = 0.69, specificity = 0.88 and precision = 0.83. Using this approach, it was possible to confidently predict 681 protein structures and 6198 protein interactions for L. braziliensis, and 708 protein structures and 7391 protein interactions for L. infantum. The predicted networks were integrated to protein interaction data already available, analyzed using several topological features and used to classify proteins as essential for network stability. The present study allowed to demonstrate the importance of integrating different methodologies of interaction prediction to increase the coverage of the protein interaction of the studied protocols, besides it made available protein structures and interactions not previously reported.

  1. Structure formation in bis(terpyridine) derivative adlayers: molecule-substrate versus molecule-molecule interactions.

    Science.gov (United States)

    Hoster, Harry E; Roos, Matthias; Breitruck, Achim; Meier, Christoph; Tonigold, Katrin; Waldmann, Thomas; Ziener, Ulrich; Landfester, Katharina; Behm, R Jürgen

    2007-11-06

    The influence of the substrate and the deposition conditions-vapor deposition versus deposition from solution-on the structures formed upon self-assembly of deposited bis(terpyridine) derivative (2,4'-BTP) monolayers on different hexagonal substrates, including highly oriented pyrolytic graphite (HOPG), Au(111), and (111)-oriented Ag thin films, was investigated by high-resolution scanning tunneling microscopy and by model calculations of the intermolecular energies and the lateral corrugation of the substrate-adsorbate interaction. Similar quasi-quadratic network structures with almost the same lattice constants obtained on all substrates are essentially identical to the optimum configuration expected from an optimization of the adlayer structure with C-H...N-type bridging bonds as a structure-determining factor, which underlines a key role of the intermolecular interactions in adlayer order. Slight distortions from the optimum values to form commensurate adlayer structures on the metal substrates and the preferential orientation of the adlayer with respect to the substrate are attributed to the substrate-adsorbate interactions, specifically, the lateral corrugation in the substrate-adsorbate interaction upon lateral displacement and rotation of the adsorbed BTP molecules. The fact that similar adlayer structures are obtained on HOPG under ultrahigh vacuum conditions (solid|gas interface) and on HOPG in trichlorobenzene (solid|liquid interface) indicates that the intermolecular interactions are not severely affected by the solvent.

  2. Energies and physicochemical properties of cation-π interactions in biological structures.

    Science.gov (United States)

    Du, Qi-Shi; Meng, Jian-Zong; Liao, Si-Ming; Huang, Ri-Bo

    2012-04-01

    The cation-π interactions occur frequently within or between proteins due to six (Phe, Tyr, Trp, Arg, Lys, and His) of the twenty natural amino acids potentially interacting with metallic cations via these interactions. In this study, quantum chemical calculations and molecular orbital (MO) theory are used to study the energies and properties of cation-π interactions in biological structures. The cation-π interactions of H⁺ and Li⁺ are similar to hydrogen bonds and lithium bonds, respectively, in which the small, naked cations H⁺ and Li⁺ are buried deep within the π-electron density of aromatic molecules, forming stable cation-π bonds that are much stronger than the cation-π interactions of other alkali metal cations. The cation-π interactions of metallic cations with atomic masses greater than that of Li⁺ arise mainly from the coordinate bond comprising empty valence atomic orbitals (AOs) of metallic cations and π-MOs of aromatic molecules, though electrostatic interactions may also contribute to the cation-π interaction. The binding strength of cation-π interactions is determined by the charge and types of AOs in the metallic cations. Cation-π interaction energies are distance- and orientation-dependent; energies decrease with the distance (r) and the orientation angle (θ). In solution, the cation-π energies decrease with the increase of the dielectric constant (ɛ) of the solvent; however, solvation has less influence on the H⁺-π and H₃O⁺-π interactions than on interactions with other cations. The conclusions from this study provide useful theoretical insights into the nature of cation-π interactions and may contribute to the development of better force field parameters for describing the molecular dynamics of cation-π interactions within and between proteins. Copyright © 2011 Elsevier Inc. All rights reserved.

  3. Stiffness and Damping related to steady state soil-structure Interaction of monopiles

    DEFF Research Database (Denmark)

    Bayat, Mehdi

    The present thesis concerns soil–structure interaction affecting the dynamic structural response of offshore wind turbines with focus on soil stiffness and seepage damping due to pore water flow generated by cyclic motion of a monopile. The thesis aims to improve modelling of the dynamic...... and dashpots. An appropriate model based on considering the effect of dynamic behaviour of soil–structure interaction has been explored. In this regard, the coupled equations for porous media have been employed in order to account for soil deformation as well as pore pressure. The effects of drained versus...... undrained behaviour of the soil and the impact of this behaviour on the stiffness and damping related to soil–structure interaction at different load frequencies have been illustrated. Based on the poroelastic and Kelvin models, more realistic dynamic properties have been presented by considering the effect...

  4. Boundary element method in dynamic interaction of structures with multilayers media

    International Nuclear Information System (INIS)

    Mihalache, N.; Poterasu, V.F.

    1993-01-01

    The paper presents the problems of dynamic interaction between the multilayers media and structure by means of B.E.M., using Green's functions. The structure considered by the authors as a particular problem concerns a reinforced concrete shear wall and soil foundation of three layers having different thickness and mechanical characteristics. The authors will present comparatively the stresses and the displacements in static and dynamic regime interaction response of the structure. Theoretical part of the paper presents: Green's functions for the multilayers media in dynamic regime, stiffness matrices, stresses and displacements in the multilayers media exprimed by means of the Green's functions induced by the shear and horizontal forces, computer program, consideration for dynamic, structure-foundation-multilayers soil foundation interaction. (author)

  5. Development of soil-structure interaction analysis method (II) - Volume 1

    International Nuclear Information System (INIS)

    Chang, S. P.; Ko, H. M.; Park, H. K. and others

    1994-02-01

    This project includes following six items : free field analysis for the determination of site input motions, impedance analysis which simplifies the effects of soil-structure interaction by using lumped parameters, soil-structure interaction analysis including the material nonlinearity of soil depending on the level of strains, strong geometric nonlinearity due to the uplifting of the base, seismic analysis of underground structure such as varied pipes, seismic analysis of liquid storage tanks. Each item contains following contents respectively : state-of-the-art review on each item and data base construction on the past researches, theoretical review on the technology of soil-structure interaction analysis, proposing preferable technology and estimating the domestic applicability, proposing guidelines for evaluation of safety and analysis scheme

  6. Seismic design technology for breeder reactor structures. Volume 2. Special topics in soil/structure interaction analyses

    International Nuclear Information System (INIS)

    Reddy, D.P.

    1983-04-01

    This volume is divided into six chapters: definition of seismic input ground motion, review of state-of-the-art procedures, analysis guidelines, rock/structure interaction analysis example, comparison of two- and three-dimensional analyses, and comparison of analyses using FLUSH and TRI/SAC Codes

  7. Pounding effects during an earthquake, with and without consideration of soil‑structure interaction

    Directory of Open Access Journals (Sweden)

    Daniela DOBRE

    2015-07-01

    Full Text Available The pounding between adjacent buildings can cause both architectural and structural damages. The paper presents some aspects related to the Vrancea seismic motions pattern, a review of observed damages after a strong earthquake due to pounding of buildings in Romania, a few causes of pounding, an analytical and numerical modeling study. For the behavior of buildings under structural pounding, an analysis with and without consideration of soil-structure interaction is done.

  8. Modifications in interaction and structure of silica nanoparticle-BSA protein system in aqueous electrolyte solution

    Science.gov (United States)

    Yadav, Indresh; Aswal, V. K.; Kohlbrecher, J.

    2015-06-01

    SANS measurements have been carried out to examine the modifications in interaction and structure of anionic silica nanoparticle with anionic BSA protein in presence of an electrolyte. The phase behaviour of anionic silica nanoparticle and anionic BSA protein is governed by the protein induced depletion interaction between nanoparticles. Both nanoparticle and protein coexist individually at low protein concentrations as electrostatic repulsion dominates over the depletion interaction. However, depletion induced fractal aggregates of nanoparticles are formed at higher protein concentrations. These aggregates can be formed at much smaller protein concentration in presence of an electrolyte. We show that both the electrostatic (decrease) and depletion interaction (increase) are modified with an electrolyte. The range of the depletion interaction is found to be significantly larger than the electrostatic interaction.

  9. Soil-structure interaction analysis by finite element methods state-of-the-art

    International Nuclear Information System (INIS)

    Seed, H.B.; Lysmer, J.

    1977-01-01

    Analyses of soil-structure interaction effects during earthquakes for nuclear power plant structures are usually made by one of two methods - either by means of an idealized complete interaction analysis involving consideration of a compatible variation of motions in the structure and the adjacent soil, or by means of an inertial interaction analysis in which the motions in the adjacent soil are assumed to be the same at all points above the foundation depth. For surface structures, the distribution of free-field motions with depth in the underlying soils has no influence on the structural response and thus, provided the analyses are made in accordance with good practice, good results may be obtained by either method of approach. For embedded structures, however, consideration of the variation of motions with depth is essential if adequate evaluations of soil and structural response are to be obtained without undue conservatism. The finite element analysis procedure is particularly well suited for evaluating the response of embedded structures since it can readily provide consideration of the variation of soil characteristics with depth, the different non-linear deformation and energy absorbing capacities of the various soil strata, the variation of motions with depth in accordance with the general principles of engineering mechanics, the three-dimensional nature of the problem and the effects of adjacent structures on each other

  10. Beyond co-localization: inferring spatial interactions between sub-cellular structures from microscopy images

    Directory of Open Access Journals (Sweden)

    Paul Grégory

    2010-07-01

    Full Text Available Abstract Background Sub-cellular structures interact in numerous direct and indirect ways in order to fulfill cellular functions. While direct molecular interactions crucially depend on spatial proximity, other interactions typically result in spatial correlations between the interacting structures. Such correlations are the target of microscopy-based co-localization analysis, which can provide hints of potential interactions. Two complementary approaches to co-localization analysis can be distinguished: intensity correlation methods capitalize on pattern discovery, whereas object-based methods emphasize detection power. Results We first reinvestigate the classical co-localization measure in the context of spatial point pattern analysis. This allows us to unravel the set of implicit assumptions inherent to this measure and to identify potential confounding factors commonly ignored. We generalize object-based co-localization analysis to a statistical framework involving spatial point processes. In this framework, interactions are understood as position co-dependencies in the observed localization patterns. The framework is based on a model of effective pairwise interaction potentials and the specification of a null hypothesis for the expected pattern in the absence of interaction. Inferred interaction potentials thus reflect all significant effects that are not explained by the null hypothesis. Our model enables the use of a wealth of well-known statistical methods for analyzing experimental data, as demonstrated on synthetic data and in a case study considering virus entry into live cells. We show that the classical co-localization measure typically under-exploits the information contained in our data. Conclusions We establish a connection between co-localization and spatial interaction of sub-cellular structures by formulating the object-based interaction analysis problem in a spatial statistics framework based on nearest-neighbor distance

  11. Numerical modelling of ground vibration caused by elevated high-speed railway lines considering structure-soil-structure interaction

    DEFF Research Database (Denmark)

    Bucinskas, Paulius; Andersen, Lars Vabbersgaard; Persson, Kent

    2016-01-01

    densely populated urban areas with the collateral effect of increased noise and vibrations levels. This paper aims to quantify the vibrations levels in the area surrounding an elevated railway line built as a multi-span bridge structure. The proposed model employs finite-element analysis to model......-space. The paper analyses the effects of structure-soil-structure interaction on the dynamic behaviour of the surrounding soil surface. The effects of different soil stratification and material properties as well as different train speeds are assessed. Finally, the drawbacks of simplifying the numerical model...

  12. A homogenization method for the analysis of a coupled fluid-structure interaction problem with inner solid structure

    International Nuclear Information System (INIS)

    Sigrist, Jean-Francois; Laine, Christian; Broc, Daniel

    2006-01-01

    The present paper exposes a homogenization method developed in order to perform the seismic analysis of a nuclear reactor with internal structures modelling and taking fluid structure interaction effects into account. The numerical resolution of fluid-structure interactions has made tremendous progress over the past decades and some applications of the various developed techniques in the industrial field can be found in the literature. As builder of nuclear naval propulsion reactors (ground prototype reactor or embarked reactor on submarines), DCN Propulsion has been working with French nuclear committee CEA for several years in order to integrate fluid-structure analysis in the design stage of current projects. In previous papers modal and seismic analyses of a nuclear reactor with fluid-structure interaction effect were exposed. The studies highlighted the importance of fluid- structure coupling phenomena in the industrial case and focussed on added mass and added stiffness effects. The numerical model used in the previous studies did not take into account the presence of internal structures within the pressure vessel. The present study aims at improving the numerical model of the nuclear reactor to take into account the presence of the internal structures. As the internal structures are periodical within the inner and outer structure of the pressure vessel the proposed model is based on the development of a homogenization method: the presence of internal structure and its effect on the fluid-structure physical interaction is taken into account, although they are not geometrically modeled. The basic theory of the proposed homogenization method is recalled, leading to the modification of fluid-structure coupling operator in the finite element model. The physical consistency of the method is proved by an evaluation of the system mass with the various mass operators (structure, fluid and fluid-structure operators). The method is exposed and validated in a 2 D case

  13. Interactions, structure and properties in poly(lactic acid/thermoplastic polymer blends

    Directory of Open Access Journals (Sweden)

    B. Imre

    2014-01-01

    Full Text Available Blends were prepared from poly(lactic acid (PLA and three thermoplastics, polystyrene (PS, polycarbonate (PC and poly(methyl methacrylate (PMMA. Rheological and mechanical properties, structure and component interactions were determined by various methods. The results showed that the structure and properties of the blends cover a relatively wide range. All three blends have heterogeneous structure, but the size of the dispersed particles differs by an order of magnitude indicating dissimilar interactions for the corresponding pairs. Properties change accordingly, the blend containing the smallest dispersed particles has the largest tensile strength, while PLA/PS blends with the coarsest structure have the smallest. The latter blends are also very brittle. Component interactions were estimated by four different methods, the determination of the size of the dispersed particles, the calculation of the Flory-Huggins interaction parameter from solvent absorption, from solubility parameters, and by the quantitative evaluation of the composition dependence of tensile strength. All approaches led to the same result indicating strong interaction for the PLA/PMMA pair and weak for PLA and PS. A general correlation was established between interactions and the mechanical properties of the blends.

  14. Network structure beyond food webs: mapping non-trophic and trophic interactions on Chilean rocky shores.

    Science.gov (United States)

    Sonia Kéfi; Berlow, Eric L; Wieters, Evie A; Joppa, Lucas N; Wood, Spencer A; Brose, Ulrich; Navarrete, Sergio A

    2015-01-01

    How multiple types of non-trophic interactions map onto trophic networks in real communities remains largely unknown. We present the first effort, to our knowledge, describing a comprehensive ecological network that includes all known trophic and diverse non-trophic links among >100 coexisting species for the marine rocky intertidal community of the central Chilean coast. Our results suggest that non-trophic interactions exhibit highly nonrandom structures both alone and with respect to food web structure. The occurrence of different types of interactions, relative to all possible links, was well predicted by trophic structure and simple traits of the source and target species. In this community, competition for space and positive interactions related to habitat/refuge provisioning by sessile and/or basal species were by far the most abundant non-trophic interactions. If these patterns are orroborated in other ecosystems, they may suggest potentially important dynamic constraints on the combined architecture of trophic and non-trophic interactions. The nonrandom patterning of non-trophic interactions suggests a path forward for developing a more comprehensive ecological network theory to predict the functioning and resilience of ecological communities.

  15. Protein structure modelling and evaluation based on a 4-distance description of side-chain interactions

    Directory of Open Access Journals (Sweden)

    Inbar Yuval

    2010-07-01

    Full Text Available Abstract Background Accurate evaluation and modelling of residue-residue interactions within and between proteins is a key aspect of computational structure prediction including homology modelling, protein-protein docking, refinement of low-resolution structures, and computational protein design. Results Here we introduce a method for accurate protein structure modelling and evaluation based on a novel 4-distance description of residue-residue interaction geometry. Statistical 4-distance preferences were extracted from high-resolution protein structures and were used as a basis for a knowledge-based potential, called Hunter. We demonstrate that 4-distance description of side chain interactions can be used reliably to discriminate the native structure from a set of decoys. Hunter ranked the native structure as the top one in 217 out of 220 high-resolution decoy sets, in 25 out of 28 "Decoys 'R' Us" decoy sets and in 24 out of 27 high-resolution CASP7/8 decoy sets. The same concept was applied to side chain modelling in protein structures. On a set of very high-resolution protein structures the average RMSD was 1.47 Å for all residues and 0.73 Å for buried residues, which is in the range of attainable accuracy for a model. Finally, we show that Hunter performs as good or better than other top methods in homology modelling based on results from the CASP7 experiment. The supporting web site http://bioinfo.weizmann.ac.il/hunter/ was developed to enable the use of Hunter and for visualization and interactive exploration of 4-distance distributions. Conclusions Our results suggest that Hunter can be used as a tool for evaluation and for accurate modelling of residue-residue interactions in protein structures. The same methodology is applicable to other areas involving high-resolution modelling of biomolecules.

  16. Interaction of high-speed compressible viscous flow and structure by adaptive finite element method

    International Nuclear Information System (INIS)

    Limtrakarn, Wiroj; Dechaumphai, Pramote

    2004-01-01

    Interaction behaviors of high-speed compressible viscous flow and thermal-structural response of structure are presented. The compressible viscous laminar flow behavior based on the Navier-Stokes equations is predicted by using an adaptive cell-centered finite-element method. The energy equation and the quasi-static structural equations for aerodynamically heated structures are solved by applying the Galerkin finite-element method. The finite-element formulation and computational procedure are described. The performance of the combined method is evaluated by solving Mach 4 flow past a flat plate and comparing with the solution from the finite different method. To demonstrate their interaction, the high-speed flow, structural heat transfer, and deformation phenomena are studied by applying the present method to Mach 10 flow past a flat plate

  17. Rigidly framed earth retaining structures thermal soil structure interaction of buildings supporting unbalanced lateral earth pressures

    CERN Document Server

    Aboumoussa, Walid

    2014-01-01

    Structures placed on hillsides often present a number of challenges and a limited number of economical choices for site design. An option sometimes employed is to use the building frame as a retaining element, comprising a Rigidly Framed Earth Retaining Structure (RFERS). The relationship between temperature and earth pressure acting on RFERS, is explored in this monograph through a 4.5 year monitoring program of a heavily instrumented in service structure. The data indicated that the coefficient of earth pressure behind the monitored RFERS had a strong linear correlation with temperature. The study also revealed that thermal cycles, rather than lateral earth pressure, were the cause of failure in many structural elements. The book demonstrates that depending on the relative stiffness of the retained soil mass and that of the structural frame, the developed lateral earth pressure, during thermal expansion, can reach magnitudes several times larger than those determined using classical earth pressure theories....

  18. Soil-structure interaction in nuclear power plants: a comparison of methods

    International Nuclear Information System (INIS)

    Wight, L.H.

    1976-06-01

    We performed an extensive parametric survey to analyze the differences between two methods of calculating soil-structure interaction. One method involves discretizing the soil-structure system and solving for the complete response with the LUSH computer code. The other method solves for the lumped mass structural response with Whitman soil springs. Twelve soil-structure interaction problems are solved by each of these methods. Representative results are presented and discussed. The debate within the nuclear industry in the United States over the relative merits of various methods of calculating soil-structure interaction has intensified over the last three years. The debate is largely the result of the U.S. Nuclear Regulatory Commission's position generally favoring the finite element approach. Certain sectors of the industry claim that this ruling is without technical basis, that it requires unnecessary expense, and that it inhibits the judgment of the analyst. We have addressed each of these points through lumped mass and finite element calculations on a set of twelve soil-structure interaction problems. The results of these calculations indicate some of the consequences of the choice of method

  19. Structural interface parameters are discriminatory in recognising near-native poses of protein-protein interactions.

    Directory of Open Access Journals (Sweden)

    Sony Malhotra

    Full Text Available Interactions at the molecular level in the cellular environment play a very crucial role in maintaining the physiological functioning of the cell. These molecular interactions exist at varied levels viz. protein-protein interactions, protein-nucleic acid interactions or protein-small molecules interactions. Presently in the field, these interactions and their mechanisms mark intensively studied areas. Molecular interactions can also be studied computationally using the approach named as Molecular Docking. Molecular docking employs search algorithms to predict the possible conformations for interacting partners and then calculates interaction energies. However, docking proposes number of solutions as different docked poses and hence offers a serious challenge to identify the native (or near native structures from the pool of these docked poses. Here, we propose a rigorous scoring scheme called DockScore which can be used to rank the docked poses and identify the best docked pose out of many as proposed by docking algorithm employed. The scoring identifies the optimal interactions between the two protein partners utilising various features of the putative interface like area, short contacts, conservation, spatial clustering and the presence of positively charged and hydrophobic residues. DockScore was first trained on a set of 30 protein-protein complexes to determine the weights for different parameters. Subsequently, we tested the scoring scheme on 30 different protein-protein complexes and native or near-native structure were assigned the top rank from a pool of docked poses in 26 of the tested cases. We tested the ability of DockScore to discriminate likely dimer interactions that differ substantially within a homologous family and also demonstrate that DOCKSCORE can distinguish correct pose for all 10 recent CAPRI targets.

  20. Crystal structure of human dynein light chain Dnlc2A: structural insights into the interaction with IC74.

    Science.gov (United States)

    Liu, Jun-Feng; Wang, Zhan-Xin; Wang, Xin-Quan; Tang, Qun; An, Xiao-Min; Gui, Lu-Lu; Liang, Dong-Cai

    2006-10-27

    The human light chain of the motor protein dynein, Dnlc2A, is also a novel TGF-beta-signaling component, which is altered with high frequency in epithelial ovarian cancer. It is an important mediator of dynein and the development of cancer, owing to its ability to bind to the dynein intermediate light chain (DIC) IC74 and to regulate TGF-beta-dependent transcriptional events. Here we report the 2.1-A crystal structure of Dnlc2A using single anomalous diffraction. The proteins form a homodimer in solution and interact mainly through the helix alpha(2), strand beta(3), and the loop following this strand in each protein to generate a 10-stranded beta-sheet core. The surface of the beta-sheet core is mainly positively charged and predicted (by software PPI-Pred) to be the site that interacts with other partners. At the same time, the residues 79-82, 88, and 90 of each molecule formed two holes in the core. Residue 89 of each molecule, which is crucial for the DIC binding function of Dnlc2A, is within the holes. On the basis of these observations, we propose that the homodimer is the structural and functional unit maintained by hydrogen bonding interactions and hydrophobic packing, and that the patch of the surface of the beta-sheet core is the main area of interaction with other partners. Furthermore, the two holes would be the key sites to interact with IC74.

  1. Thermal interaction in crusted melt jets with large-scale structures

    Energy Technology Data Exchange (ETDEWEB)

    Sugiyama, Ken-ichiro; Sotome, Fuminori; Ishikawa, Michio [Hokkaido Univ., Sapporo (Japan). Faculty of Engineering

    1998-01-01

    The objective of the present study is to experimentally observe thermal interaction which would be capable of triggering due to entrainment, or entrapment in crusted melt jets with `large-scale structure`. The present experiment was carried out by dropping molten zinc and molten tin of 100 grams, of which mass was sufficient to generate large-scale structures of melt jets. The experimental results show that the thermal interaction of entrapment type occurs in molten-zinc jets with rare probability, and the thermal interaction of entrainment type occurs in molten tin jets with high probability. The difference of thermal interaction between molten zinc and molten tin may attribute to differences of kinematic viscosity and melting point between them. (author)

  2. Higher-Order Spectral Analysis to Identify Quadratic Nonlinearities in Fluid-Structure Interaction

    Directory of Open Access Journals (Sweden)

    Imran Akhtar

    2018-01-01

    Full Text Available Hydrodynamic forces on a structure are the manifestation of fluid-structure interaction. Since this interaction is nonlinear, these forces consist of various frequencies: fundamental, harmonics, excitation, sum, and difference of these frequencies. To analyze this phenomenon, we perform numerical simulations of the flow past stationary and oscillating cylinders at low Reynolds numbers. We compute the pressure, integrate it over the surface, and obtain the lift and drag coefficients for the two configurations: stationary and transversely oscillating cylinders. Higher-order spectral analysis is performed to investigate the nonlinear interaction between the forces. We confirmed and investigated the quadratic coupling between the lift and drag coefficients and their phase relationship. We identify additional frequencies and their corresponding energy present in the flow field that appear as the manifestation of quadratic nonlinear interaction.

  3. Interaction of the chaperone calreticulin with proteins and peptides of different structural classes

    DEFF Research Database (Denmark)

    Duus, K; Sandhu, N; Jørgensen, C S

    2009-01-01

    The interaction of calreticulin with native and denatured forms and polypeptides in proteolytic digests of proteins representing structural classes of all-alpha-helix (hemoglobin, serum albumin), all-beta-sheet (IgG) and alpha-helix + beta-sheets (lysozyme, ovalbumin) was investigated. The binding...... of calreticulin to denatured proteins was found to depend on conformation and structural class of the protein. No interaction was observed with the native proteins, whereas binding was seen for the denatured proteins, the order of interaction being lysozyme = IgG > ovalbumin >> hemoglobin = serum albumin....... Moreover, the interaction between calreticulin and the heat-denatured proteins depended on the temperature and time used for denaturation and the degree of proteolytic fragmentation. Calreticulin bound well to peptides in proteolytic digests from protease K or chymotrypsin treatment of lysozyme, Ig...

  4. Interaction of negation with tense, modality and information structure in Standard Arabic

    Directory of Open Access Journals (Sweden)

    Nasser Al-Horais

    2013-06-01

    Full Text Available The aim of this paper is to consider the interaction of tense, mood and focus with negation in Standard Arabic. This interaction can be observed via marking the tense and mood of the sentence, or via selecting a particular type of tense, or being associated with Information Structure. Building on this fact, the current paper provides a unified analysis, in which negation in Arabic can be accounted for without a NegP projection.

  5. Effect of soil-foundation-structure interaction on the seismic response of wind turbines

    Directory of Open Access Journals (Sweden)

    Sam Austin

    2017-09-01

    Full Text Available Soil-foundation-structure interaction can affect the seismic response of wind turbines. This paper studies the effects of soil-foundation-structure interaction on the seismic response of 65 kW, 1 MW, and 2 MW horizontal-axis wind turbines with truncated cone steel towers. Four types of foundations with frequency-based design were analyzed, including spread foundation, mono pile, pile group with cap, and anchored spread foundation. Soil is modeled both implicitly (subgrade reaction modulus and explicitly. The finite element model developed using the ANSYS program was first validated using experimental data. Numerical models are then analyzed in both frequency and time domains using the Block Lanczos and generalized HHT-α formulations. Recommendations were given to simplify the soil-foundation-structure interaction analysis of wind turbines subjected to seismic loading.

  6. Sloshing and fluid-structure interaction in a 400-MWe pool-type advanced fast reactor

    International Nuclear Information System (INIS)

    Ma, D.C.; Gvildys, J.; Chang, Y.W.

    1987-01-01

    This paper describes the seismic analysis of a 400-MWe advanced fast reactor under 0.3 g SSE ground excitation. Two types of analyses are performed - the sloshing analysis and the fluid-structure interaction analysis. In the sloshing analysis, the sloshing frequency and wave patterns are calculated. The maximum wave height and the sloshing forces exerted on the submerged components and the primary tank are evaluated. In the fluid-structure interaction analysis, the maximum horizontal acceleration for the reactor core and the relative displacement between the reactor core and UIS are examined. The fluid-coupling phenomena between various components are investigated. Seismic stresses at critical areas are examined. The results obtained from this study are very useful to the design of the advanced reactors. Meanwhile, the computer code FLUSTR-ANL has proved to be a useful analytical tool for assessing the complicated seismic fluid-structure interactions and sloshing in the fast reactor systems. 10 refs., 25 figs

  7. Indirect exchange interaction between magnetic impurities in a gapped graphene structure

    Directory of Open Access Journals (Sweden)

    H. Rezania

    2017-03-01

    Full Text Available We study exchange interaction between two magnetic impurities in doped gapped graphene (the Ruderman-Kittel-Kasuya-Yosida [RKKY] interaction by directly computing Green’s function beyond Dirac approximation. Tight binding model Hamiltonian in the presence of magnetic long range ordering has been applied to describe electron dynamics. RKKY interaction as a function of distance between localized moments has been analyzed. It has been shown that a magnetic ordering along the z-axis mediates two different interactions for spin directions which corresponds to a XXZ model interaction between two magnetic moments. The exchange interaction along arbitrary direction between two magnetic moments, has been obtained using the static spin susceptibilities of gapped graphene structure. The effects of spin polarization on the the dependence of exchange interaction on distance between moments are investigated via calculating correlation function of spin density operators. Our results show the chemical potential impacts the spatial behavior of RKKY interaction. Moreover gap parameter effects on RKKY interaction have been investigated in details.

  8. Prediction of protein-protein interaction sites in sequences and 3D structures by random forests.

    Directory of Open Access Journals (Sweden)

    Mile Sikić

    2009-01-01

    Full Text Available Identifying interaction sites in proteins provides important clues to the function of a protein and is becoming increasingly relevant in topics such as systems biology and drug discovery. Although there are numerous papers on the prediction of interaction sites using information derived from structure, there are only a few case reports on the prediction of interaction residues based solely on protein sequence. Here, a sliding window approach is combined with the Random Forests method to predict protein interaction sites using (i a combination of sequence- and structure-derived parameters and (ii sequence information alone. For sequence-based prediction we achieved a precision of 84% with a 26% recall and an F-measure of 40%. When combined with structural information, the prediction performance increases to a precision of 76% and a recall of 38% with an F-measure of 51%. We also present an attempt to rationalize the sliding window size and demonstrate that a nine-residue window is the most suitable for predictor construction. Finally, we demonstrate the applicability of our prediction methods by modeling the Ras-Raf complex using predicted interaction sites as target binding interfaces. Our results suggest that it is possible to predict protein interaction sites with quite a high accuracy using only sequence information.

  9. Study of parameters important to soil-structure interaction in seismic analyses of nuclear power plants

    International Nuclear Information System (INIS)

    Nelson, T.A.

    1983-12-01

    The development of state-of-the-art techniques for analyzing the effects of soil-structure interaction (SSI) on structures during earthquakes is outlined. Emphasis is placed on methods to account for energy dissipation as a result of both wave propagation away from the structure's foundation and hysteretic soil response. Solution techniques are grouped into two major types: substructure methods, which break the problem into a series of steps; and direct methods, which analyze the soil-structure model in one step. In addition to theoretical and historical development of SSI methodology, case studies are presented illustrating the application of these solution techniques. 94 references

  10. LOADS INTERACTION DOMAINS METHODOLOGY FOR THE DESIGN OF STEEL GREENHOUSE STRUCTURES

    Directory of Open Access Journals (Sweden)

    Sergio Castellano

    2007-03-01

    Full Text Available Aim of this research is to develop a design methodology which correlates main structural design parameters, whose production is characterised by high levels of standardization, such as the height of gutter or the distance between frames, with actions on the greenhouse. The methodology, based on the use of charts and abacus, permits a clear and a direct interpretation of the structural response to design load combinations and allows the design of structural improvements with the aim of the optimization of the ratio benefits (structural strength/costs. The study of structural interaction domains allowed a clear and a direct interpretation of the structural response to design load combinations. The diagrams highlight not only if the structure fulfils the standard requirements but also the safety levels with respect to design load combinations and allow the structural designer how to operate in order to optimize the structural response with standard requirements achieving the best ratio benefits (structural safety/ costs. The methodology was developed basing on criteria assigned by EN13031 on two different kinds of greenhouse structures: an arched greenhouse with a film plastic covering and a duo pitched roof greenhouse cover with rigid plastic membranes. Structural interaction domains for arched greenhouse showed a better capability of the structure to resist to vertical loads then to horizontal one. Moreover, the climatic load distribution on the structure assigned by EN13031 is such that the combination of climatic actions is less dangerous for the structure then their individual application. Whilst, duo pitched roof steel greenhouse interaction domains, showed a better capability of the structure to resist to vertical loads then to horizontal one and that, in any case, the serviceability limit states analysis is more strict then the ULS one. The shape of structural domains highlighted that the combination of actions is more dangerous for the

  11. Thermo-kinetic mechanisms for grain boundary structure multiplicity, thermal instability and defect interactions

    Energy Technology Data Exchange (ETDEWEB)

    Burbery, N.J. [Department of Mechanical Engineering, University of Auckland, Auckland 1010 (New Zealand); Das, R., E-mail: r.das@auckland.ac.nz [Department of Mechanical Engineering, University of Auckland, Auckland 1010 (New Zealand); Ferguson, W.G. [Department of Chemical and Materials Engineering, University of Auckland, Auckland 1010 (New Zealand)

    2016-08-15

    Grain boundaries (GBs) provide a source and/or a sink for crystal defects and store elastic energy due to the non-uniform atomic bonding structure of the GB core. GB structures are thermodynamically driven to transition to the lowest energy configuration possible; however to date there has been little evidence to explain why specific GB structures have a low energy state. Furthermore, there is little quantitative demonstration of the significance of physical and GB structure characteristics on the GB energy, thermal stability, and the effect of temporary local GB structure transformations on defect interactions. This paper evaluates the defect interactions and structure stability of multiple Σ5(310) GB structures in bi-crystals of pure aluminium, and systematically investigates the features at 0 K to characterise multiple metastable structures. Structure stability is evaluated by utilising unstable vacancy defects to initiate GB transformations, and using nudged elastic band simulations to quantify this with the activation energy. The emission of stable vacancy defects from the ‘stable’ and metastable grain boundaries is also evaluated in the same manner. A detailed analysis of dislocation nucleation at the atomistic scale demonstrates that local transformations of GB structure between stable and metastable intermediates can provide a mechanism to accommodate the generation of crystal defects. Kinetic (time-dependent) effects that compete with energetic driving forces for structural transformations of GBs are shown to cause a significant effect on the activation properties that may exceed the influence of GB potential energy. The results demonstrate that GB structural multiplicity can be associated with the generation and absorption of dislocations and vacancies. This paper demonstrates the suitability of atomistic simulations coupled with nudged elastic band simulations to evaluate fundamental thermodynamic properties of pure FCC metals. Overall, this paper

  12. Numerical Analyses of Subsoil-structure Interaction in Original Non-commercial Software based on FEM

    Science.gov (United States)

    Cajka, R.; Vaskova, J.; Vasek, J.

    2018-04-01

    For decades attention has been paid to interaction of foundation structures and subsoil and development of interaction models. Given that analytical solutions of subsoil-structure interaction could be deduced only for some simple shapes of load, analytical solutions are increasingly being replaced by numerical solutions (eg. FEM – Finite element method). Numerical analyses provides greater possibilities for taking into account the real factors involved in the subsoil-structure interaction and was also used in this article. This makes it possible to design the foundation structures more efficiently and still reliably and securely. Currently there are several software that, can deal with the interaction of foundations and subsoil. It has been demonstrated that non-commercial software called MKPINTER (created by Cajka) provides appropriately results close to actual measured values. In MKPINTER software stress-strain analysis of elastic half-space by means of Gauss numerical integration and Jacobean of transformation is done. Input data for numerical analysis were observed by experimental loading test of concrete slab. The loading was performed using unique experimental equipment which was constructed in the area Faculty of Civil Engineering, VŠB-TU Ostrava. The purpose of this paper is to compare resulting deformation of the slab with values observed during experimental loading test.

  13. Photo-physical and structural interactions between viologen phosphorus-based dendrimers and human serum albumin

    Energy Technology Data Exchange (ETDEWEB)

    Ciepluch, Karol, E-mail: ciepluch@biol.uni.lodz.pl [Department of General Biophysics, University of Lodz, 141/143 Pomorska St., 90-236 Lodz (Poland); Katir, Nadia [Laboratoire de Chimie de Coordination du CNRS (LCC), 205 route de Narbonne, F-31077 Toulouse cedex 4 (France); Institute of Nanomaterials and Nanotechnology (INANOTECH)-MAScIR (Moroccan Foundation for Advanced Science, Innovation and Research), ENSET, Avenue de l' Armee Royale, Madinat El Irfane, 10100 Rabat (Morocco); El Kadib, Abdelkrim [Institute of Nanomaterials and Nanotechnology (INANOTECH)-MAScIR (Moroccan Foundation for Advanced Science, Innovation and Research), ENSET, Avenue de l' Armee Royale, Madinat El Irfane, 10100 Rabat (Morocco); Weber, Monika [Department of General Biophysics, University of Lodz, 141/143 Pomorska St., 90-236 Lodz (Poland); Caminade, Anne-Marie [Laboratoire de Chimie de Coordination du CNRS (LCC), 205 route de Narbonne, F-31077 Toulouse cedex 4 (France); Bousmina, Mostapha [Hassan II Academy of Sciences and Technology, Avenue MVI, Km4, 10220 Rabat (Morocco); Pierre Majoral, Jean [Laboratoire de Chimie de Coordination du CNRS (LCC), 205 route de Narbonne, F-31077 Toulouse cedex 4 (France); Hassan II Academy of Sciences and Technology, Avenue MVI, Km4, 10220 Rabat (Morocco); Bryszewska, Maria [Department of General Biophysics, University of Lodz, 141/143 Pomorska St., 90-236 Lodz (Poland)

    2012-06-15

    This work deals with photo-physical and structural interactions between viologen phosphorus dendrimers and human serum albumin (HSA). Viologens are derivatives of 4,4 Prime -bipyridinium salts. Aiming to rationalize the parameters governing such interactions eight types of these polycationic dendrimers in which the generation, the number of charges, the nature of the core and of the terminal groups vary from one to another, were designed and used. The influence of viologen-based dendrimers' on human serum albumin has been investigated. The photo-physical interactions of the two systems have been monitored by fluorescence quenching of free L-tryptophan and of HSA tryptophan residue. Additionally, using circular dichroism (CD) the effect of dendrimers on the secondary structure of albumin was measured. The obtained results show that viologen dendrimers interact with human serum albumin quenching its fluorescence either by collisional (dynamic) way or by forming complexes in a ground state (static quenching). In some cases the quenching is accompanied by changes of the secondary structure of HSA. - Highlights: Black-Right-Pointing-Pointer Photo-physical interactions between viologen phosphorus dendrimers and human serum albumin (HSA) were investigated. Black-Right-Pointing-Pointer The viologen dendrimers can quench the fluorescence of tryptophan in HSA. Black-Right-Pointing-Pointer CD spectra to explain the changes in secondary structure of albumin after exposition of dendrimers.

  14. Polymorphism, Intermolecular Interactions, and Spectroscopic Properties in Crystal Structures of Sulfonamides.

    Science.gov (United States)

    Sainz-Díaz, C Ignacio; Francisco-Márquez, Misaela; Soriano-Correa, Catalina

    2018-01-01

    The antibiotics family of sulfonamides has been used worldwide intensively in human therapeutics and farm livestock during decades. Intermolecular interactions of these sulfamides are important to understand their bioactivity and biodegradation. These interactions are also responsible for their supramolecular structures. The intermolecular interactions in the crystal polymorphs of the sulfonamides, sulfamethoxypyridazine, and sulfamethoxydiazine, as models of sulfonamides, have been studied by using quantum mechanical calculations. Different conformations in the sulphonamide molecules have been detected in the crystal polymorphs. Several intermolecular patterns have been studied to understand the molecular packing behavior in these antibiotics. Strong intermolecular hydrogen bonds and π-π interactions are the main driving forces for crystal packing in these sulfonamides. Different stability between polymorphs can explain the experimental behavior of these crystal forms. The calculated infrared spectroscopy frequencies explain the main intermolecular interactions in these crystals. Copyright © 2018 American Pharmacists Association®. Published by Elsevier Inc. All rights reserved.

  15. Molecular equilibrium structures from experimental rotational constants and calculated vibration-rotation interaction constants

    DEFF Research Database (Denmark)

    Pawlowski, F; Jorgensen, P; Olsen, Jeppe

    2002-01-01

    A detailed study is carried out of the accuracy of molecular equilibrium geometries obtained from least-squares fits involving experimental rotational constants B(0) and sums of ab initio vibration-rotation interaction constants alpha(r)(B). The vibration-rotation interaction constants have been...... calculated for 18 single-configuration dominated molecules containing hydrogen and first-row atoms at various standard levels of ab initio theory. Comparisons with the experimental data and tests for the internal consistency of the calculations show that the equilibrium structures generated using Hartree......-Fock vibration-rotation interaction constants have an accuracy similar to that obtained by a direct minimization of the CCSD(T) energy. The most accurate vibration-rotation interaction constants are those calculated at the CCSD(T)/cc-pVQZ level. The equilibrium bond distances determined from these interaction...

  16. A vorticity based approach to handle the fluid-structure interaction problems

    Energy Technology Data Exchange (ETDEWEB)

    Farahbakhsh, Iman; Ghassemi, Hassan [Department of Ocean Engineering, Amirkabir University of Technology, Tehran (Iran, Islamic Republic of); Sabetghadam, Fereidoun, E-mail: i.farahbakhsh@aut.ac.ir [Mechanical and Aerospace Engineering Department, Science and Research Branch, Islamic Azad University (IAU), Tehran (Iran, Islamic Republic of)

    2016-02-15

    A vorticity based approach for the numerical solution of the fluid-structure interaction problems is introduced in which the fluid and structure(s) can be viewed as a continuum. Retrieving the vorticity field and recalculating a solenoidal velocity field, specially at the fluid-structure interface, are the kernel of the proposed algorithm. In the suggested method, a variety of constitutive equations as a function of left Cauchy–Green deformation tensor can be applied for modeling the structure domain. A nonlinear Mooney–Rivlin and Saint Venant–Kirchhoff model are expressed in terms of the left Cauchy–Green deformation tensor and the presented method is able to model the behavior of a visco-hyperelastic structure in the incompressible flow. Some numerical experiments, with considering the neo-Hookean model for structure domain, are executed and the results are validated via the available results from literature. (paper)

  17. Modifications in structure and interaction of nanoparticle-protein-surfactant complexes in electrolyte solution

    Science.gov (United States)

    Mehan, Sumit; Kumar, S.; Aswal, V. K.; Schweins, R.

    2016-05-01

    SANS experiments of three-component system of anionic silica nanoparticles, anionic BSA protein and anionic SDS surfactants have been carried out without and with electrolyte in aqueous solution. In both the cases, the interaction of surfactant with protein results in formation of bead-necklace structure of protein-surfactant complexes in solution. These protein-surfactant complexes interact very differently with nanoparticles in absence and presence of electrolyte. In absence of electrolyte, nanoparticles remain in dispersed phase in solution, whereas with the addition of electrolyte the nanoparticles fractal aggregates are formed. SANS describes the phase behavior to be governed by competition of electrostatic and depletion interactions among the components solution.

  18. The effects of soil-structure interaction modeling techniques on in-structure response spectra

    International Nuclear Information System (INIS)

    Johnson, J.J.; Wesley, D.A.; Almajan, I.T.

    1977-01-01

    The structure considered for this investigation consisted of the reactor containment building (RCB) and prestressed concrete reactor vessel (PCRV) for a HTGR plant. A conventional lumped-mass dynamic model in three dimensions was used in the study. The horizontal and vertical response, which are uncoupled due to the symmetry of the structure, were determined for horizontal and vertical excitation. Five different site conditions ranging from competent rock to a soft soil site were considered. The simplified approach to the overall plant analysis utilized stiffness proportional composite damping with a limited amount of soil damping consistent with US NRC regulatory guidelines. Selected cases were also analyzed assuming a soil damping value approximating the theoretical value. The results from the simplified approach were compared to those determined by rigorously coupling the structure to a frequency independent half-space representation of the soil. Finally, equivalent modal damping ratios were found by matching the frequency response at a point within the coupled soil-structure system determined by solution of the coupled and uncoupled equations of motion. The basis for comparison of the aforementioned techniques was the response spectra at selected locations within the soil-structure system. Each of the five site conditions was analyzed and in-structure response spectra were generated. The response spectra were combined to form a design envelope which encompasses the entire range of site parameters. Both the design envelopes and the site-by-site results were compared

  19. Soil-structure interaction analysis by finite element methods - state-of-the-art

    International Nuclear Information System (INIS)

    Seed, H.B.; Lysmer, J.

    1977-01-01

    Analyses of soil-structure interaction effects during earthquakes for nuclear power plant structures are usually made by one of two methods-either by means of an idealized complete interaction analysis involving consideration of a compatible variation of motion in the structure and the adjacent soil, or by means of an inertial interaction analysis in which the motions in the adjacent soil are assumed to be the same at all points above the foundation depth. For embedded structures, consideration of the variation of motions with depth is essential if adequate evaluations of soil and structural response are to be obtained without undue conservatism. The finite element analysis procedure is particularly well suited for evaluating the response of embedded structures since it can readily provide consideration of the variation of soil characteristics with depth, the different non-linear deformation and energy absorbing capacities of the various soil strata, the variation of motions with depth in accordance with the general principles of engineering mechanics, the three-dimensional nature of the problem and the effects of adjacent structures on each other. (Auth.)

  20. High-order finite difference solution for 3D nonlinear wave-structure interaction

    DEFF Research Database (Denmark)

    Ducrozet, Guillaume; Bingham, Harry B.; Engsig-Karup, Allan Peter

    2010-01-01

    This contribution presents our recent progress on developing an efficient fully-nonlinear potential flow model for simulating 3D wave-wave and wave-structure interaction over arbitrary depths (i.e. in coastal and offshore environment). The model is based on a high-order finite difference scheme...... OceanWave3D presented in [1, 2]. A nonlinear decomposition of the solution into incident and scattered fields is used to increase the efficiency of the wave-structure interaction problem resolution. Application of the method to the diffraction of nonlinear waves around a fixed, bottom mounted circular...

  1. Direct methods of soil-structure interaction analysis for earthquake loadings(II)

    International Nuclear Information System (INIS)

    Yun, Chung Bang; Lee, S. R.; Kim, J. M.; Park, K. L.; Oh, S. B.; Choi, J. S.; Kim, Y. S.

    1994-07-01

    In this study, methods for 3-D soil-structure interaction analysis have been studied. They are 3-D axisymmetric analysis method, 3-D axisymmetric finite element method incorporating infinite elements, and 3-D boundary element methods. The computer code, named as 'KIESSI - PF', has been developed which is based on the 3-D axisymmetric finite element method coupled with infinite element method. It is able to simulate forced vibration test results of a soil-structure interaction system. The Hualien FVT post-correlation analysis before backfill and the blind prediction analysis after backfill have been carried out using the developed computer code 'KIESSI - PF'

  2. Smoothed particle hydrodynamics modelling in continuum mechanics: fluid-structure interaction

    Directory of Open Access Journals (Sweden)

    Groenenboom P. H. L.

    2009-06-01

    Full Text Available Within this study, the implementation of the smoothed particle hydrodynamics (SPH method solving the complex problem of interaction between a quasi-incompressible fluid involving a free surface and an elastic structure is outlined. A brief description of the SPH model for both the quasi-incompressible fluid and the isotropic elastic solid is presented. The interaction between the fluid and the elastic structure is realised through the contact algorithm. The results of numerical computations are confronted with the experimental as well as computational data published in the literature.

  3. Synergistic effect of temperature, protein and salt concentration on structures and interactions among lysozyme proteins

    Science.gov (United States)

    Kundu, Sarathi; Aswal, V. K.; Kohlbrecher, Joachim

    2016-07-01

    Synergistic effect of temperature, protein and salt concentration on structures and interactions among lysozyme proteins in solution has been studied using small angle neutron scattering technique. Scattering study shows that for a particular protein concentration, with increasing temperature, short-range attraction decreases but long-range repulsion becomes system specific. In absence of salt, lower value of attractive interaction is obtained, however, in presence of salt it becomes higher and decreases with increasing temperature. For specific condition, weak long range attraction and intermediate range repulsion exists. At higher temperature (90 °C), fractal structure develops and the corresponding fractal dimension depends upon the experimental conditions.

  4. Genetics-based interactions among plants, pathogens, and herbivores define arthropod community structure.

    Science.gov (United States)

    Busby, Posy E; Lamit, Louis J; Keith, Arthur R; Newcombe, George; Gehring, Catherine A; Whitham, Thomas G; Dirzo, Rodolfo

    2015-07-01

    Plant resistance to pathogens or insect herbivores is common, but its potential for indirectly influencing plant-associated communities is poorly known. Here, we test whether pathogens' indirect effects on arthropod communities and herbivory depend on plant resistance to pathogens and/or herbivores, and address the overarching interacting foundation species hypothesis that genetics-based interactions among a few highly interactive species can structure a much larger community. In a manipulative field experiment using replicated genotypes of two Populus species and their interspecific hybrids, we found that genetic variation in plant resistance to both pathogens and insect herbivores modulated the strength of pathogens' indirect effects on arthropod communities and insect herbivory. First, due in part to the pathogens' differential impacts on leaf biomass among the two Populus species and the hybrids, the pathogen most strongly impacted arthropod community composition, richness, and abundance on the pathogen-susceptible tree species. Second, we found similar patterns comparing pathogen-susceptible and pathogen-resistant genotypes within species. Third, within a plant species, pathogens caused a fivefold greater reduction in herbivory on insect-herbivore-susceptible plant genotypes than on herbivore-resistant genotypes, demonstrating that the pathogen-herbivore interaction is genotype dependent. We conclude that interactions among plants, pathogens, and herbivores can structure multitrophic communities, supporting the interacting foundation species hypothesis. Because these interactions are genetically based, evolutionary changes in genetic resistance could result in ecological changes in associated communities, which may in turn feed back to affect plant fitness.

  5. Post-liquefaction soil-structure interaction for buried structures: Sensitivity analysis studies

    International Nuclear Information System (INIS)

    Pires, J.A.; Ang, H.S.; Katayama, I.; Satoh, M.

    1993-01-01

    The post liquefaction behavior of buried conduits is analyzed and sensitivity analysis is conducted to investigate the damage potential of the forces induced in the buried lifelines following seismically induced liquefaction of the surrounding soil. Various lifeline configurations and loading conditions are considered. The loading conditions considered are: buoyancy forces and permanent ground displacements parallel to the lifeline axis. Pertinent parameters for the soil-lifeline interaction following liquefaction are identified. (author)

  6. Structural transformation of the tandem ubiquitin-interacting motifs in ataxin-3 and their cooperative interactions with ubiquitin chains.

    Directory of Open Access Journals (Sweden)

    Ai-Xin Song

    Full Text Available The ubiquitin-interacting motif (UIM is a short peptide with dual function of binding ubiquitin (Ub and promoting ubiquitination. We elucidated the structures and dynamics of the tandem UIMs of ataxin-3 (AT3-UIM12 both in free and Ub-bound forms. The solution structure of free AT3-UIM12 consists of two α-helices and a flexible linker, whereas that of the Ub-bound form is much more compact with hydrophobic contacts between the two helices. NMR dynamics indicates that the flexible linker becomes rigid when AT3-UIM12 binds with Ub. Isothermal titration calorimetry and NMR titration demonstrate that AT3-UIM12 binds diUb with two distinct affinities, and the linker plays a critical role in association of the two helices in diUb binding. These results provide an implication that the tandem UIM12 interacts with Ub or diUb in a cooperative manner through an allosteric effect and dynamics change of the linker region, which might be related to its recognitions with various Ub chains and ubiquitinated substrates.

  7. An Immersed Boundary Method for Solving the Compressible Navier-Stokes Equations with Fluid Structure Interaction

    Science.gov (United States)

    Brehm, Christoph; Barad, Michael F.; Kiris, Cetin C.

    2016-01-01

    An immersed boundary method for the compressible Navier-Stokes equation and the additional infrastructure that is needed to solve moving boundary problems and fully coupled fluid-structure interaction is described. All the methods described in this paper were implemented in NASA's LAVA solver framework. The underlying immersed boundary method is based on the locally stabilized immersed boundary method that was previously introduced by the authors. In the present paper this method is extended to account for all aspects that are involved for fluid structure interaction simulations, such as fast geometry queries and stencil computations, the treatment of freshly cleared cells, and the coupling of the computational fluid dynamics solver with a linear structural finite element method. The current approach is validated for moving boundary problems with prescribed body motion and fully coupled fluid structure interaction problems in 2D and 3D. As part of the validation procedure, results from the second AIAA aeroelastic prediction workshop are also presented. The current paper is regarded as a proof of concept study, while more advanced methods for fluid structure interaction are currently being investigated, such as geometric and material nonlinearities, and advanced coupling approaches.

  8. DNAproDB: an interactive tool for structural analysis of DNA-protein complexes.

    Science.gov (United States)

    Sagendorf, Jared M; Berman, Helen M; Rohs, Remo

    2017-07-03

    Many biological processes are mediated by complex interactions between DNA and proteins. Transcription factors, various polymerases, nucleases and histones recognize and bind DNA with different levels of binding specificity. To understand the physical mechanisms that allow proteins to recognize DNA and achieve their biological functions, it is important to analyze structures of DNA-protein complexes in detail. DNAproDB is a web-based interactive tool designed to help researchers study these complexes. DNAproDB provides an automated structure-processing pipeline that extracts structural features from DNA-protein complexes. The extracted features are organized in structured data files, which are easily parsed with any programming language or viewed in a browser. We processed a large number of DNA-protein complexes retrieved from the Protein Data Bank and created the DNAproDB database to store this data. Users can search the database by combining features of the DNA, protein or DNA-protein interactions at the interface. Additionally, users can upload their own structures for processing privately and securely. DNAproDB provides several interactive and customizable tools for creating visualizations of the DNA-protein interface at different levels of abstraction that can be exported as high quality figures. All functionality is documented and freely accessible at http://dnaprodb.usc.edu. © The Author(s) 2017. Published by Oxford University Press on behalf of Nucleic Acids Research.

  9. Analysis of the fluid and structure interaction in the control rod drop process

    International Nuclear Information System (INIS)

    Li Peng; Yan Yiren; Lu Li; Liu Tong; Zhou Yuemin; Guo Yan

    2013-01-01

    Background: The drop time of control rod assembly is one of the most important parameters to ensure the safe operation of nuclear power plants. Due to the fluid-structure interaction (FSI), the elastic structures, such as control rods and guide tubes, will vibrate in the dropping of control rod assembly. The impact and friction between the control rod and guide tubes caused by large transverse vibration will influence the drop time calculation. Purpose: To study in detail the flow-induced vibration and the friction, this paper focus on the fluid-structure interaction in the control rod drop process. Methods: Firstly, the vibration equations of control rod and guide tubes considering the fluid-structure interaction are established. Then the various fluid forces are analyzed in accordance with their qualities, and the influences of different guide tubes in a guide tubes array are also considered. Results: The friction between control rod and guide tube is not zero, and the friction under seismic condition is larger. Conclusions: The analysis on the fluid and structure interaction presented in this paper is reasonable and can improve current analytical models of control rod drop time calculation. (authors)

  10. Dengue Virus Non-structural Protein 1 Modulates Infectious Particle Production via Interaction with the Structural Proteins.

    Directory of Open Access Journals (Sweden)

    Pietro Scaturro

    Full Text Available Non-structural protein 1 (NS1 is one of the most enigmatic proteins of the Dengue virus (DENV, playing distinct functions in immune evasion, pathogenesis and viral replication. The recently reported crystal structure of DENV NS1 revealed its peculiar three-dimensional fold; however, detailed information on NS1 function at different steps of the viral replication cycle is still missing. By using the recently reported crystal structure, as well as amino acid sequence conservation, as a guide for a comprehensive site-directed mutagenesis study, we discovered that in addition to being essential for RNA replication, DENV NS1 is also critically required for the production of infectious virus particles. Taking advantage of a trans-complementation approach based on fully functional epitope-tagged NS1 variants, we identified previously unreported interactions between NS1 and the structural proteins Envelope (E and precursor Membrane (prM. Interestingly, coimmunoprecipitation revealed an additional association with capsid, arguing that NS1 interacts via the structural glycoproteins with DENV particles. Results obtained with mutations residing either in the NS1 Wing domain or in the β-ladder domain suggest that NS1 might have two distinct functions in the assembly of DENV particles. By using a trans-complementation approach with a C-terminally KDEL-tagged ER-resident NS1, we demonstrate that the secretion of NS1 is dispensable for both RNA replication and infectious particle production. In conclusion, our results provide an extensive genetic map of NS1 determinants essential for viral RNA replication and identify a novel role of NS1 in virion production that is mediated via interaction with the structural proteins. These studies extend the list of NS1 functions and argue for a central role in coordinating replication and assembly/release of infectious DENV particles.

  11. Seismic reliability assessment of RC structures including soil–structure interaction using wavelet weighted least squares support vector machine

    International Nuclear Information System (INIS)

    Khatibinia, Mohsen; Javad Fadaee, Mohammad; Salajegheh, Javad; Salajegheh, Eysa

    2013-01-01

    An efficient metamodeling framework in conjunction with the Monte-Carlo Simulation (MCS) is introduced to reduce the computational cost in seismic reliability assessment of existing RC structures. In order to achieve this purpose, the metamodel is designed by combining weighted least squares support vector machine (WLS-SVM) and a wavelet kernel function, called wavelet weighted least squares support vector machine (WWLS-SVM). In this study, the seismic reliability assessment of existing RC structures with consideration of soil–structure interaction (SSI) effects is investigated in accordance with Performance-Based Design (PBD). This study aims to incorporate the acceptable performance levels of PBD into reliability theory for comparing the obtained annual probability of non-performance with the target values for each performance level. The MCS method as the most reliable method is utilized to estimate the annual probability of failure associated with a given performance level in this study. In WWLS-SVM-based MCS, the structural seismic responses are accurately predicted by WWLS-SVM for reducing the computational cost. To show the efficiency and robustness of the proposed metamodel, two RC structures are studied. Numerical results demonstrate the efficiency and computational advantages of the proposed metamodel for the seismic reliability assessment of structures. Furthermore, the consideration of the SSI effects in the seismic reliability assessment of existing RC structures is compared to the fixed base model. It shows which SSI has the significant influence on the seismic reliability assessment of structures.

  12. Giant amplification in degenerate band edge slow-wave structures interacting with an electron beam

    Energy Technology Data Exchange (ETDEWEB)

    Othman, Mohamed A. K.; Veysi, Mehdi; Capolino, Filippo [Department of Electrical Engineering and Computer Science, University of California, Irvine, California 92697 (United States); Figotin, Alexander [Department of Mathematics, University of California, Irvine, California 92697 (United States)

    2016-03-15

    We propose a new amplification regime based on a synchronous operation of four degenerate electromagnetic (EM) modes in a slow-wave structure and the electron beam, referred to as super synchronization. These four EM modes arise in a Fabry-Pérot cavity when degenerate band edge (DBE) condition is satisfied. The modes interact constructively with the electron beam resulting in superior amplification. In particular, much larger gains are achieved for smaller beam currents compared to conventional structures based on synchronization with only a single EM mode. We demonstrate giant gain scaling with respect to the length of the slow-wave structure compared to conventional Pierce type single mode traveling wave tube amplifiers. We construct a coupled transmission line model for a loaded waveguide slow-wave structure exhibiting a DBE, and investigate the phenomenon of giant gain via super synchronization using the Pierce model generalized to multimode interaction.

  13. Structural requirements for the interaction between class II MHC molecules and peptide antigens

    DEFF Research Database (Denmark)

    Sette, A; Buus, S; Appella, E

    1990-01-01

    IA(d) and IE(d) molecules and their peptide ligands, we found that some structural characteristics apply to both antigen-MHC interactions. In particular, we found: 1) each MHC molecule is capable of binding many unrelated peptides through the same peptide-binding site; 2) despite this permissiveness......Previous work from our and other laboratories indicates that T cells recognize a complex between the MHC restriction element and peptide antigen fragments. This paper reviews the structural characteristics of the formation of such a complex. By analyzing in detail the interactions between purified...... of binding, it is possible to define certain structural features of peptides that are associated with the capacity to bind to a particular MHC specificity (IA(d) or IE(d)); 3) IA(d) and IE(d) molecules recognize different and independent structures on the antigen molecule; 4) only about 10% of the single...

  14. Life history determines genetic structure and evolutionary potential of host-parasite interactions.

    Science.gov (United States)

    Barrett, Luke G; Thrall, Peter H; Burdon, Jeremy J; Linde, Celeste C

    2008-12-01

    Measures of population genetic structure and diversity of disease-causing organisms are commonly used to draw inferences regarding their evolutionary history and potential to generate new variation in traits that determine interactions with their hosts. Parasite species exhibit a range of population structures and life-history strategies, including different transmission modes, life-cycle complexity, off-host survival mechanisms and dispersal ability. These are important determinants of the frequency and predictability of interactions with host species. Yet the complex causal relationships between spatial structure, life history and the evolutionary dynamics of parasite populations are not well understood. We demonstrate that a clear picture of the evolutionary potential of parasitic organisms and their demographic and evolutionary histories can only come from understanding the role of life history and spatial structure in influencing population dynamics and epidemiological patterns.

  15. Crystal structures of four δ-keto esters and a Cambridge Structural Database analysis of cyano-halogen interactions.

    Science.gov (United States)

    Kamal, Kulsoom; Maurya, Hardesh K; Gupta, Atul; Vasudev, Prema G

    2015-10-01

    The revived interest in halogen bonding as a tool in pharmaceutical cocrystals and drug design has indicated that cyano-halogen interactions could play an important role. The crystal structures of four closely related δ-keto esters, which differ only in the substitution at a single C atom (by H, OMe, Cl and Br), are compared, namely ethyl 2-cyano-5-oxo-5-phenyl-3-(piperidin-1-yl)pent-2-enoate, C19H22N2O3, (1), ethyl 2-cyano-5-(4-methoxyphenyl)-5-oxo-3-(piperidin-1-yl)pent-2-enoate, C20H24N2O4, (2), ethyl 5-(4-chlorophenyl)-2-cyano-5-oxo-3-(piperidin-1-yl)pent-2-enoate, C19H21ClN2O3, (3), and the previously published ethyl 5-(4-bromophenyl)-2-cyano-5-oxo-3-(piperidin-1-yl)pent-2-enoate, C19H21BrN2O3, (4) [Maurya, Vasudev & Gupta (2013). RSC Adv. 3, 12955-12962]. The molecular conformations are very similar, while there are differences in the molecular assemblies. Intermolecular C-H...O hydrogen bonds are found to be the primary interactions in the crystal packing and are present in all four structures. The halogenated derivatives have additional aromatic-aromatic interactions and cyano-halogen interactions, further stabilizing the molecular packing. A database analysis of cyano-halogen interactions using the Cambridge Structural Database [CSD; Groom & Allen (2014). Angew. Chem. Int. Ed. 53, 662-671] revealed that about 13% of the organic molecular crystals containing both cyano and halogen groups have cyano-halogen interactions in their packing. Three geometric parameters for the C-X...N[triple-bond]C interaction (X = F, Cl, Br or I), viz. the N...X distance and the C-X...N and C-N...X angles, were analysed. The results indicate that all the short cyano-halogen contacts in the CSD can be classified as halogen bonds, which are directional noncovalent interactions.

  16. Molecular structure and interactions of nucleic acid components in nanoparticles: ab initio calculations

    International Nuclear Information System (INIS)

    Rubin, Yu.V.; Belous, L.F.

    2012-01-01

    Self-associates of nucleic acid components (stacking trimers and tetramers of the base pairs of nucleic acids) and short fragments of nucleic acids are nanoparticles (linear sizes of these particles are more than 10 A). Modern quantum-mechanical methods and softwares allow one to perform ab initio calculations of the systems consisting of 150-200 atoms with enough large basis sets (for example, 6-31G * ). The aim of this work is to reveal the peculiarities of molecular and electronic structures, as well as the energy features of nanoparticles of nucleic acid components. We had carried out ab initio calculations of the molecular structure and interactions in the stacking dimer, trimer, and tetramer of nucleic base pairs and in the stacking (TpG)(ApC) dimer and (TpGpC) (ApCpG) trimer of nucleotides, which are small DNA fragments. The performed calculations of molecular structures of dimers and trimers of nucleotide pairs showed that the interplanar distance in the structures studied is equal to 3.2 A on average, and the helical angle in a trimer is approximately equal to 30 o : The distance between phosphor atoms in neighboring chains is 13.1 A. For dimers and trimers under study, we calculated the horizontal interaction energies. The analysis of interplanar distances and angles between nucleic bases and their pairs in the calculated short oligomers of nucleic acid base pairs (stacking dimer, trimer, and tetramer) has been carried out. Studies of interactions in the calculated short oligomers showed a considerable role of the cross interaction in the stabilization of the structures. The contribution of cross interactions to the horizontal interactions grows with the length of an oligomer. Nanoparticle components get electric charges in nanoparticles. Longwave low-intensity bands can appear in the electron spectra of nanoparticles.

  17. A computational domain decomposition approach for solving coupled flow-structure-thermal interaction problems

    OpenAIRE

    Eugenio Aulisa; Sandro Manservisi; Padmanabhan Seshaiyer

    2009-01-01

    Solving complex coupled processes involving fluid-structure-thermal interactions is a challenging problem in computational sciences and engineering. Currently there exist numerous public-domain and commercial codes available in the area of Computational Fluid Dynamics (CFD), Computational Structural Dynamics (CSD) and Computational Thermodynamics (CTD). Different groups specializing in modelling individual process such as CSD, CFD, CTD often come together to solve a complex coupled ap...

  18. SPH Simulation of Fluid-Structure Interaction Problems with Application to Hovercraft

    OpenAIRE

    Yang, Qing

    2011-01-01

    A Computational Fluid Dynamics (CFD) tool is developed in this thesis to solve complex fluid-structure interaction (FSI) problems. The fluid domain is based on Smoothed Particle Hydro-dynamics (SPH) and the structural domain employs large-deformation Finite Element Method (FEM). Validation tests of SPH and FEM are first performed individually. A loosely-coupled SPH-FEM model is then proposed for solving FSI problems. Validation results of two benchmark FSI problems are illustrated (Antoci et ...

  19. Components interaction in timber framed masonry structures subjected to lateral forces

    Directory of Open Access Journals (Sweden)

    Andreea DUTU

    2012-07-01

    Full Text Available Structures with timber framed masonry represent a special typology that is frequently found in Europe and other countries of the world. They are traditional buildings, non-engineered, which showed an unexpected redundancy during earthquakes where reinforced concrete buildings (improperly constructed collapsed. In the paper, aspects regarding the interaction between timber elements and masonry are mainly addressed, that were observed both in experimental studies, but also in the in situ seismic behavior of this type of structure during important earthquakes.

  20. Life history determines genetic structure and evolutionary potential of host–parasite interactions

    OpenAIRE

    Barrett, Luke G.; Thrall, Peter H.; Burdon, Jeremy J.; Linde, Celeste C.

    2008-01-01

    Measures of population genetic structure and diversity of disease-causing organisms are commonly used to draw inferences regarding their evolutionary history and potential to generate new variation in traits that determine interactions with their hosts. Parasite species exhibit a range of population structures and life-history strategies, including different transmission modes, life-cycle complexity, off-host survival mechanisms and dispersal ability. These are important determinants of the f...

  1. Quantifying uncertainties of a Soil-Foundation Structure-Interaction System under Seismic Excitation

    Energy Technology Data Exchange (ETDEWEB)

    Tong, C

    2008-04-07

    We applied a spectrum of uncertainty quantification (UQ) techniques to the study of a two-dimensional soil-foundation-structure-interaction (2DSFSI) system (obtained from Professor Conte at UCSD) subjected to earthquake excitation. In the process we varied 19 uncertain parameters describing material properties of the structure and the soil. We present in detail the results for the different stages of our UQ analyses.

  2. Engineering characterization of ground motion. Task II. Effects of ground motion characteristics on structural response considering localized structural nonlinearities and soil-structure interaction effects. Volume 2

    International Nuclear Information System (INIS)

    Kennedy, R.P.; Kincaid, R.H.; Short, S.A.

    1985-03-01

    This report presents the results of part of a two-task study on the engineering characterization of earthquake ground motion for nuclear power plant design. Task I of the study, which is presented in NUREG/CR-3805, Vol. 1, developed a basis for selecting design response spectra taking into account the characteristics of free-field ground motion found to be significant in causing structural damage. Task II incorporates additional considerations of effects of spatial variations of ground motions and soil-structure interaction on foundation motions and structural response. The results of Task II are presented in four parts: (1) effects of ground motion characteristics on structural response of a typical PWR reactor building with localized nonlinearities and soil-structure interaction effects; (2) empirical data on spatial variations of earthquake ground motion; (3) soil-structure interaction effects on structural response; and (4) summary of conclusions and recommendations based on Tasks I and II studies. This report presents the results of the first part of Task II. The results of the other parts will be presented in NUREG/CR-3805, Vols. 3 to 5

  3. Structure of uracil-DNA glycosylase from Mycobacterium tuberculosis: insights into interactions with ligands

    International Nuclear Information System (INIS)

    Kaushal, Prem Singh; Talawar, Ramappa K.; Varshney, Umesh; Vijayan, M.

    2010-01-01

    The molecule of uracil-DNA glycosylase from M. tuberculosis exhibits domain motion on binding to DNA or a proteinaceous inhibitor. The highly conserved DNA-binding region interacts with a citrate ion in the structure. Uracil N-glycosylase (Ung) is the most thoroughly studied of the group of uracil DNA-glycosylase (UDG) enzymes that catalyse the first step in the uracil excision-repair pathway. The overall structure of the enzyme from Mycobacterium tuberculosis is essentially the same as that of the enzyme from other sources. However, differences exist in the N- and C-terminal stretches and some catalytic loops. Comparison with appropriate structures indicate that the two-domain enzyme closes slightly when binding to DNA, while it opens slightly when binding to the proteinaceous inhibitor Ugi. The structural changes in the catalytic loops on complexation reflect the special features of their structure in the mycobacterial protein. A comparative analysis of available sequences of the enzyme from different sources indicates high conservation of amino-acid residues in the catalytic loops. The uracil-binding pocket in the structure is occupied by a citrate ion. The interactions of the citrate ion with the protein mimic those of uracil, in addition to providing insights into other possible interactions that inhibitors could be involved in

  4. Peculiarities of electronic structure of silicon-on-insulator structures and their interaction with synchrotron radiation

    Directory of Open Access Journals (Sweden)

    Vladimir A. Terekhov

    2015-09-01

    Full Text Available SOI (silicon-on-insulator structures with strained and unstrained silicon layers were studied by ultrasoft X-ray emission spectroscopy and X-ray absorption near edge structure spectroscopy with the use of synchrotron radiation techniques. Analysis of X-ray data has shown a noticeable transformation of the electron energy spectrum and local partial density of states distribution in valence and conduction bands in the strained silicon layer of the SOI structure. USXES Si L2,3 spectra analysis revealed a decrease of the distance between the L2v′ и L1v points in the valence band of the strained silicon layer as well as a shift of the first two maxima of the XANES first derivation spectra to the higher energies with respect to conduction band bottom Ec. At the same time the X-ray standing waves of synchrotron radiation (λ~12–20 nm are formed in the silicon-on-insulator structure with and without strains of the silicon layer. Moreover changing the synchrotron radiation grazing angle θ by 2° leads to a change of the electromagnetic field phase to the opposite.

  5. Structural Consequences of Anionic Host-Cationic Guest Interactions in a Supramolecular Assembly

    Energy Technology Data Exchange (ETDEWEB)

    Pluth, Michael D.; Johnson, Darren W.; Szigethy, Geza; Davis, Anna V.; Teat, Simon J.; Oliver, Allen G.; Bergman, Robert G.; Raymond, Kenneth N.

    2008-07-09

    The molecular structure of the self-assembled supramolecular assembly [M{sub 4}L{sub 6}]{sup 12-} has been explored with different metals (M = Ga{sup III}, Fe{sup III}, Ti{sup IV}) and different encapsulated guests (NEt{sub 4}{sup +}, BnNMe{sub 3}{sup +}, Cp{sub 2}Co{sup +}, Cp*{sub 2}Co{sup +}) by X-ray crystallography. While the identity of the metal ions at the vertices of the M{sub 4}L{sub 6} structure is found to have little effect on the assembly structure, encapsulated guests significantly distort the size and shape of the interior cavity of the assembly. Cations on the exterior of the assembly are found to interact with the assembly through either {pi}-{pi}, cation-{pi}, or CH-{pi} interactions. In some cases, the exterior guests interact with only one assembly, but cations with the ability to form multiple {pi}-{pi} interactions are able to interact with adjacent assemblies in the crystal lattice. The solvent accessible cavity of the assembly is modeled using the rolling probe method and found to range from 253-434 {angstrom}{sup 3}, depending on the encapsulated guest. Based on the volume of the guest and the volume of the cavity, the packing coefficient for each host-guest complex is found to range from 0.47-0.67.

  6. Nonlinear soil-structure interaction analysis of SIMQUAKE II. Final report

    International Nuclear Information System (INIS)

    Vaughan, D.K.; Isenberg, J.

    1982-04-01

    This report describes an analytic method for modeling of soil-structure interaction (SSI) for nuclear power plants in earthquakes and discusses its application to SSI analyses of SIMQUAKE II. The method is general and can be used to simulate a three-dimensional structural geometry, nonlinear site characteristics and arbitrary input ground shaking. The analytic approach uses the soil island concept to reduce SSI models to manageable size and cost. Nonlinear constitutive behavior of the soil is represented by the nonlinear, kinematic cap model. In addition, a debonding-rebonding soil-structure interface model is utilized to represent nonlinear effects which singificantly alter structural response in the SIMQUAKE tests. STEALTH, an explicit finite difference code, is used to perform the dynamic, soil-structure interaction analyses. Several two-dimensional posttest SSI analyses of model containment structures in SIMQUAKE II are performed and results compared with measured data. These analyses qualify the analytic method. They also show the importance of including debonding-rebonding at the soil-structure interface. Sensitivity of structural response to compaction characteristics of backfill material is indicated

  7. Soil structure interaction analysis for the US NRC seismic safety margins research program

    International Nuclear Information System (INIS)

    Johnson, J.J.

    1979-01-01

    The soil structure interaction project is described. The initial portion of this task concentrates on defining the state-of-the-art in the analysis of the soil structure interaction phenomenon, an assessment of those aspects of the phenomenon which significantly affect structural response, and recommendations for future development of analytical techniques and their verification. A series of benchmark analytical and test problems for which analytical techniques may be evaluated are also sought. This assessment is to be performed in the context of nuclear power plant structures; i.e., massive stiff structures arranged functionally on a particular site. The best estimate methodology will be utilized to develop transfer functions for the overall systems model. These transfer functions will operate on the free-field ground motion yielding the structural base mat response and selected in-structure response quantities for the particular site being analyzed. The transfer functions will depend on a number of parameters, e.g., soil configuration, soil material properties, frequency of the excitation, structural properties, etc. A limited comparison of alternative methods of analysis including a nonlinear analysis will be performed

  8. Seismic sensitivity study of a generic CANDU nuclear power plant: Soil-structure interaction

    International Nuclear Information System (INIS)

    Lee, L.S.S.; Duff, C.G.

    1983-01-01

    The seismic sensitivity and capability study for a generic CANDU Plant is part of an overall development program of design standardization. The purpose of this paper is to investigate the sensitivities of structural responses and floor response spectra (FRS) to variations of structural and soil parameters. In the seismic design standardization, a wide range of soil conditions is considered and the envelopes of the resulting site spectra (soil-structure interaction effect) are then used for the design of the generic plant. The nuclear island structures considered herein have different relative stiffness and one of them has two layout/structure schemes: one is relatively flexible and the other is moderately stiff. In the preliminary phase of the seismic sensitivity study presented hereby, the soil-structure interaction seismic analysis is based on the half-space modelling (soil-spring lumped-mass) method and the response spectrum method for the seismic responses. Distinct patterns and sensitivity of the site spectrum analysis for structure schemes of different relative stiffness and for different structural elevations are observed and discussed. (orig.)

  9. JPL control/structure interaction test bed real-time control computer architecture

    Science.gov (United States)

    Briggs, Hugh C.

    1989-01-01

    The Control/Structure Interaction Program is a technology development program for spacecraft that exhibit interactions between the control system and structural dynamics. The program objectives include development and verification of new design concepts - such as active structure - and new tools - such as combined structure and control optimization algorithm - and their verification in ground and possibly flight test. A focus mission spacecraft was designed based upon a space interferometer and is the basis for design of the ground test article. The ground test bed objectives include verification of the spacecraft design concepts, the active structure elements and certain design tools such as the new combined structures and controls optimization tool. In anticipation of CSI technology flight experiments, the test bed control electronics must emulate the computation capacity and control architectures of space qualifiable systems as well as the command and control networks that will be used to connect investigators with the flight experiment hardware. The Test Bed facility electronics were functionally partitioned into three units: a laboratory data acquisition system for structural parameter identification and performance verification; an experiment supervisory computer to oversee the experiment, monitor the environmental parameters and perform data logging; and a multilevel real-time control computing system. The design of the Test Bed electronics is presented along with hardware and software component descriptions. The system should break new ground in experimental control electronics and is of interest to anyone working in the verification of control concepts for large structures.

  10. Estimating and interpreting latent variable interactions: A tutorial for applying the latent moderated structural equations method.

    Science.gov (United States)

    Maslowsky, Julie; Jager, Justin; Hemken, Douglas

    2015-01-01

    Latent variables are common in psychological research. Research questions involving the interaction of two variables are likewise quite common. Methods for estimating and interpreting interactions between latent variables within a structural equation modeling framework have recently become available. The latent moderated structural equations (LMS) method is one that is built into Mplus software. The potential utility of this method is limited by the fact that the models do not produce traditional model fit indices, standardized coefficients, or effect sizes for the latent interaction, which renders model fitting and interpretation of the latent variable interaction difficult. This article compiles state-of-the-science techniques for assessing LMS model fit, obtaining standardized coefficients, and determining the size of the latent interaction effect in order to create a tutorial for new users of LMS models. The recommended sequence of model estimation and interpretation is demonstrated via a substantive example and a Monte Carlo simulation. Finally, extensions of this method are discussed, such as estimating quadratic effects of latent factors and interactions between latent slope and intercept factors, which hold significant potential for testing and advancing developmental theories.

  11. Guidelines for Interactive Reliability-Based Structural Optimization using Quasi-Newton Algorithms

    DEFF Research Database (Denmark)

    Pedersen, C.; Thoft-Christensen, Palle

    Guidelines for interactive reliability-based structural optimization problems are outlined in terms of modifications of standard quasi-Newton algorithms. The proposed modifications minimize the condition number of the approximate Hessian matrix in each iteration, restrict the relative and absolute...

  12. Bridge-in-a-Backpack(TM) task 3.1: investigating soil - structure interaction - experimental design.

    Science.gov (United States)

    2015-07-01

    This report includes fulfillment of Task 3.1 of a multi-task contract to further enhance concrete filled FRP tubes, or : the Bridge in a Backpack. Task 3 is an investigation of soil-structure interaction for the FRP tubes. Task 3.1 is the : design of...

  13. Finite element analysis of a fluid-structure interaction in flexible pipe ...

    African Journals Online (AJOL)

    The obtained mathematical system is constituted of four non-linear hyperbolic partial differential equations describing the wave propagation in both pipe wall and liquid flow. The fluid-structure interaction is found to be governed by Poisson's ratio. In this steady finite element method based on Galerkin formulation is applied.

  14. Pool Structures: A New Type of Interaction Zones of Lithospheric Plate Flows

    Science.gov (United States)

    Garetskyi, R. G.; Leonov, M. G.

    2018-02-01

    Study of tectono-geodynamic clusters of the continental lithosphere (the Sloboda cluster of the East European Platform and the Pamir cluster of Central Asia) permitted identification of pool structures, which are a specific type of zone of intraplate interaction of rock masses.

  15. Simulation of the fluid structure interaction for an aerostatic bearing and a flexible substrate

    NARCIS (Netherlands)

    Olieslagers, R.; Wild, M. de; Melick, S. van; Knaapen, R.

    2014-01-01

    The fluid structure interaction for an aerostatic bearing and a substrate is solved numerically by a semi-analytical model, programmed in the software package MATLAB. This semi-analytical model uses a fluidic network of resistances and capacities to solve the pressure field in the bearing channel.

  16. Pinwheel-like structures resulting from interaction of plane pulses of excitation.

    Science.gov (United States)

    Sielewiesiuk, Jakub; Górecki, Jerzy

    2002-12-01

    We demonstrate that complex spatiotemporal structures may appear in an excitable system as the result of interaction between two plane pulses. Such behavior has been obtained for FitzHugh-Nagumo type of dynamics by numerical integration of reaction-diffusion equations.

  17. Synthesis, X-ray structure and N–H…O interactions in 1,3-diphenyl ...

    Indian Academy of Sciences (India)

    The synthesis, X-ray structure and role of intermolecular interactions have been studied in case of 1,3-diphenyl-urea, owing to its medicinal importance. The compound crystallizes in orthorhombic crystal system (space group, 21) with unit cell parameters, = 9.118(3), = 10.558(2), = 11.780(3) Å and = 4.

  18. Validation of the interface-GMRES(R) solution method for fluid-structure interactions

    NARCIS (Netherlands)

    Michler, C.; Van Brummelen, E.H.; In 't Groen, R.; De Borst, R.

    2006-01-01

    The numerical solution of fluid-structure interactions with the customary subiteration method incurs numerous deficiencies. We validate a recently proposed solution method based on the conjugation of subiteration with a Newton-Krylov method, and demonstrate its superiority and beneficial

  19. Bayesian Methods for Analyzing Structural Equation Models with Covariates, Interaction, and Quadratic Latent Variables

    Science.gov (United States)

    Lee, Sik-Yum; Song, Xin-Yuan; Tang, Nian-Sheng

    2007-01-01

    The analysis of interaction among latent variables has received much attention. This article introduces a Bayesian approach to analyze a general structural equation model that accommodates the general nonlinear terms of latent variables and covariates. This approach produces a Bayesian estimate that has the same statistical optimal properties as a…

  20. Observed Family Interactions among Subtypes of Eating Disorders Using Structural Analysis of Social Behavior.

    Science.gov (United States)

    Humphrey, Laura Lynn

    1989-01-01

    Compared observations of family interactions among anorexic, bulimic-anorexic, bulimic, and normal families (N=74 families) consisting of father, mother, and teenage daughter. Benjamin's structural analysis of social behavior methodology differentiated clinical from normal families. Found unique patterns among subtypes of eating disorders which…

  1. Cross-habitat interactions among bivalve species control community structure on intertidal flats

    NARCIS (Netherlands)

    Donadi, S.; van der Heide, T.; van der Zee, E.M.; Eklöf, J.S.; van de Koppel, J.; Weerman, E.J.; Piersma, T.; Olff, H.; Eriksson, B.K.

    2013-01-01

    Increasing evidence shows that spatial interactions between sedentary organisms can structure communities and promote landscape complexity in many ecosystems. Here we tested the hypothesis that reef-forming mussels (Mytilus edulis L.), a dominant intertidal ecosystem engineer in the Wadden Sea,

  2. Cross-habitat interactions among bivalve species control community structure on intertidal flats

    NARCIS (Netherlands)

    Donadi, Serena; van der Heide, Tjisse; van der Zee, Els M.; Eklöf, Johan S.; van de Koppel, Johan; Weerman, Ellen J.; Piersma, Theunis; Olff, Han; Eriksson, Britas Klemens

    Increasing evidence shows that spatial interactions between sedentary organisms can structure communities and promote landscape complexity in many ecosystems. Here we tested the hypothesis that reef-forming mussels (Mytilus edulis L.), a dominant intertidal ecosystem engineer in the Wadden Sea,

  3. Long-distance interactions regulate the structure and resilience of coastal ecosystems

    NARCIS (Netherlands)

    van de Koppel, Johan; van der Heide, Tjisse; Altieri, Andrew H; Eriksson, Britas Klemens; Bouma, Tjeerd J; Olff, Han; Silliman, Brian R

    Mounting evidence indicates that spatial interactions are important in structuring coastal ecosystems. Until recently, however, most of this work has been focused on seemingly exceptional systems that are characterized by regular, self-organized patterns. In this review, we document that

  4. Interactive tool that empowers structural understanding and enables FEM analysis in a parametric design environment

    DEFF Research Database (Denmark)

    Christensen, Jesper Thøger; Parigi, Dario; Kirkegaard, Poul Henning

    2014-01-01

    This paper introduces an interactive tool developed to integrate structural analysis in the architectural design environment from the early conceptual design stage. The tool improves exchange of data between the design environment of Rhino Grasshopper and the FEM analysis of Autodesk Robot...

  5. Interaction energies and structures of the Li·(CO) n (n= 1–3 ...

    Indian Academy of Sciences (India)

    Home; Journals; Journal of Chemical Sciences; Volume 129; Issue 5. Interaction energies ... JAMAL N DAWOUD. Regular Article Volume 129 Issue 5 May 2017 pp 543-552 ... Abstract. The bonding and structures of lithium ion carbonyl complexes, Li⁺·(CO)1−3, were studied at the CCSD and MP2 levels of theories. A linear ...

  6. Interactions between shoot age structure, nutrient availability and integration in the giant bamboo Phyllostachys pubescens

    NARCIS (Netherlands)

    Li, R.; Werger, M.J.A.; Kroon, de H.; During, H.J.; Zhong, Z.C.

    2000-01-01

    The age structure of adult shoots, the nutrient availability of the habitat, and their interaction, are important factors influencing the productivity of bamboo groves. In a field fertilization experiment over two years we examined the impact of physiological integration on the emergence, growth,

  7. Long-Distance Interactions Regulate the Structure and Resilience of Coastal Ecosystems

    NARCIS (Netherlands)

    van de Koppel, J.; van der Heide, T.; Altieri, A.H.; Eriksson, B.K.; Bouma, T.J.; Olff, H.; Silliman, B.R.

    2015-01-01

    Mounting evidence indicates that spatial interactions are important in structuring coastal ecosystems. Until recently, however, most of this work has been focused on seemingly exceptional systems that are characterized by regular, self-organized patterns. In this review, we document that

  8. Relationship between Online Learning Readiness and Structure and Interaction of Online Learning Students

    Science.gov (United States)

    Demir Kaymak, Zeliha; Horzum, Mehmet Baris

    2013-01-01

    Current study tried to determine whether a relationship exists between readiness levels of the online learning students for online learning and the perceived structure and interaction in online learning environments. In the study, cross sectional survey model was used. The study was conducted with 320 voluntary students studying online learning…

  9. A study on soil–structure interaction analysis in canyon-shaped ...

    Indian Academy of Sciences (India)

    inhomogeneity, soil–structure interaction and local stratigraphy in altering the energy mecha- nism at the different topographies. Another case-study is carried out by Stewart & Sholtis ..... The efficiency and accuracy of the program code were published by Düzgün (2007). The solutions are obtained in the Laplace domain.

  10. A matrix-free, implicit, incompressible fractional-step algorithm for fluid–structure interaction applications

    CSIR Research Space (South Africa)

    Oxtoby, Oliver F

    2012-05-01

    Full Text Available In this paper we detail a fast, fully-coupled, partitioned fluid–structure interaction (FSI) scheme. For the incompressible fluid, new fractional-step algorithms are proposed which make possible the fully implicit, but matrixfree, parallel solution...

  11. D5.3 Interaction between currents, wave, structure and subsoil

    DEFF Research Database (Denmark)

    Christensen, Erik Damgaard; Sumer, B. Mutlu; Schouten, Jan-Joost

    2015-01-01

    This chapter gives an introduction to deliverable D5.3 - Interaction between currents, waves, structure and subsoil – with respect to the MERMAID project. The deliverable focuses on the conditions in European waters such as the four sites that is addressed in the MERMAID project. The most important...

  12. Computational Methods for Coupled Fluid-Structure-Electromagnetic Interaction Models with Applications to Biomechanics

    Directory of Open Access Journals (Sweden)

    Felix Mihai

    2015-01-01

    Full Text Available Multiphysics problems arise naturally in several engineering and medical applications which often require the solution to coupled processes, which is still a challenging problem in computational sciences and engineering. Some examples include blood flow through an arterial wall and magnetic targeted drug delivery systems. For these, geometric changes may lead to a transient phase in which the structure, flow field, and electromagnetic field interact in a highly nonlinear fashion. In this paper, we consider the computational modeling and simulation of a biomedical application, which concerns the fluid-structure-electromagnetic interaction in the magnetic targeted drug delivery process. Our study indicates that the strong magnetic fields, which aid in targeted drug delivery, can impact not only fluid (blood circulation but also the displacement of arterial walls. A major contribution of this paper is modeling the interactions between these three components, which previously received little to no attention in the scientific and engineering community.

  13. Stochastic analysis of the earthquake response of structures with a view to soil-structure interaction

    International Nuclear Information System (INIS)

    Bauer, J.

    1980-01-01

    Thesis dealing with the analysis of earthquake response of structures. In order to achieve a reliable risk assessment, the results of the seismic risk analysis have to be seen in an overall view together with the results of stochastic vibrational analyses, and the data on maximum supportable stresses of the structure. Taking into account stochastic seismic focus models and calculation methods is of special significance in this connection. Based upon well-known seismic risk assessment models, the calculation of the annual probability for exceeding the acceleration level is carried out also considering the length of the failure zone, assuming that the energy released during an earthquake is uniformly, distributed over this fracture zone. The strong influence of local parameters on the annual exceeding probability is shown by a sensitivity analysis. (orig./RW) [de

  14. Fluid-Structure Interaction in a Fluid-Filled Composite Structure Subjected to Low Velocity Impact

    Science.gov (United States)

    2016-06-01

    this study of impact force, deflection, and strain were measured in a carbon fiber reinforced polymer (CFRP) composite cylinder subjected to low...Sanchez, J. Lopez-Puente, and D. Varas, “On the influence of filling level in CFRP aircraft fuel tank subjected to high velocity impacts,” Composite ...and back sides. The baffle provided the greatest strain reduction at the high fill levels. 14. SUBJECT TERMS glass fiber composite , fluid structure

  15. Structure and interactions of the human programmed cell death 1 receptor.

    Science.gov (United States)

    Cheng, Xiaoxiao; Veverka, Vaclav; Radhakrishnan, Anand; Waters, Lorna C; Muskett, Frederick W; Morgan, Sara H; Huo, Jiandong; Yu, Chao; Evans, Edward J; Leslie, Alasdair J; Griffiths, Meryn; Stubberfield, Colin; Griffin, Robert; Henry, Alistair J; Jansson, Andreas; Ladbury, John E; Ikemizu, Shinji; Carr, Mark D; Davis, Simon J

    2013-04-26

    PD-1, a receptor expressed by T cells, B cells, and monocytes, is a potent regulator of immune responses and a promising therapeutic target. The structure and interactions of human PD-1 are, however, incompletely characterized. We present the solution nuclear magnetic resonance (NMR)-based structure of the human PD-1 extracellular region and detailed analyses of its interactions with its ligands, PD-L1 and PD-L2. PD-1 has typical immunoglobulin superfamily topology but differs at the edge of the GFCC' sheet, which is flexible and completely lacks a C" strand. Changes in PD-1 backbone NMR signals induced by ligand binding suggest that, whereas binding is centered on the GFCC' sheet, PD-1 is engaged by its two ligands differently and in ways incompletely explained by crystal structures of mouse PD-1 · ligand complexes. The affinities of these interactions and that of PD-L1 with the costimulatory protein B7-1, measured using surface plasmon resonance, are significantly weaker than expected. The 3-4-fold greater affinity of PD-L2 versus PD-L1 for human PD-1 is principally due to the 3-fold smaller dissociation rate for PD-L2 binding. Isothermal titration calorimetry revealed that the PD-1/PD-L1 interaction is entropically driven, whereas PD-1/PD-L2 binding has a large enthalpic component. Mathematical simulations based on the biophysical data and quantitative expression data suggest an unexpectedly limited contribution of PD-L2 to PD-1 ligation during interactions of activated T cells with antigen-presenting cells. These findings provide a rigorous structural and biophysical framework for interpreting the important functions of PD-1 and reveal that potent inhibitory signaling can be initiated by weakly interacting receptors.

  16. NMR structure of integrin α4 cytosolic tail and its interactions with paxillin.

    Directory of Open Access Journals (Sweden)

    Geok-Lin Chua

    Full Text Available BACKGROUND: Integrins are a group of transmembrane signaling proteins that are important in biological processes such as cell adhesion, proliferation and migration. Integrins are α/β hetero-dimers and there are 24 different integrins formed by specific combinations of 18 α and 8 β subunits in humans. Generally, each of these subunits has a large extracellular domain, a single pass transmembrane segment and a cytosolic tail (CT. CTs of integrins are important in bidirectional signal transduction and they associate with a large number of intracellular proteins. PRINCIPAL FINDINGS: Using NMR spectroscopy, we determined the 3-D structure of the full-length α4 CT (Lys968-Asp999 and characterize its interactions with the adaptor protein paxillin. The α4 CT assumes an overall helical structure with a kink in its membrane proximal region. Residues Gln981-Asn997 formed a continuous helical conformation that may be sustained by potential ionic and/or hydrogen bond interactions and packing of aromatic-aliphatic side-chains. ¹⁵N-¹H HSQC NMR experiments reveal interactions of the α4 CT C-terminal region with a fragment of paxillin (residues G139-K277 that encompassed LD2-LD4 repeats. Residues of these LD repeats including their adjoining linkers showed α4 CT binding-induced chemical shift changes. Furthermore, NMR studies using LD-containing peptides showed predominant interactions between LD3 and LD4 of paxillin and α4 CT. Docked structures of the α4 CT with these LD repeats suggest possible polar and/or salt-bridge and non-polar packing interactions. SIGNIFICANCE: The current study provides molecular insights into the structural diversity of α CTs of integrins and interactions of integrin α4 CT with the adaptor protein paxillin.

  17. The importance of including dynamic soil-structure interaction into wind turbine simulation codes

    DEFF Research Database (Denmark)

    Damgaard, Mads; Andersen, Lars Vabbersgaard; Ibsen, Lars Bo

    2014-01-01

    is examined. The optimal order of the models is determined and implemented into the aeroelastic code HAWC2, where the dynamic response of a 5.0 MW wind turbine is evaluated. In contrast to the fore-aft vibrations, the inclusion of soil-structure interaction is shown to be critical for the side-side vibrations......A rigorous numerical model, describing a wind turbine structure and subsoil, may contain thousands of degrees of freedom, making the approach computationally inefficient for fast time domain analysis. In order to meet the requirements of real-time calculations, the dynamic impedance...... of the wind turbine structure....

  18. RNA-Pareto: interactive analysis of Pareto-optimal RNA sequence-structure alignments.

    Science.gov (United States)

    Schnattinger, Thomas; Schöning, Uwe; Marchfelder, Anita; Kestler, Hans A

    2013-12-01

    Incorporating secondary structure information into the alignment process improves the quality of RNA sequence alignments. Instead of using fixed weighting parameters, sequence and structure components can be treated as different objectives and optimized simultaneously. The result is not a single, but a Pareto-set of equally optimal solutions, which all represent different possible weighting parameters. We now provide the interactive graphical software tool RNA-Pareto, which allows a direct inspection of all feasible results to the pairwise RNA sequence-structure alignment problem and greatly facilitates the exploration of the optimal solution set.

  19. Viscoelastic fluid-structure interactions between flexible circular cylinder and wormlike micelle solution: Role of structural natural frequency

    Science.gov (United States)

    Dey, Anita; Modarres-Sadeghi, Yahya; Rothstein, Jonathan

    2017-11-01

    It is well known that when a flexible or flexibly-mounted structure is placed perpendicular to a Newtonian fluid flow, it can oscillate due to the shedding of separated vortices at high Reynolds numbers. Unlike Newtonian fluids, the flow of viscoelastic fluids can become unstable even at infinitesimal Reynolds numbers due to a purely elastic flow instability. We have recently shown that these elastic flow instabilities can drive the motion of different flexible structures including sheets and cylinders. In this talk, we will present an investigation into the influence of a varying natural frequency of a flexible circular cylinder on the form, frequency and amplitude of the viscoelastic fluid-structure interactions with the goal of understanding lock-in behavior for these interactions. The static and dynamic responses of the cylinder will be presented for a range of flow velocities for wormlike micelle solutions with varying viscosity and relaxation time. The time variation and state of stress of the flow field will be shown using particle image velocimetry and flow-induced birefringence images. Finally, the non-linear dynamics of the structural motion will be investigated to understand an observed transition from a symmetric to an asymmetric flow field and oscillation behavior.

  20. Exploring Nucleon Spin Structure Through Neutrino Neutral-Current Interactions in MicroBooNE

    Energy Technology Data Exchange (ETDEWEB)

    Woodruff, Katherine [New Mexico State U.

    2017-02-02

    The net contribution of the strange quark spins to the proton spin, $\\Delta s$, can be determined from neutral current elastic neutrino-proton interactions at low momentum transfer combined with data from electron-proton scattering. The probability of neutrino-proton interactions depends in part on the axial form factor, which represents the spin structure of the proton and can be separated into its quark flavor contributions. Low momentum transfer neutrino neutral current interactions can be measured in MicroBooNE, a high-resolution liquid argon time projection chamber (LArTPC) in its first year of running in the Booster Neutrino Beamline at Fermilab. The signal for these interactions in MicroBooNE is a single short proton track. We present our work on the automated reconstruction and classification of proton tracks in LArTPCs, an important step in the determination of neutrino- nucleon cross sections and the measurement of $\\Delta s$.

  1. Large-scale prediction of drug–target interactions using protein sequences and drug topological structures

    International Nuclear Information System (INIS)

    Cao Dongsheng; Liu Shao; Xu Qingsong; Lu Hongmei; Huang Jianhua; Hu Qiannan; Liang Yizeng

    2012-01-01

    Highlights: ► Drug–target interactions are predicted using an extended SAR methodology. ► A drug–target interaction is regarded as an event triggered by many factors. ► Molecular fingerprint and CTD descriptors are used to represent drugs and proteins. ► Our approach shows compatibility between the new scheme and current SAR methodology. - Abstract: The identification of interactions between drugs and target proteins plays a key role in the process of genomic drug discovery. It is both consuming and costly to determine drug–target interactions by experiments alone. Therefore, there is an urgent need to develop new in silico prediction approaches capable of identifying these potential drug–target interactions in a timely manner. In this article, we aim at extending current structure–activity relationship (SAR) methodology to fulfill such requirements. In some sense, a drug–target interaction can be regarded as an event or property triggered by many influence factors from drugs and target proteins. Thus, each interaction pair can be represented theoretically by using these factors which are based on the structural and physicochemical properties simultaneously from drugs and proteins. To realize this, drug molecules are encoded with MACCS substructure fingerings representing existence of certain functional groups or fragments; and proteins are encoded with some biochemical and physicochemical properties. Four classes of drug–target interaction networks in humans involving enzymes, ion channels, G-protein-coupled receptors (GPCRs) and nuclear receptors, are independently used for establishing predictive models with support vector machines (SVMs). The SVM models gave prediction accuracy of 90.31%, 88.91%, 84.68% and 83.74% for four datasets, respectively. In conclusion, the results demonstrate the ability of our proposed method to predict the drug–target interactions, and show a general compatibility between the new scheme and current SAR

  2. A comparative study of soil-structure interaction in the case of frame structures with raft foundation

    Directory of Open Access Journals (Sweden)

    Móczár Balázs

    2016-06-01

    Full Text Available Design and modelling of raft foundations and selecting the value of coefficient of vertical subgrade reaction are still actively discussed topics in geotechnical and structural engineering. In everyday practice, soil–structure interaction is mostly taken into account by using the theory of ‘beam on elastic foundation’, in which the soil is substituted by a certain set of coefficients of subgrade reaction. In this study, finite element analysis of a building was performed using a geotechnical software (Plaxis 3D, which is capable of modelling the subsoil as a continuum, and a structural software (Axis VM, which uses the concept of ‘beam on elastic foundation’. The evaluation of the results and recommendations for everyday engineering practice are introduced in this paper.

  3. Quantifying Long-Range Interactions and Coherent Structure in Multi-Agent Dynamics.

    Science.gov (United States)

    Cliff, Oliver M; Lizier, Joseph T; Wang, X Rosalind; Wang, Peter; Obst, Oliver; Prokopenko, Mikhail

    2017-01-01

    We develop and apply several novel methods quantifying dynamic multi-agent team interactions. These interactions are detected information-theoretically and captured in two ways: via (i) directed networks (interaction diagrams) representing significant coupled dynamics between pairs of agents, and (ii) state-space plots (coherence diagrams) showing coherent structures in Shannon information dynamics. This model-free analysis relates, on the one hand, the information transfer to responsiveness of the agents and the team, and, on the other hand, the information storage within the team to the team's rigidity and lack of tactical flexibility. The resultant interaction and coherence diagrams reveal implicit interactions, across teams, that may be spatially long-range. The analysis was verified with a statistically significant number of experiments (using simulated football games, produced during RoboCup 2D Simulation League matches), identifying the zones of the most intense competition, the extent and types of interactions, and the correlation between the strength of specific interactions and the results of the matches.

  4. Flow-structure Interaction Modeling of a Fish Caudal Fin during Steady Swimming

    Science.gov (United States)

    Liu, Geng; Geng, Biao; Zheng, Xudong; Xue, Qian; Dong, Haibo

    2017-11-01

    It's widely thought that the flexibilities of fish fins play critical roles in propulsive performance enhancement (such as thrust augment and efficiency improvement) in nature. In order to explore the formation mechanisms of the fish fin's flexible morphing and its hydrodynamic benefits as well, a high-fidelity flow-structure/membrane interaction modeling of the fish caudal fin is conducted in this work. Following the realistic configuration of the fish caudal fin, a thin membrane supported by a series of beams is constructed. The material properties of the membrane and the beams are reversely determined by the realistic fin morphing obtained from the high-speed videos and the high fidelity flow-structure interaction simulations. With the accurate material property, we investigate the interplay between structure, kinematics and fluid flow in caudal fin propulsion. Detailed analyses on the relationship between the flexural stiffness, fin morphing patterns, hydrodynamic forces and vortex dynamics are then conducted.

  5. A rheonomic model for the dynamical analysis of the structure-soil interaction

    International Nuclear Information System (INIS)

    Chiroiu, V.; Nicolae, V.

    1993-01-01

    The dynamical analysis of the structure-soil interaction requires an adequate modeling of the geometrical radiation phenomenon (g.r.) i.e. the propagation of the vibrating energy of the structure in the infinite medium. Newton's law of motion is not including the g.r., considered in this paper like an irreversible phenomenon. To incorporate this, a new wave motion equation is proposed, according to a complete analysis of the structure-soil interactions with an adequate formulation of the g.r. By using a system of fundamental dynamical solutions, the rheonom constraint applied to the half-space is represented as a restriction to the displacement solutions. A dimensionless formulation of the problem and the variation of dynamical and energetical quantities in respect to the frequency, as according to the diagram of the characteristic curve of g.r. are presented numerically. Sample results showing the importance of radiation energy for several motions are also shown

  6. Time Crystal Platform: From Quasicrystal Structures in Time to Systems with Exotic Interactions

    Science.gov (United States)

    Giergiel, Krzysztof; Miroszewski, Artur; Sacha, Krzysztof

    2018-04-01

    Time crystals are quantum many-body systems that, due to interactions between particles, are able to spontaneously self-organize their motion in a periodic way in time by analogy with the formation of crystalline structures in space in condensed matter physics. In solid state physics properties of space crystals are often investigated with the help of external potentials that are spatially periodic and reflect various crystalline structures. A similar approach can be applied for time crystals, as periodically driven systems constitute counterparts of spatially periodic systems, but in the time domain. Here we show that condensed matter problems ranging from single particles in potentials of quasicrystal structure to many-body systems with exotic long-range interactions can be realized in the time domain with an appropriate periodic driving. Moreover, it is possible to create molecules where atoms are bound together due to destructive interference if the atomic scattering length is modulated in time.

  7. Buffet induced structural/flight-control system interaction of the X-29A aircraft

    Science.gov (United States)

    Voracek, David F.; Clarke, Robert

    1991-01-01

    High angle-of-attack flight regime research is currently being conducted for modern fighter aircraft at the NASA Ames Research Center's Dryden Flight Research Facility. This flight regime provides enhanced maneuverability to fighter pilots in combat situations. Flight research data are being acquired to compare and validate advanced computational fluid dynamic solutions and wind-tunnel models. High angle-of-attack flight creates unique aerodynamic phenomena including wing rock and buffet on the airframe. These phenomena increase the level of excitation of the structural modes, especially on the vertical and horizontal stabilizers. With high gain digital flight-control systems, this structural response may result in an aeroservoelastic interaction. A structural interaction on the X-29A aircraft was observed during high angle-of-attack flight testing. The roll and yaw rate gyros sensed the aircraft's structural modes at 11, 13, and 16 Hz. The rate gyro output signals were then amplified through the flight-control laws and sent as commands to the flaperons and rudder. The flight data indicated that as the angle of attack increased, the amplitude of the buffet on the vertical stabilizer increased, which resulted in more excitation to the structural modes. The flight-control system sensors and command signals showed this increase in modal power at the structural frequencies up to a 30 degree angle-of-attack. Beyond a 30 degree angle-of-attack, the vertical stabilizer response, the feedback sensor amplitude, and control surface command signal amplitude remained relatively constant. Data are presented that show the increased modal power in the aircraft structural accelerometers, the feedback sensors, and the command signals as a function of angle of attack. This structural interaction is traced from the aerodynamic buffet to the flight-control surfaces.

  8. Buckling of Monopod Bucket Foundations – Influence of Boundary Conditions and Soil-structure Interaction

    DEFF Research Database (Denmark)

    Madsen, Søren; Pinna, Rodney; Randolph, M. F.

    2015-01-01

    Using large monopod bucket foundations as an alternative to monopiles for offshore wind turbines offers the potential for large cost savings compared to typical piled foundations. In this paper, numerical simulations are carried out to assess the risk of structural buckling during installation of...... is investigated. The effects of including soil restraint and soil–structure interaction on the buckling analysis are also addressed.......Using large monopod bucket foundations as an alternative to monopiles for offshore wind turbines offers the potential for large cost savings compared to typical piled foundations. In this paper, numerical simulations are carried out to assess the risk of structural buckling during installation...... of large-diameter bucket foundations. Since shell structures are generally sensitive to initially imperfect geometries, eigenmode-affine imperfections are introduced in a nonlinear finite-element analysis. The influence of modelling the real lid structure compared to classic boundary conditions...

  9. Experimental investigation of modal interactions in a beam-mass structure using bispectrum

    International Nuclear Information System (INIS)

    Khan, K.A.

    2001-01-01

    Observations and results pertaining to experiments with a beam-mass structure are presented. The experiments were conducted with the objective of understanding and characterizing the nonlinear interactions that occur during the motions of the structure, through the use of third-order spectra (bispectrum and bicoherence spectrum). The structure, tuned for two-to-one internal (autoparametric) resonance between its first two modes. was harmonically excited. The effect of misalignment between the components of the structure on bispectrum was also contemplated. The experimental results are provided in the form of frequency spectra, phase portraits, frequency-response curves, bispectra, and bicoherence spectra. Experimental observations of transitions from periodic to modulated motions are also presented. The potential of bispectral estimates for detecting the quadratic phase coupling among the participating modes during bifurcations and modulated motions is also contemplated. The current study is also relevant to other parametrically resonant structures like ships, rings, shells, and arches, etc. (author)

  10. A mixed implicit/explicit procedure for soil-structure interaction

    International Nuclear Information System (INIS)

    Kunar, R.R.

    1982-01-01

    This paper describes an efficient method for the solution of dynamic soil-structure interaction problems. The method which combines implicit and explicit time integration procedures is ideally suited to problems in which the structure is considered linear and the soil non-linear. The equations relating to the linear structures are integrated using an unconditionally stable implicit scheme while the non-linear soil is treated explicitly. The explicit method is ideally suited to non-linear calculations as there is no need for iterative techniques. The structural equations can also be integrated explicitly, but this generally requires a time step that is much smaller than that for the soil. By using an unconditionally stable implicit algorithm for the structure, the complete analysis can be performed using the time step for the soil. The proposed procedure leads to economical solutions with the soil non-linearities handled accurately and efficiently. (orig.)

  11. Description of a general method to compute the fluid-structure interaction

    International Nuclear Information System (INIS)

    Jeanpierre, F.; Gibert, R.J.; Hoffmann, A.; Livolant, M.

    1979-01-01

    The vibrational characteristics of a structure in air may be considerably modified when the structure is immersed in a dense fluid. Such fluid structure interaction effects are important for the seismic or flow induced vibrational studies of various nuclear equipments, as for example the PWR internals, the fast reactor vessels, heat exchangers and fuel elements. In some simple situations, the fluid effects can be simulate by added masses, but in general, they are much more complicated. A general formulation to calculate precisely the vibrational behaviour of structures containing dense fluids is presented in this paper. That formulation can be easily introduced in finite elements computer codes, the fluid being described by special fluid elements. Its use is in principle limited to the linear range: small movements of structures, small pressure fluctuations. (orig.)

  12. ZERO-2 - a general purpose computer program for fluid-structure interaction problems

    International Nuclear Information System (INIS)

    Brusa, L.; Ciacci, R.; Greco, A.

    1983-01-01

    The objective of this paper is to present a description of the main features of the finite element code ZERO-2, which allows the static and dynamic analysis of axisymmetric structures with non symmetrical loads, taking into account dynamic fluid-structure interaction effects. The structure is assumed to have an elastic behaviour and the acoustic approximation is made for the fluid. The liquid is considered as compressible and sloshing effects may be taken into account. The structural displacement field, the fluid pressure distribution and the applied loads are expanded as a Fourier series to describe circumferential variations, so that the problem is reduced to the solution of decoupled equations for the amplitude for the harmonic terms. The structure may be composed of thin and thick elements characterized by different nodal degrees of freedom. The static analysis may be performed with thermal loads and distributed or concentrated froces on the structure. The dynamic loading may consist of distributed or concentrated forces on the structure, prescribed pressures on some part of the fluid surface, prescribed forces on the structure, prescribed pressures on some part of the fluid surface, prescribed nodal displacements and seismic ground acceleration. The seismic response may be computed taking into account multiple support excitations acting both on the structure and on the fluid. The dynamic equilibrium equations are solved by means of the modal superposition method and in the case of fluid-structure interaction problems, the normal modes of the coupled system are used. One of the major problems to be considered when using modal superposition method, is the choice of an appropriate number of modes to have accurate results. (orig./GL)

  13. InterRNA: a database of base interactions in RNA structures.

    Science.gov (United States)

    Appasamy, Sri Devan; Hamdani, Hazrina Yusof; Ramlan, Effirul Ikhwan; Firdaus-Raih, Mohd

    2016-01-04

    A major component of RNA structure stabilization are the hydrogen bonded interactions between the base residues. The importance and biological relevance for large clusters of base interactions can be much more easily investigated when their occurrences have been systematically detected, catalogued and compared. In this paper, we describe the database InterRNA (INTERactions in RNA structures database-http://mfrlab.org/interrna/) that contains records of known RNA 3D motifs as well as records for clusters of bases that are interconnected by hydrogen bonds. The contents of the database were compiled from RNA structural annotations carried out by the NASSAM (http://mfrlab.org/grafss/nassam) and COGNAC (http://mfrlab.org/grafss/cognac) computer programs. An analysis of the database content and comparisons with the existing corpus of knowledge regarding RNA 3D motifs clearly show that InterRNA is able to provide an extension of the annotations for known motifs as well as able to provide novel interactions for further investigations. © The Author(s) 2015. Published by Oxford University Press on behalf of Nucleic Acids Research.

  14. Accommodation of structural rearrangements in the huntingtin-interacting protein 1 coiled-coil domain

    Energy Technology Data Exchange (ETDEWEB)

    Wilbur, Jeremy D., E-mail: jwilbur@msg.ucsf.edu [Graduate Program in Biophysics, University of California, San Francisco, California 94143 (United States); Hwang, Peter K. [Department of Biochemistry and Biophysics, University of California, San Francisco, California 94143 (United States); Brodsky, Frances M. [The G. W. Hooper Foundation, Departments of Microbiology and Immunology and of Bioengineering and Therapeutic Sciences, University of California, San Francisco, California 94143 (United States); Department of Pharmaceutical Chemistry, University of California, San Francisco, California 94143 (United States); Fletterick, Robert J. [Department of Biochemistry and Biophysics, University of California, San Francisco, California 94143 (United States); Department of Pharmaceutical Chemistry, University of California, San Francisco, California 94143 (United States); Graduate Program in Biophysics, University of California, San Francisco, California 94143 (United States)

    2010-03-01

    Variable packing interaction related to the conformational flexibility within the huntingtin-interacting protein 1 coiled coil domain. Huntingtin-interacting protein 1 (HIP1) is an important link between the actin cytoskeleton and clathrin-mediated endocytosis machinery. HIP1 has also been implicated in the pathogenesis of Huntington’s disease. The binding of HIP1 to actin is regulated through an interaction with clathrin light chain. Clathrin light chain binds to a flexible coiled-coil domain in HIP1 and induces a compact state that is refractory to actin binding. To understand the mechanism of this conformational regulation, a high-resolution crystal structure of a stable fragment from the HIP1 coiled-coil domain was determined. The flexibility of the HIP1 coiled-coil region was evident from its variation from a previously determined structure of a similar region. A hydrogen-bond network and changes in coiled-coil monomer interaction suggest that the HIP1 coiled-coil domain is uniquely suited to allow conformational flexibility.

  15. Study on mutual interactions and electronic structures of hyaluronan with Lysine, 6-Aminocaproic acid and Arginine.

    Science.gov (United States)

    Chytil, Martin; Trojan, Martin; Kovalenko, Alexander

    2016-05-20

    Interactions between polyelectrolytes and oppositely charged surfactants have been in a great interest for several decades, yet the conventional surfactants may cause a problem in medical applications. Interactivity between polysaccharide hyaluronan (HA) and amino acids Lysine, 6-Aminocaproic acid (6-AcA), and Arginine as an alternative system is reported. The interactions were investigated by means of rheology and electric conductance and the electronic structures were explored by the density functional theory (DFT). Lysine exhibits the strongest interaction of all, which was manifested, e.g. by nearly 6-time drop of the initial viscosity comparing with only 1.3-time lower value in the case of 6-AcA. Arginine interaction with HA was surprisingly weaker in terms of viscosity than that of Lysine due to a lower and delocalized charge density on its guanidine group. According to the DFT calculations, the binding of Lysine to HA was found to be more flexible, while Arginine creates more rigid structure with HA. Copyright © 2016 Elsevier Ltd. All rights reserved.

  16. Inferring transcriptional compensation interactions in yeast via stepwise structure equation modeling

    Directory of Open Access Journals (Sweden)

    Wang Woei-Fuh

    2008-03-01

    Full Text Available Abstract Background With the abundant information produced by microarray technology, various approaches have been proposed to infer transcriptional regulatory networks. However, few approaches have studied subtle and indirect interaction such as genetic compensation, the existence of which is widely recognized although its mechanism has yet to be clarified. Furthermore, when inferring gene networks most models include only observed variables whereas latent factors, such as proteins and mRNA degradation that are not measured by microarrays, do participate in networks in reality. Results Motivated by inferring transcriptional compensation (TC interactions in yeast, a stepwise structural equation modeling algorithm (SSEM is developed. In addition to observed variables, SSEM also incorporates hidden variables to capture interactions (or regulations from latent factors. Simulated gene networks are used to determine with which of six possible model selection criteria (MSC SSEM works best. SSEM with Bayesian information criterion (BIC results in the highest true positive rates, the largest percentage of correctly predicted interactions from all existing interactions, and the highest true negative (non-existing interactions rates. Next, we apply SSEM using real microarray data to infer TC interactions among (1 small groups of genes that are synthetic sick or lethal (SSL to SGS1, and (2 a group of SSL pairs of 51 yeast genes involved in DNA synthesis and repair that are of interest. For (1, SSEM with BIC is shown to outperform three Bayesian network algorithms and a multivariate autoregressive model, checked against the results of qRT-PCR experiments. The predictions for (2 are shown to coincide with several known pathways of Sgs1 and its partners that are involved in DNA replication, recombination and repair. In addition, experimentally testable interactions of Rad27 are predicted. Conclusion SSEM is a useful tool for inferring genetic networks, and the

  17. APOE-by-sex interactions on brain structure and metabolism in healthy elderly controls.

    Science.gov (United States)

    Sampedro, Frederic; Vilaplana, Eduard; de Leon, Mony J; Alcolea, Daniel; Pegueroles, Jordi; Montal, Victor; Carmona-Iragui, María; Sala, Isabel; Sánchez-Saudinos, María-Belén; Antón-Aguirre, Sofía; Morenas-Rodríguez, Estrella; Camacho, Valle; Falcón, Carles; Pavía, Javier; Ros, Domènec; Clarimón, Jordi; Blesa, Rafael; Lleó, Alberto; Fortea, Juan

    2015-09-29

    The APOE effect on Alzheimer Disease (AD) risk is stronger in women than in men but its mechanisms have not been established. We assessed the APOE-by-sex interaction on core CSF biomarkers, brain metabolism and structure in healthy elderly control individuals (HC). Cross-sectional study. HC from the Alzheimer's Disease Neuroimaging Initiative with available CSF (n = 274) and/or 3T-MRI (n = 168) and/or a FDG-PET analyses (n = 328) were selected. CSF amyloid-β1-42 (Aβ1-42), total-tau (t-tau) and phospho-tau (p-tau181p) levels were measured by Luminex assays. We analyzed the APOE-by-sex interaction on the CSF biomarkers in an analysis of covariance (ANCOVA). FDG uptake was analyzed by SPM8 and cortical thickness (CTh) was measured by FreeSurfer. FDG and CTh difference maps were derived from interaction and group analyses. APOE4 carriers had lower CSF Aβ1-42 and higher CSF p-tau181p values than non-carriers, but there was no APOE-by-sex interaction on CSF biomarkers. The APOE-by-sex interaction on brain metabolism and brain structure was significant. Sex stratification showed that female APOE4 carriers presented widespread brain hypometabolism and cortical thinning compared to female non-carriers whereas male APOE4 carriers showed only a small cluster of hypometabolism and regions of cortical thickening compared to male non-carriers. The impact of APOE4 on brain metabolism and structure is modified by sex. Female APOE4 carriers show greater hypometabolism and atrophy than male carriers. This APOE-by-sex interaction should be considered in clinical trials in preclinical AD where APOE4 status is a selection criterion.

  18. Structure and evolution of protein interaction networks: a statistical model for link dynamics and gene duplications

    Directory of Open Access Journals (Sweden)

    Wagner Andreas

    2004-11-01

    Full Text Available Abstract Background The structure of molecular networks derives from dynamical processes on evolutionary time scales. For protein interaction networks, global statistical features of their structure can now be inferred consistently from several large-throughput datasets. Understanding the underlying evolutionary dynamics is crucial for discerning random parts of the network from biologically important properties shaped by natural selection. Results We present a detailed statistical analysis of the protein interactions in Saccharomyces cerevisiae based on several large-throughput datasets. Protein pairs resulting from gene duplications are used as tracers into the evolutionary past of the network. From this analysis, we infer rate estimates for two key evolutionary processes shaping the network: (i gene duplications and (ii gain and loss of interactions through mutations in existing proteins, which are referred to as link dynamics. Importantly, the link dynamics is asymmetric, i.e., the evolutionary steps are mutations in just one of the binding parters. The link turnover is shown to be much faster than gene duplications. Both processes are assembled into an empirically grounded, quantitative model for the evolution of protein interaction networks. Conclusions According to this model, the link dynamics is the dominant evolutionary force shaping the statistical structure of the network, while the slower gene duplication dynamics mainly affects its size. Specifically, the model predicts (i a broad distribution of the connectivities (i.e., the number of binding partners of a protein and (ii correlations between the connectivities of interacting proteins, a specific consequence of the asymmetry of the link dynamics. Both features have been observed in the protein interaction network of S. cerevisiae.

  19. Secondary structure of cell-penetrating peptides during interaction with fungal cells.

    Science.gov (United States)

    Gong, Zifan; Ikonomova, Svetlana P; Karlsson, Amy J

    2018-03-01

    Cell-penetrating peptides (CPPs) are peptides that cross cell membranes, either alone or while carrying molecular cargo. Although their interactions with mammalian cells have been widely studied, much less is known about their interactions with fungal cells, particularly at the biophysical level. We analyzed the interactions of seven CPPs (penetratin, Pep-1, MPG, pVEC, TP-10, MAP, and cecropin B) with the fungal pathogen Candida albicans using experiments and molecular simulations. Circular dichroism (CD) of the peptides revealed a structural transition from a random coil or weak helix to an α-helix occurs for all peptides when the solvent is changed from aqueous to hydrophobic. However, CD performed in the presence of C. albicans cells showed that proximity to the cell membrane is not necessarily sufficient to induce this structural transition, as penetratin, Pep-1, and MPG did not display a structural shift in the presence of cells. Monte Carlo simulations were performed to further probe the molecular-level interaction with the cell membrane, and these simulations suggested that pVEC, TP-10, MAP, and cecropin B strongly penetrate into the hydrophobic domain of the membrane lipid bilayer, inducing a transition to an α-helical conformation. In contrast, penetratin, Pep-1 and MPG remained in the hydrophilic region without a shift in conformation. The experimental data and MC simulations combine to explain how peptide structure affects their interaction with cells and their mechanism of translocation into cells (direct translocation vs. endocytosis). Our work also highlights the utility of combining biophysical experiments, biological experiments, and molecular modeling to understand biological phenomena. © 2017 The Protein Society.

  20. Experimental study of soil-structure interaction for proving the three dimensional thin layered element method

    International Nuclear Information System (INIS)

    Kuwabara, Y.; Ogiwara, Y.; Suzuki, T.; Tsuchiya, H.; Nakayama, M.

    1981-01-01

    It is generally recognized that the earthquake response of a structure can be significantly affected by the dynamic interaction between the structure and the surrounding soil. Dynamic soil-structure interaction effects are usually analyzed by using a lumped mass model or a finite element model. In the lumped mass model, the soil is represented by springs and dashpots based on the half-space elastic theory. Each model has its advantages and limitations. The Three Dimensional Thin Layered Element Theory has been developed by Dr. Hiroshi Tajimi based on the combined results of the abovementioned lumped mass model and finite element model. The main characteristic of this theory is that, in consideration and can be applied in the analysis of many problems in soil-structure interaction, such as those involving radiation damping, embedded structures, and multi-layered soil deposits. This paper describes test results on a small scale model used to prove the validity of the computer program based on the Thin Layered Element Theory. As a numerical example, the response analysis of a PWR nuclear power plant is carried out using this program. The vibration test model is simplified and the scale is 1/750 for line. The soil layer of the model is made of congealed gelatine. The test soil layer is 80 cm long, 35 cm wide and 10 cm thick. The super structure is a one mass model made of metal sheet spring and solid mass metal. As fixed inputs, sinusoidal waves (10, 20 gal level) are used. The displacements of the top and base of the super structure, and the accelerations and the displacements of the shaking table are measured. The main parameter of the test is the shear wave velocity of the soil layer. (orig./RW)

  1. Time-domain soil-structure interaction analysis of nuclear facilities

    International Nuclear Information System (INIS)

    Coleman, Justin L.; Bolisetti, Chandrakanth; Whittaker, Andrew S.

    2016-01-01

    The Nuclear Regulatory Commission (NRC) regulation 10 CFR Part 50 Appendix S requires consideration of soil-structure interaction (SSI) in nuclear power plant (NPP) analysis and design. Soil-structure interaction analysis for NPPs is routinely carried out using guidance provided in the ASCE Standard 4-98 titled “Seismic Analysis of Safety-Related Nuclear Structures and Commentary”. This Standard, which is currently under revision, provides guidance on linear seismic soil-structure-interaction (SSI) analysis of nuclear facilities using deterministic and probabilistic methods. A new appendix has been added to the forthcoming edition of ASCE Standard 4 to provide guidance for time-domain, nonlinear SSI (NLSSI) analysis. Nonlinear SSI analysis will be needed to simulate material nonlinearity in soil and/or structure, static and dynamic soil pressure effects on deeply embedded structures, local soil failure at the foundation-soil interface, nonlinear coupling of soil and pore fluid, uplift or sliding of the foundation, nonlinear effects of gaps between the surrounding soil and the embedded structure and seismic isolation systems, none of which can be addressed explicitly at present. Appendix B of ASCE Standard 4 provides general guidance for NLSSI analysis but will not provide a methodology for performing the analysis. This paper provides a description of an NLSSI methodology developed for application to nuclear facilities, including NPPs. This methodology is described as series of sequential steps to produce reasonable results using any time-domain numerical code. These steps require some numerical capabilities, such as nonlinear soil constitutive models, which are also described in the paper.

  2. Temporal variation in bat-fruit interactions: Foraging strategies influence network structure over time

    Science.gov (United States)

    Zapata-Mesa, Natalya; Montoya-Bustamante, Sebastián; Murillo-García, Oscar E.

    2017-11-01

    Mutualistic interactions, such as seed dispersal, are important for the maintenance of structure and stability of tropical communities. However, there is a lack of information about spatial and temporal variation in plant-animal interaction networks. Thus, our goal was to assess the effect of bat's foraging strategies on temporal variation in the structure and robustness of bat-fruit networks in both a dry and a rain tropical forest. We evaluated monthly variation in bat-fruit networks by using seven structure metrics: network size, average path length, nestedness, modularity, complementary specialization, normalized degree and betweenness centrality. Seed dispersal networks showed variations in size, species composition and modularity; did not present nested structures and their complementary specialization was high compared to other studies. Both networks presented short path lengths, and a constantly high robustness, despite their monthly variations. Sedentary bat species were recorded during all the study periods and occupied more central positions than nomadic species. We conclude that foraging strategies are important structuring factors that affect the dynamic of networks by determining the functional roles of frugivorous bats over time; thus sedentary bats are more important than nomadic species for the maintenance of the network structure, and their conservation is a must.

  3. Probing Induced Structural Changes in Biomimetic Bacterial Cell Membrane Interactions with Divalent Cations

    Energy Technology Data Exchange (ETDEWEB)

    Holt, Allison M [ORNL; Standaert, Robert F [ORNL; Jubb, Aaron M [ORNL; Katsaras, John [ORNL; Johs, Alexander [ORNL

    2017-01-01

    Biological membranes, formed primarily by the self-assembly of complex mixtures of phospholipids, provide a structured scaffold for compartmentalization and structural processes in living cells. The specific physical properties of phospholipid species present in a given membrane play a key role in mediating these processes. Phosphatidylethanolamine (PE), a zwitterionic lipid present in bacterial, yeast, and mammalian cell membranes, is exceptional. In addition to undergoing the standard lipid polymorphic transition between the gel and liquid-crystalline phase, it can also assume an unusual polymorphic state, the inverse hexagonal phase (HII). Divalent cations are among the factors that drive the formation of the HII phase, wherein the lipid molecules form stacked tubular structures by burying the hydrophilic head groups and exposing the hydrophobic tails to the bulk solvent. Most biological membranes contain a lipid species capable of forming the HII state suggesting that such lipid polymorphic structural states play an important role in structural biological processes such as membrane fusion. In this study, the interactions between Mg2+ and biomimetic bacterial cell membranes composed of PE and phosphatidylglycerol (PG) were probed using differential scanning calorimetry (DSC), small-angle x-ray scattering (SAXS), and fluorescence spectroscopy. The lipid phase transitions were examined at varying ratios of PE to PG and upon exposure to physiologically relevant concentrations of Mg2+. An understanding of these basic interactions enhances our understanding of membrane dynamics and how membrane-mediated structural changes may occur in vivo.

  4. The structure and institutions: a regional aspect of interaction in the economic system

    Directory of Open Access Journals (Sweden)

    Leonid Stepanovich Tarasevich

    2014-09-01

    Full Text Available In the article with the help of two-sector model of the economic system, the interaction of national and regional economy is investigated. This interaction is observed from the position of development of material structure and institutions. As the key structural parameter of an economy, the proportion between sector of excess resources and sector of scarce resources is taken. The situation when sector of excess resources prevails over sector of scarce resources forms structural conditions for the creation of the market institutions. If a sector of excess resources is smaller than a sector of scarce resources, the conditions for the emergence of institutions of government regulation are formed. Two cases are analyzed: the first one concerns the situation of a simple national economy consisting of 2 provisory regions. The second is the case of the national economy consisting of many regions. The authors show that material structure of a total combination of regions defines institutions of the market or state regulation for the national economy as a whole. The institutions formed at the level of the national economy, can support or resist the development of structure of the region. The conditions are observed under which united institutions of the national economy contradict a development of structure of the individual region.

  5. CONDENSED MATTER: STRUCTURE, THERMAL AND MECHANICAL PROPERTIES: Pair interaction of bilayer-coated nanoscopic particles

    Science.gov (United States)

    Zhang, Qi-Yi

    2009-02-01

    The pair interaction between bilayer membrane-coated nanosized particles has been explored by using the self-consistent field (SCF) theory. The bilayer membranes are composed of amphiphilic polymers. For different system parameters, the pair-interaction free energies are obtained. Particular emphasis is placed on the analysis of a sequence of structural transformations of bilayers on spherical particles, which occur during their approaching processes. For different head fractions of amphiphiles, the asymmetrical morphologies between bilayers on two particles and the inverted micellar intermediates have been found in the membrane fusion pathway. These results can benefit the fabrication of vesicles as encapsulation vectors for drug and gene delivery.

  6. Numerical modeling of interaction of the aircraft engine with concrete protective structures

    Science.gov (United States)

    Radchenko, P. A.; Batuev, S. P.; Radchenko, A. V.; Plevkov, V. S.

    2018-01-01

    The paper presents numerical modeling results considering interaction of Boeing 747 aircraft engine with nuclear power station protective shell. Protective shell has been given as a reinforced concrete structure with complex scheme of reinforcement. The engine has been simulated by cylinder projectile made from titanium alloy. The interaction velocity has comprised 180 m/s. The simulation is three-dimensional solved by finite element method using the author’s own software package EFES. Fracture and fragmentation of materials have been considered in calculations. Program software has been assessed to be used in calculation of multiple-contact objectives.

  7. Modeling of the interaction of a volumetric metallic metamaterial structure with a relativistic electron beam

    Directory of Open Access Journals (Sweden)

    Xueying Lu

    2015-08-01

    Full Text Available We present the design of a volumetric metamaterial (MTM structure and its interaction with a relativistic electron beam. This novel structure has promising applications in particle beam diagnostics, acceleration, and microwave generation. The volumetric MTM has a cubic unit cell allowing structures of arbitrary size to be configured as an array of identical cells. This structure allows the exploration of the properties of a metamaterial structure without having to consider substrates or other supporting elements. The dispersion characteristics of the unit cell are obtained using eigenmode simulations in the hfss code and also using an effective medium theory with spatial dispersion. Good agreement is obtained between these two approaches. The lowest-order mode of the MTM structure is found to have a negative group velocity in all directions of propagation. The frequency spectrum of the radiation from a relativistic electron beam passing through the MTM structure is calculated analytically and also calculated with the cst code, with very good agreement. The radiation pattern from the relativistic electron beam is found to be backward Cherenkov radiation, which is a promising tool for particle diagnostics. Calculations are also presented for the application of a MTM-based wakefield accelerator as a possible all-metal replacement for the conventional dielectric wakefield structure. The proposed structure may also be useful for MTM-based vacuum electron devices for microwave generation and amplification.

  8. Maternal mobile device use during a structured parent-child interaction task.

    Science.gov (United States)

    Radesky, Jenny; Miller, Alison L; Rosenblum, Katherine L; Appugliese, Danielle; Kaciroti, Niko; Lumeng, Julie C

    2015-01-01

    To examine associations of maternal mobile device use with the frequency of mother-child interactions during a structured laboratory task. Participants included 225 low-income mother-child pairs. When children were ∼6 years old, dyads were videotaped during a standardized protocol in order to characterize how mothers and children interacted when asked to try familiar and unfamiliar foods. From videotapes, we dichotomized mothers on the basis of whether or not they spontaneously used a mobile device, and we counted maternal verbal and nonverbal prompts toward the child. We used multivariate Poisson regression to study associations of device use with eating prompt frequency for different foods. Mothers were an average of 31.3 (SD 7.1) years old, and 28.0% were of Hispanic/nonwhite race/ethnicity. During the protocol, 23.1% of mothers spontaneously used a mobile device. Device use was not associated with any maternal characteristics, including age, race/ethnicity, education, depressive symptoms, or parenting style. Mothers with device use initiated fewer verbal (relative rate 0.80; 95% confidence interval 0.63, 1.03) and nonverbal (0.61; 0.39, 0.96) interactions with their children than mothers who did not use a device, when averaged across all foods. This association was strongest during introduction of halva, the most unfamiliar food (0.67; 0.48, 0.93 for verbal and 0.42; 0.20, 0.89 for nonverbal interactions). Mobile device use was common and associated with fewer interactions with children during a structured interaction task, particularly nonverbal interactions and during introduction of an unfamiliar food. More research is needed to understand how device use affects parent-child engagement in naturalistic contexts. Copyright © 2015 Academic Pediatric Association. Published by Elsevier Inc. All rights reserved.

  9. FTIR spectroscopy structural analysis of the interaction between Lactobacillus kefir S-layers and metal ions

    Science.gov (United States)

    Gerbino, E.; Mobili, P.; Tymczyszyn, E.; Fausto, R.; Gómez-Zavaglia, A.

    2011-02-01

    FTIR spectroscopy was used to structurally characterize the interaction of S-layer proteins extracted from two strains of Lactobacillus kefir (the aggregating CIDCA 8348 and the non-aggregating JCM 5818) with metal ions (Cd +2, Zn +2, Pb +2 and Ni +2). The infrared spectra indicate that the metal/protein interaction occurs mainly through the carboxylate groups of the side chains of Asp and Glut residues, with some contribution of the NH groups belonging to the peptide backbone. The frequency separation between the νCOO - anti-symmetric and symmetric stretching vibrations in the spectra of the S-layers in presence of the metal ions was found to be ca. 190 cm -1 for S-layer CIDCA 8348 and ca. 170 cm -1 for JCM 5818, denoting an unidentate coordination in both cases. Changes in the secondary structures of the S-layers induced by the interaction with the metal ions were also noticed: a general trend to increase the amount of β-sheet structures and to reduce the amount of α-helices was observed. These changes allow the proteins to adjust their structure to the presence of the metal ions at minimum energy expense, and accordingly, these adjustments were found to be more important for the bigger ions.

  10. Interaction between β-lactoglobulin and structurally different heteroexopolysaccharides investigated by solution scattering and analytical ultracentrifugation study

    DEFF Research Database (Denmark)

    Khan, Sanaullah; Birch, Johnny; Harris, Pernille

    Knowledge on molecular structure of exopolysaccharides (EPSs) and their roles in the associative interactions with proteins is essential to understand the relationship between their structure, physical and rheological properties. Despite their importance, no detailed molecular characterization...

  11. Response analysis of a nuclear containment structure with nonlinear soil-structure interaction under bi-directional ground motion

    Science.gov (United States)

    Kumar, Santosh; Raychowdhury, Prishati; Gundlapalli, Prabhakar

    2015-06-01

    Design of critical facilities such as nuclear power plant requires an accurate and precise evaluation of seismic demands, as any failure of these facilities poses immense threat to the community. Design complexity of these structures reinforces the necessity of a robust 3D modeling and analysis of the structure and the soil-foundation interface. Moreover, it is important to consider the multiple components of ground motion during time history analysis for a realistic simulation. Present study is focused on investigating the seismic response of a nuclear containment structure considering nonlinear Winkler-based approach to model the soil-foundation interface using a distributed array of inelastic springs, dashpots and gap elements. It is observed from this study that the natural period of the structure increases about 10 %, whereas the force demands decreases up to 24 % by considering the soil-structure interaction. Further, it is observed that foundation deformations, such as rotation and sliding are affected by the embedment ratio, indicating an increase of up to 56 % in these responses for a reduction of embedment from 0.5 to 0.05× the width of the footing.

  12. Soil-structure interaction effects for laterally excited liquid-tank system

    International Nuclear Information System (INIS)

    Tang, Yu; Veletsos, A.S.

    1992-01-01

    Following a brief review of the mechanical model for liquid-storage tanks which permits consideration of the effects of tank and ground flexibility, and lateral and rocking base excitations, the effects of both kinematic and inertia interaction effects on the response of the tank-liquid system are examined and elucidated. The free-field motion is defined by a power spectral density function and an incoherence function, which characterizes the spatial variability of the ground motion due to the vertically incident incoherence waves. The quantities examined are the ensemble means of the peak values of the response. The results are compared with those obtained for no soil-structure interaction and for kinematic interaction to elucidate the nature and relative importance of the two interactions. Only the impulsive actions are examined, the convective actions are for all practical purposes unaffected by both kinematic and inertia interactions. It is shown that the major reduction of the response is attributed to inertia interaction. 20 refs

  13. Probing nanoparticle-macromolecule interaction and resultant structure by small-angle neutron scattering

    International Nuclear Information System (INIS)

    Aswal, V.K.

    2013-01-01

    Nanoparticles display unique and distinct characteristics from those of their constituent atoms and bulk materials which are being employed in numerous applications in the fields of medicine, electronics, optics, communications, energy, environment etc. Many of these applications require adjoining of nanoparticles with macromolecules such as proteins, polymers and surfactants to obtain functional objects. For example, nanoparticle-protein complexes are of great importance in controlling enzymatic behavior, targeted drug delivery and developing biocompatible materials. The nanoparticles interfaced with polymers are shown to be useful in developing protein sensor arrays. Interaction of surfactants with nanoparticles is utilized extensively for technical and industrial applications associated with colloidal stability, detergency and design of nanostructured functional interfaces. The interaction of two components, nanoparticles and macromolecule, strongly depends on the characteristics of both the nanoparticles (size, shape, surface roughness, charge density etc.) and macromolecules (type, charge, shape and solution conditions etc.) used. The interaction of macromolecule on nanoparticle surface is a cumulative effect of a number of forces such as electrostatic force, covalent bonding, hydrogen bonding, non-polar interaction, hydrophobic interactions etc. These interactions depending on the system conditions can lead to various structures. Small-angle neutron scattering (SANS) with the possibility to vary contrast is an ideal technique to study such multi-component systems. In this talk, some of our results of SANS from the complexes of nanoparticle-protein and nanoparticle surfactant systems will be discussed. (author)

  14. Evaluation of Lagrangian, Eulerian, and arbitrary Lagrangian-Eulerian methods for fluid-structure interaction problems in HCDA analysis

    International Nuclear Information System (INIS)

    Chang, Y.W.; Chu, H.Y.; Gvildys, J.; Wang, C.Y.

    1979-01-01

    The analysis of fluid-structure interaction involves the calculation of both fluid transient and structure dynamics. In the structural analysis, Lagrangian meshes have been used exclusively, whereas for the fluid transient, Lagrangian, Eulerian, and arbitrary Lagrangian-Eulerian (quasi-Eulerian) meshes have been used. This paper performs an evaluation on these three types of meshes. The emphasis is placed on the applicability of the method in analyzing fluid-structure interaction problems in HCDA analysis

  15. 3D non-linear time domain FEM–BEM approach to soil–structure interaction problems

    OpenAIRE

    Romero Ordóñez, Antonio; Galvín, Pedro; Domínguez Abascal, José

    2013-01-01

    Dynamic soil-structure interaction is concerned with the study of structures supported on flexible soils and subjected to dynamic actions. Methods combining the finite element method (FEM) and the boundary element method (BEM) are well suited to address dynamic soil-structure interaction problems. Hence, FEM-BEM models have been widely used. However, non-linear contact conditions and non-linear behaviour of the structures have not usually been considered in the analyses. This paper ...

  16. Large-scale prediction of drug-target interactions using protein sequences and drug topological structures

    Energy Technology Data Exchange (ETDEWEB)

    Cao Dongsheng [Research Center of Modernization of Traditional Chinese Medicines, Central South University, Changsha 410083 (China); Liu Shao [Xiangya Hospital, Central South University, Changsha 410008 (China); Xu Qingsong [School of Mathematical Sciences and Computing Technology, Central South University, Changsha 410083 (China); Lu Hongmei; Huang Jianhua [Research Center of Modernization of Traditional Chinese Medicines, Central South University, Changsha 410083 (China); Hu Qiannan [Key Laboratory of Combinatorial Biosynthesis and Drug Discovery (Wuhan University), Ministry of Education, and Wuhan University School of Pharmaceutical Sciences, Wuhan 430071 (China); Liang Yizeng, E-mail: yizeng_liang@263.net [Research Center of Modernization of Traditional Chinese Medicines, Central South University, Changsha 410083 (China)

    2012-11-08

    Highlights: Black-Right-Pointing-Pointer Drug-target interactions are predicted using an extended SAR methodology. Black-Right-Pointing-Pointer A drug-target interaction is regarded as an event triggered by many factors. Black-Right-Pointing-Pointer Molecular fingerprint and CTD descriptors are used to represent drugs and proteins. Black-Right-Pointing-Pointer Our approach shows compatibility between the new scheme and current SAR methodology. - Abstract: The identification of interactions between drugs and target proteins plays a key role in the process of genomic drug discovery. It is both consuming and costly to determine drug-target interactions by experiments alone. Therefore, there is an urgent need to develop new in silico prediction approaches capable of identifying these potential drug-target interactions in a timely manner. In this article, we aim at extending current structure-activity relationship (SAR) methodology to fulfill such requirements. In some sense, a drug-target interaction can be regarded as an event or property triggered by many influence factors from drugs and target proteins. Thus, each interaction pair can be represented theoretically by using these factors which are based on the structural and physicochemical properties simultaneously from drugs and proteins. To realize this, drug molecules are encoded with MACCS substructure fingerings representing existence of certain functional groups or fragments; and proteins are encoded with some biochemical and physicochemical properties. Four classes of drug-target interaction networks in humans involving enzymes, ion channels, G-protein-coupled receptors (GPCRs) and nuclear receptors, are independently used for establishing predictive models with support vector machines (SVMs). The SVM models gave prediction accuracy of 90.31%, 88.91%, 84.68% and 83.74% for four datasets, respectively. In conclusion, the results demonstrate the ability of our proposed method to predict the drug

  17. Suspensions of polymer-grafted nanoparticles with added polymers-Structure and effective pair-interactions.

    Science.gov (United States)

    Chandran, Sivasurender; Saw, Shibu; Kandar, A K; Dasgupta, C; Sprung, M; Basu, J K

    2015-08-28

    We present the results of combined experimental and theoretical (molecular dynamics simulations and integral equation theory) studies of the structure and effective interactions of suspensions of polymer grafted nanoparticles (PGNPs) in the presence of linear polymers. Due to the absence of systematic experimental and theoretical studies of PGNPs, it is widely believed that the structure and effective interactions in such binary mixtures would be very similar to those of an analogous soft colloidal material-star polymers. In our study, polystyrene-grafted gold nanoparticles with functionality f = 70 were mixed with linear polystyrene (PS) of two different molecular weights for obtaining two PGNP:PS size ratios, ξ = 0.14 and 2.76 (where, ξ = Mg/Mm, Mg and Mm being the molecular weights of grafting and matrix polymers, respectively). The experimental structure factor of PGNPs could be modeled with an effective potential (Model-X), which has been found to be widely applicable for star polymers. Similarly, the structure factor of the blends with ξ = 0.14 could be modeled reasonably well, while the structure of blends with ξ = 2.76 could not be captured, especially for high density of added polymers. A model (Model-Y) for effective interactions between PGNPs in a melt of matrix polymers also failed to provide good agreement with the experimental data for samples with ξ = 2.76 and high density of added polymers. We tentatively attribute this anomaly in modeling the structure factor of blends with ξ = 2.76 to the questionable assumption of Model-X in describing the added polymers as star polymers with functionality 2, which gets manifested in both polymer-polymer and polymer-PGNP interactions especially at higher fractions of added polymers. The failure of Model-Y may be due to the neglect of possible many-body interactions among PGNPs mediated by matrix polymers when the fraction of added polymers is high. These observations point to the need for a new framework to

  18. Suspensions of polymer-grafted nanoparticles with added polymers—Structure and effective pair-interactions

    Science.gov (United States)

    Chandran, Sivasurender; Saw, Shibu; Kandar, A. K.; Dasgupta, C.; Sprung, M.; Basu, J. K.

    2015-08-01

    We present the results of combined experimental and theoretical (molecular dynamics simulations and integral equation theory) studies of the structure and effective interactions of suspensions of polymer grafted nanoparticles (PGNPs) in the presence of linear polymers. Due to the absence of systematic experimental and theoretical studies of PGNPs, it is widely believed that the structure and effective interactions in such binary mixtures would be very similar to those of an analogous soft colloidal material—star polymers. In our study, polystyrene-grafted gold nanoparticles with functionality f = 70 were mixed with linear polystyrene (PS) of two different molecular weights for obtaining two PGNP:PS size ratios, ξ = 0.14 and 2.76 (where, ξ = Mg/Mm, Mg and Mm being the molecular weights of grafting and matrix polymers, respectively). The experimental structure factor of PGNPs could be modeled with an effective potential (Model-X), which has been found to be widely applicable for star polymers. Similarly, the structure factor of the blends with ξ = 0.14 could be modeled reasonably well, while the structure of blends with ξ = 2.76 could not be captured, especially for high density of added polymers. A model (Model-Y) for effective interactions between PGNPs in a melt of matrix polymers also failed to provide good agreement with the experimental data for samples with ξ = 2.76 and high density of added polymers. We tentatively attribute this anomaly in modeling the structure factor of blends with ξ = 2.76 to the questionable assumption of Model-X in describing the added polymers as star polymers with functionality 2, which gets manifested in both polymer-polymer and polymer-PGNP interactions especially at higher fractions of added polymers. The failure of Model-Y may be due to the neglect of possible many-body interactions among PGNPs mediated by matrix polymers when the fraction of added polymers is high. These observations point to the need for a new framework

  19. Nuclear structure with unitarily transformed two-body plus phenomenological three-body interactions

    Energy Technology Data Exchange (ETDEWEB)

    Guenther, Anneke

    2011-02-02

    The importance of three-nucleon forces for a variety of nuclear structure phenomena is apparent in various investigations. This thesis provides a first step towards the inclusion of realistic three-nucleon forces by studying simple phenomenological threebody interactions. The Unitary Correlation Operator Method (UCOM) and the Similarity Renormalization Group (SRG) provide two different approaches to derive soft phase-shift equivalent nucleon-nucleon (NN) interactions via unitary transformations. Although their motivations are quite different the NN interactions obtained with the two methods exhibit some similarities. The application of the UCOM- or SRG-transformed Argonne V18 potential in the Hartree-Fock (HF) approximation and including the second-order energy corrections emerging from many-body perturbation theory (MBPT) reveals that the systematics of experimental ground-state energies can be reproduced by some of the interactions considering a series of closed-shell nuclei across the whole nuclear chart. However, charge radii are systematically underestimated, especially for intermediate and heavy nuclei. This discrepancy to experimental data is expected to result from neglected three-nucleon interactions. As first ansatz for a three-nucleon force, we consider a finite-range three-body interaction of Gaussian shape. Its influence on ground-state energies and charge radii is discussed in detail on the basis of HF plus MBPT calculations and shows a significant improvement in the description of experimental data. As the handling of the Gaussian three-body interaction is time-extensive, we show that it can be replaced by a regularized three-body contact interaction exhibiting a very similar behavior. An extensive study characterizes its properties in detail and confirms the improvements with respect to nuclear properties. To take into account information of an exact numerical solution of the nuclear eigenvalue problem, the No-Core Shell Model is applied to

  20. Interactions between Radial Electric Field, Transport and Structure in Helical Plasmas

    International Nuclear Information System (INIS)

    Ida, Katsumi and others

    2006-01-01

    Control of the radial electric field is considered to be important in helical plasmas, because the radial electric field and its shear are expected to reduce neoclassical and anomalous transport, respectively. Particle and heat transport, that determines the radial structure of density and electron profiles, sensitive to the structure of radial electric field. On the other hand, the radial electric field itself is determined by the plasma parameters. In general, the sign of the radial electric field is determined by the plasma collisionality, while the magnitude of the radial electric field is determined by the temperature and/or density gradients. Therefore the structure of radial electric field and temperature and density are strongly coupled through the particle and heat transport and formation mechanism of radial electric field. Interactions between radial electric field, transport and structure in helical plasmas is discussed based on the experiments on Large Helical Device

  1. Characterisation of fluid-structure interaction for water impact of composite panels

    Directory of Open Access Journals (Sweden)

    M Battley

    2016-09-01

    Full Text Available Hydrodynamic loads can be very significant for high performance marine vessels. Water impact of panels, known as "slamming", typically generates high magnitude short duration pressure pulses that move across the structure. In the case of compliant panels there can be significant coupling between the pressures and the structural responses. While there has been significant development of numerical methods to simulate this type of fluid-structure interaction there is only very limited experimental data available for validation of the simulation approaches. This paper describes an experimental study of sandwich composite panels subjected to water slamming impacts. The results demonstrate that compliant panels subjected to water slamming impacts experience different pressures than rigid panels, and have different structural responses than predicted by traditional uniform pressure based analysis approaches. The study also characterizes the significant effects that the dimensions of pressure transducers and data acquisition sampling rates have on the measured pressures.

  2. Competition between intermolecular interaction and configuration entropy as the structure-determining factor for inclusion compounds

    Energy Technology Data Exchange (ETDEWEB)

    Subbotin, O.; Belosludov, V.; Adamova, T. [Russian Academy of Science, Novosibirsk (Russian Federation). Nikolaev Inst. of Inorganic Chemistry; Belosludov, R.; Kawazoe, Y. [Tohoku Univ., Aoba-ku, Sendai (Japan). Inst. for Materials Research; Kudoh, J.I. [Tohoku Univ., Aoba-ku, Sendai (Japan). Center for Northeast Asia Studies

    2008-07-01

    This paper presented a newly developed method to accurately predict the thermodynamic properties of clathrate hydrates, particularly their structural phase transitions under pressure. The method is based on the theory of Van-der-Waals and Platteeuw with some modifications that include the influence of guest molecules on the host lattice. The model was used to explain the exception from the established rule that small guest molecules form structure s1 and large molecules form structure s2 hydrates. In this study, the thermodynamic properties of argon (Ar) hydrate and methane hydrate, each in both cubic structure s1 and s2 were modelled. The model showed that two competing factors play a role in the formation of inclusions, notably the intermolecular interaction of guest molecules with water molecules, and the configuration entropy. Competition of these 2 factors determines the structure of hydrate formed at different pressures. The model provides an accurate description of the thermodynamic properties of gas hydrates and how they behave under pressure. For the argon hydrates, the structural phase transition from structure s2 to s1 at high pressure was predicted, while methane hydrates were predicted to be metastable in the s2 structure. The model can be used for other inclusion compounds with the same type of composition such as clathrate silicon, zeolites, and inclusion compounds of semiconductor elements. 17 refs., 5 figs.

  3. Novel Structural Insights into GPCR-β-Arrestin Interaction and Signaling.

    Science.gov (United States)

    Ranjan, Ravi; Dwivedi, Hemlata; Baidya, Mithu; Kumar, Mohit; Shukla, Arun K

    2017-11-01

    G protein-coupled receptors (GPCRs) are major signal recognition and transmission units in the plasma membrane. The interaction of activated and phosphorylated GPCRs with the multifunctional adaptor proteins β-arrestins (βarrs) is crucial for regulation of their signaling and functional outcomes. Over the past few years, a range of structural, biochemical, and cellular studies have revealed novel insights into GPCR-βarr interaction and signaling. Some of these findings have come as a surprise and therefore have the potential to significantly refine the conceptual framework of the GPCR-βarr system. Here we discuss these recent advances with particular emphasis on biphasic GPCR-βarr interaction, the formation of GPCR-G-protein-βarr supercomplexes, and receptor-specific conformational signatures in βarrs. We also underline the emerging research areas that are likely to be at the center stage of investigations in the coming years. Copyright © 2017 Elsevier Ltd. All rights reserved.

  4. Structural study and investigation of NMR tensors in interaction of dopamine with Adenine and guanine

    Directory of Open Access Journals (Sweden)

    Lingjia Xu

    2007-04-01

    Full Text Available The interaction of dopamine with adenine and guanine were studied at the Hartree-Fock level theory. The structural and vibrational properties of dopamine-4-N7GUA and dopamine-4-N3ADE were studied at level of HF/6-31G*. Interaction energies (ΔE were calculated to be -11.49 and -11.92 kcal/mol, respectively. Some of bond lengths, angels and tortions are compared. NBO studies were performed to the second-order and perturbative estimates of donor-acceptor interaction have been done. The procedures of gauge-invariant atomic orbital (GIAO and continuous-set-of-gauge-transformation (CSGT were employed to calculate isotropic shielding, chemical shifts anisotropy and chemical shifts anisotropy asymmetry and effective anisotropy using 6-31G* basis set. These calculations yielded molecular geometries in good agreement with available experimental data.

  5. Detecting Structural Damage of Nuclear Power Plant by Interactive Data Mining Approach

    International Nuclear Information System (INIS)

    Yufei Shu

    2006-01-01

    This paper presents a nonlinear structural damage identification technique, based on an interactive data mining approach, which integrates a human cognitive model in a data mining loop. A mining control agent emulating human analysts is developed, which directly interacts with the data miner, analyzing and verifying the output of the data miner and controlling the data mining process. Additionally, an artificial neural network method, which is adopted as a core component of the proposed interactive data mining method, is evolved by adding a novelty detecting and retraining function for handling complicated nuclear power plant quake-proof data. Plant quake-proof testing data has been applied to the system to show the validation of the proposed method. (author)

  6. Resonant frequency of the silicon micro-structure of MEMS vector hydrophone in fluid-structure interaction

    Directory of Open Access Journals (Sweden)

    Guojun Zhang

    2015-04-01

    Full Text Available The MEMS vector hydrophone developed by the North University of China has advantages of high Signal to Noise Ratio, ease of array integration, etc. However, the resonance frequency of the MEMS device in the liquid is different from that in the air due to the fluid-structure interaction (FSI. Based on the theory of Fluid-Solid Coupling, a generalized distributed mass attached on the micro-structure has been found, which results in the resonance frequency of the microstructure in the liquid being lower than that in the air. Then, an FSI simulation was conducted by ANSYS software. Finally, the hydrophone was measured by using a shaking table and a vector hydrophone calibration system respectively. Results show that, due to the FSI, the resonance frequency of the MEMS devices of the bionic vector hydrophone in the liquid declines approximately 30% compared to the case in the air.

  7. Influence of degree correlations on network structure and stability in protein-protein interaction networks

    Directory of Open Access Journals (Sweden)

    Zimmer Ralf

    2007-08-01

    Full Text Available Abstract Background The existence of negative correlations between degrees of interacting proteins is being discussed since such negative degree correlations were found for the large-scale yeast protein-protein interaction (PPI network of Ito et al. More recent studies observed no such negative correlations for high-confidence interaction sets. In this article, we analyzed a range of experimentally derived interaction networks to understand the role and prevalence of degree correlations in PPI networks. We investigated how degree correlations influence the structure of networks and their tolerance against perturbations such as the targeted deletion of hubs. Results For each PPI network, we simulated uncorrelated, positively and negatively correlated reference networks. Here, a simple model was developed which can create different types of degree correlations in a network without changing the degree distribution. Differences in static properties associated with degree correlations were compared by analyzing the network characteristics of the original PPI and reference networks. Dynamics were compared by simulating the effect of a selective deletion of hubs in all networks. Conclusion Considerable differences between the network types were found for the number of components in the original networks. Negatively correlated networks are fragmented into significantly less components than observed for positively correlated networks. On the other hand, the selective deletion of hubs showed an increased structural tolerance to these deletions for the positively correlated networks. This results in a lower rate of interaction loss in these networks compared to the negatively correlated networks and a decreased disintegration rate. Interestingly, real PPI networks are most similar to the randomly correlated references with respect to all properties analyzed. Thus, although structural properties of networks can be modified considerably by degree

  8. Advances in Computational Fluid-Structure Interaction and Flow Simulation Conference

    CERN Document Server

    Takizawa, Kenji

    2016-01-01

    This contributed volume celebrates the work of Tayfun E. Tezduyar on the occasion of his 60th birthday. The articles it contains were born out of the Advances in Computational Fluid-Structure Interaction and Flow Simulation (AFSI 2014) conference, also dedicated to Prof. Tezduyar and held at Waseda University in Tokyo, Japan on March 19-21, 2014. The contributing authors represent a group of international experts in the field who discuss recent trends and new directions in computational fluid dynamics (CFD) and fluid-structure interaction (FSI). Organized into seven distinct parts arranged by thematic topics, the papers included cover basic methods and applications of CFD, flows with moving boundaries and interfaces, phase-field modeling, computer science and high-performance computing (HPC) aspects of flow simulation, mathematical methods, biomedical applications, and FSI. Researchers, practitioners, and advanced graduate students working on CFD, FSI, and related topics will find this collection to be a defi...

  9. Seismic Performance of the Pier Considering Structural-Fluid Interaction with ANSYS Software

    Directory of Open Access Journals (Sweden)

    Falahati M.

    2017-12-01

    Full Text Available In the present study, as the calculation of forces on the cylindrical structures of the sea has a special complexity, Morrison's mathematical model was used in the software. In addition, the kinematics of water particles is estimated to calculate their acceleration from the fifth-order non-static wave theory (Fenton method. In this paper, the analysis of the pier performance considering structural-fluid interaction using ANSYS soft is presented. Five models with the same period were considered and different wave heights and two different earthquake records of Tabas and Northwich were studied. Finally, node displacement, acceleration and reciprocal interaction forces were extracted and compared with the numerical values. The results indicated that the values of the studied parameters and the type of nodes were similar in the models without a record of earthquakes, but with the estimation of the earthquake, these values would be significant.

  10. An explicit method in non-linear soil-structure interaction

    International Nuclear Information System (INIS)

    Kunar, R.R.

    1981-01-01

    The explicit method of analysis in the time domain is ideally suited for the solution of transient dynamic non-linear problems. Though the method is not new, its application to seismic soil-structure interaction is relatively new and deserving of public discussion. This paper describes the principles of the explicit approach in soil-structure interaction and it presents a simple algorithm that can be used in the development of explicit computer codes. The paper also discusses some of the practical considerations like non-reflecting boundaries and time steps. The practicality of the method is demonstrated using a computer code, PRESS, which is used to compare the treatment of strain-dependent properties using average strain levels over the whole time history (the equivalent linear method) and using the actual strain levels at every time step to modify the soil properties (non-linear method). (orig.)

  11. Novel Cooperative Interactions and Structural Ordering in H[subscript 2]S-H[subscript 2

    Energy Technology Data Exchange (ETDEWEB)

    Strobel, Timothy A.; Ganesh, P.; Somayazulu, Maddury; Kent, P.R.C.; Hemley, Russell J. (ORNL); (CIW)

    2012-02-07

    Hydrogen sulfide (H{sub 2}S) and hydrogen (H{sub 2}) crystallize into a 'guest-host' structure at 3.5 GPa and, at the initial formation pressure, the rotationally disordered component molecules exhibit weak van der Waals-type interactions. With increasing pressure, hydrogen bonding develops and strengthens between neighboring H{sub 2}S molecules, reflected in a pronounced drop in S-H vibrational stretching frequency and also observed in first-principles calculations. At 17 GPa, an ordering process occurs where H{sub 2}S molecules orient themselves to maximize hydrogen bonding and H{sub 2} molecules simultaneously occupy a chemically distinct lattice site. Intermolecular forces in the H{sub 2}S+H{sub 2} system may be tuned with pressure from the weak hydrogen-bonding limit to the ordered hydrogen-bonding regime, resulting in a novel clathrate structure stabilized by cooperative interactions.

  12. Structural aspects of the interaction of dairy phages with their host bacteria.

    Science.gov (United States)

    Mahony, Jennifer; van Sinderen, Douwe

    2012-09-01

    Knowledge of phage-host interactions at a fundamental level is central to the design of rational strategies for the development of phage-resistant strains that may be applied in industrial settings. Phages infecting lactic acid bacteria, in particular Lactococcus lactis and Streptococcus thermophilus, negatively impact on dairy fermentation processes with serious economic implications. In recent years a wealth of information on structural protein assembly and topology has become available relating to phages infecting Escherichia coli, Bacillus subtilis and Lactococcus lactis, which act as models for structural analyses of dairy phages. In this review, we explore the role of model tailed phages, such as T4 and SPP1, in advancing our knowledge regarding interactions between dairy phages and their hosts. Furthermore, the potential of currently investigated dairy phages to in turn serve as model systems for this particular group of phages is discussed.

  13. Topology optimization of acoustic-structure interaction problems using a mixed finite element formulation

    DEFF Research Database (Denmark)

    Yoon, Gil Ho; Jensen, Jens Stissing; Sigmund, Ole

    2007-01-01

    The paper presents a gradient-based topology optimization formulation that allows to solve acoustic-structure (vibro-acoustic) interaction problems without explicit boundary interface representation. In acoustic-structure interaction problems, the pressure and displacement fields are governed...... given during the optimization process. In this paper we circumvent the explicit boundary representation by using a mixed finite element formulation with displacements and pressure as primary variables (a u/p-formulation). The Helmholtz equation is obtained as a special case of the mixed formulation...... for the elastic shear modulus equating to zero. Hence, by spatial variation of the mass density, shear and bulk moduli we are able to solve the coupled problem by the mixed formulation. Using this modelling approach, the topology optimization procedure is simply implemented as a standard density approach. Several...

  14. Investigations of the structure and electromagnetic interactions of few-body systems

    International Nuclear Information System (INIS)

    Lehman, D.R.; Haberzettl, H.; Maximon, L.C.; Parke, W.C.; Bennhold, C.; Ito, Hiroshi; Pratt, R.K.; Najmeddine, M.; Rakei, A.

    1993-07-01

    The emphasis of the nuclear theory group has been on the structure and electromagnetic interactions of few-body nuclei. Both low- and intermediate-energy electromagnetic disintegration of these nuclei is considered, including coherent photoproduction of π mesons. When the excitation energy of the target nucleus is low, the aim is to handle the continuum part of the theoretical work numerically with no approximations, that is, by means of full three- or four-body dynamics. When structure questions are the issue, numerically accurate calculations are always carried through, limited only by the underlying two-body or three-body interactions used as input. A central goal is to carry through state-of-the-art few-body calculations that will serve as a means of determining at what point standard nuclear physics requires introduction of relativity and/or quark degrees of freedom in order to understand the phenomena in question

  15. Emergence of three-dimensional flow structures in shock boundary layer interactions

    Science.gov (United States)

    Gs, Sidharth; Dwivedi, Anubhav; Nichols, Joseph; Jovanovic, Mihailo; Candler, Graham

    2017-11-01

    Experiments and computations point to the emergence of three-dimensional (3D) flow structures in laminar shock boundary layer interactions in various configurations. We examine a Mach 5 flow over a double compression ramp and reveal the presence of a bifurcation from a steady 2D to a steady 3D flow state. This is done by varying the relative angle of the two ramps which increases the interaction strength. We employ global linear stability analysis and direct numerical simulation to characterize this bifurcation and demonstrate that global instability induces 3D flow structures. We use the direct and adjoint linear equations to further investigate the origin of this instability and examine the influence of uncertainty (including the effect of geometric irregularities in the ramp and free-stream disturbances in wind tunnel) on this bifurcation. This work was supported by Office of Naval Research through Grant Number N00014-15-1-2522.

  16. Numerical Simulation for the Soil-Pile-Structure Interaction under Seismic Loading

    Directory of Open Access Journals (Sweden)

    Lifeng Luan

    2015-01-01

    Full Text Available Piles are widely used as reinforcement structures in geotechnical engineering designs. If the settlement of the soil is greater than the pile, the pile is pulled down by the soil, and negative friction force is produced. Previous studies have mainly focused on the interaction of pile-soil under static condition. However, many pile projects are located in earthquake-prone areas, which indicate the importance of determining the response of the pile-soil structure under seismic load. In this paper, the nonlinear, explicit, and finite difference program FLAC3D, which considers the mechanical behavior of soil-pile interaction, is used to establish an underconsolidated soil-pile mode. The response processes of the pile side friction force, the pile axial force, and the soil response under seismic load are also analyzed.

  17. Quantification of site-city interaction effects on the response of structure under double resonance condition

    Science.gov (United States)

    Kumar, Neeraj; Narayan, Jay Prakash

    2018-01-01

    This paper presents the site-city interaction (SCI) effects on the response of closely spaced structures under double resonance condition (F_{02{{D}}}^{{S}} = F_{02{{D}}}^{{B}}), where F_{02{{D}}}^{{S}} and F_{02{{D}}}^{{B}} are fundamental frequencies of 2-D structure and 2-D basin, respectively. This paper also presents the development of empirical relations to predict the F_{02{{D}}}^{{B}} of elliptical and trapezoidal basins for both the polarizations of the S wave. Simulated results revealed that F_{02{{D}}}^{{B}} of a 2-D basin very much depends on its geometry, shape ratio and polarization of the incident S wave. The obtained spectral amplification factor (SAF) at F_{02{{D}}}^{{S}} of a standalone structure in a 2-D basin is greater than that in the 1-D case under double resonance condition. A considerable reduction of the fundamental resonance frequency of structures due to the SCI effects is observed for both the polarizations of the S wave. The SAFs at F_{02{{D}}}^{{S}} of closely spaced structures due to SCI effects is larger in the case of SV than SH waves. A splitting of the fundamental-mode frequency bandwidth along with the drastic decrease of SAF due to the SCI effects is obtained. The findings of this paper raise the question concerning the validity of the predicted response of standalone structure based on soil-structure interaction for the design of structures in a 2-D small basin, in an urban environment.

  18. Fluid-Structure Interaction Analysis of Hydrofoils in a Pulsating Flow

    Directory of Open Access Journals (Sweden)

    Li Jiasheng

    2016-01-01

    Full Text Available The reduction of noise and vibration are very important in the design of hydrofoils. The current study focuses on establishing a theoretical and numerical model to investigate fluid-structure interaction caused by elastic hydrofoils in a pulsating flow. A fully coupled three dimensional boundary element method (BEM and finite element method (FEM code is applied to analyze the hydrodynamic performance. The numerical results show that the peak frequencies of the support reactions are related to the natural frequency of the hydrofoil. The natural frequencies and support reaction amplitudes are reduced significantly by including the fluid-structure coupling.

  19. Structural Basis for Specificity of Propeptide-Enzyme Interaction in Barley C1A Cysteine Peptidases

    Science.gov (United States)

    Cambra, Inés; Hernández, David; Diaz, Isabel; Martinez, Manuel

    2012-01-01

    C1A cysteine peptidases are synthesized as inactive proenzymes. Activation takes place by proteolysis cleaving off the inhibitory propeptide. The inhibitory capacity of propeptides from barley cathepsin L and B-like peptidases towards commercial and barley cathepsins has been characterized. Differences in selectivity have been found for propeptides from L-cathepsins against their cognate and non cognate enzymes. Besides, the propeptide from barley cathepsin B was not able to inhibit bovine cathepsin B. Modelling of their three-dimensional structures suggests that most propeptide inhibitory properties can be explained from the interaction between the propeptide and the mature cathepsin structures. Their potential use as biotechnological tools is discussed. PMID:22615948

  20. Adjoint shape optimization for fluid-structure interaction of ducted flows

    Science.gov (United States)

    Heners, J. P.; Radtke, L.; Hinze, M.; Düster, A.

    2018-03-01

    Based on the coupled problem of time-dependent fluid-structure interaction, equations for an appropriate adjoint problem are derived by the consequent use of the formal Lagrange calculus. Solutions of both primal and adjoint equations are computed in a partitioned fashion and enable the formulation of a surface sensitivity. This sensitivity is used in the context of a steepest descent algorithm for the computation of the required gradient of an appropriate cost functional. The efficiency of the developed optimization approach is demonstrated by minimization of the pressure drop in a simple two-dimensional channel flow and in a three-dimensional ducted flow surrounded by a thin-walled structure.

  1. Application of the SASSI soil structure interaction method to CANDU 6 NPP seismic analysis

    International Nuclear Information System (INIS)

    Ricciuti, R.A.; Elgohary, M.; Usmani, S.A.

    1996-01-01

    The standard CANDU 6 NPP has been conservatively qualified for a Design Basis Earthquake (DBE) peak horizontal ground acceleration of 0.2 g. Currently there are potential opportunities for siting the CANDU 6 at higher seismicity sites. In order to be able to extend the use of a standardized design for sites with higher seismicity than the standard plant, various design options, including the use of the SASSI Soil Structure Interaction (SSI) analysis method, are being evaluated. This paper presents the results of a study to assess the potential benefits from utilization of the SASSI computer program and the use of more realistic damping ratios for the structures

  2. Mass spectrometry in structural biology and biophysics architecture, dynamics, and interaction of biomolecules

    CERN Document Server

    Kaltashov, Igor A; Desiderio, Dominic M; Nibbering, Nico M

    2012-01-01

    The definitive guide to mass spectrometry techniques in biology and biophysics The use of mass spectrometry (MS) to study the architecture and dynamics of proteins is increasingly common within the biophysical community, and Mass Spectrometry in Structural Biology and Biophysics: Architecture, Dynamics, and Interaction of Biomolecules, Second Edition provides readers with detailed, systematic coverage of the current state of the art. Offering an unrivalled overview of modern MS-based armamentarium that can be used to solve the most challenging problems in biophysics, structural biol

  3. Structural basis for specificity of propeptide-enzyme interaction in barley C1A cysteine peptidases.

    Science.gov (United States)

    Cambra, Inés; Hernández, David; Diaz, Isabel; Martinez, Manuel

    2012-01-01

    C1A cysteine peptidases are synthesized as inactive proenzymes. Activation takes place by proteolysis cleaving off the inhibitory propeptide. The inhibitory capacity of propeptides from barley cathepsin L and B-like peptidases towards commercial and barley cathepsins has been characterized. Differences in selectivity have been found for propeptides from L-cathepsins against their cognate and non cognate enzymes. Besides, the propeptide from barley cathepsin B was not able to inhibit bovine cathepsin B. Modelling of their three-dimensional structures suggests that most propeptide inhibitory properties can be explained from the interaction between the propeptide and the mature cathepsin structures. Their potential use as biotechnological tools is discussed.

  4. Adjoint shape optimization for fluid-structure interaction of ducted flows

    Science.gov (United States)

    Heners, J. P.; Radtke, L.; Hinze, M.; Düster, A.

    2017-08-01

    Based on the coupled problem of time-dependent fluid-structure interaction, equations for an appropriate adjoint problem are derived by the consequent use of the formal Lagrange calculus. Solutions of both primal and adjoint equations are computed in a partitioned fashion and enable the formulation of a surface sensitivity. This sensitivity is used in the context of a steepest descent algorithm for the computation of the required gradient of an appropriate cost functional. The efficiency of the developed optimization approach is demonstrated by minimization of the pressure drop in a simple two-dimensional channel flow and in a three-dimensional ducted flow surrounded by a thin-walled structure.

  5. On the interaction between structure and oil film of a guide shoe bearing

    DEFF Research Database (Denmark)

    Vølund, Anders

    2001-01-01

    A solution procedure for the determination of the oil film thickness of a guide shoe bearing for a large two stroke marine diesel engine is presented. Based on a previous study considering oil film thickness of a guide shoe bearing with rigid structural parts a model for the interaction between...... structure and oil film is implemented. The model takes into account the elastic deformation of the bearing parts. An iterative procedure for determining pressure, deformation and squeeze velocity is applied. The results are compared to a traditional calculation of rigid components. The model...

  6. Investigation of prescribed movement in fluid–structure interaction simulation for the human phonation process☆

    Science.gov (United States)

    Zörner, S.; Kaltenbacher, M.; Döllinger, M.

    2013-01-01

    In a partitioned approach for computational fluid–structure interaction (FSI) the coupling between fluid and structure causes substantial computational resources. Therefore, a convenient alternative is to reduce the problem to a pure flow simulation with preset movement and applying appropriate boundary conditions. This work investigates the impact of replacing the fully-coupled interface condition with a one-way coupling. To continue to capture structural movement and its effect onto the flow field, prescribed wall movements from separate simulations and/or measurements are used. As an appropriate test case, we apply the different coupling strategies to the human phonation process, which is a highly complex interaction of airflow through the larynx and structural vibration of the vocal folds (VF). We obtain vocal fold vibrations from a fully-coupled simulation and use them as input data for the simplified simulation, i.e. just solving the fluid flow. All computations are performed with our research code CFS++, which is based on the finite element (FE) method. The presented results show that a pure fluid simulation with prescribed structural movement can substitute the fully-coupled approach. However, caution must be used to ensure accurate boundary conditions on the interface, and we found that only a pressure driven flow correctly responds to the physical effects when using specified motion. PMID:24204083

  7. A Finite Element Procedure for Calculating Fluid-Structure Interaction Using MSC/NASTRAN

    Science.gov (United States)

    Chargin, Mladen; Gartmeier, Otto

    1990-01-01

    This report is intended to serve two purposes. The first is to present a survey of the theoretical background of the dynamic interaction between a non-viscid, compressible fluid and an elastic structure is presented. Section one presents a short survey of the application of the finite element method (FEM) to the area of fluid-structure-interaction (FSI). Section two describes the mathematical foundation of the structure and fluid with special emphasis on the fluid. The main steps in establishing the finite element (FE) equations for the fluid structure coupling are discussed in section three. The second purpose is to demonstrate the application of MSC/NASTRAN to the solution of FSI problems. Some specific topics, such as fluid structure analogy, acoustic absorption, and acoustic contribution analysis are described in section four. Section five deals with the organization of the acoustic procedure flowchart. Section six includes the most important information that a user needs for applying the acoustic procedure to practical FSI problems. Beginning with some rules concerning the FE modeling of the coupled system, the NASTRAN USER DECKs for the different steps are described. The goal of section seven is to demonstrate the use of the acoustic procedure with some examples. This demonstration includes an analytic verification of selected FE results. The analytical description considers only some aspects of FSI and is not intended to be mathematically complete. Finally, section 8 presents an application of the acoustic procedure to vehicle interior acoustic analysis with selected results.

  8. Influence of Fluid–Thermal–Structural Interaction on Boundary Layer Flow in Rectangular Supersonic Nozzles

    Directory of Open Access Journals (Sweden)

    Kalyani Bhide

    2018-03-01

    Full Text Available The aim of this work is to highlight the significance of Fluid–Thermal–Structural Interaction (FTSI as a diagnosis of existing designs, and as a means of preliminary investigation to ensure the feasibility of new designs before conducting experimental and field tests. The novelty of this work lies in the multi-physics simulations, which are, for the first time, performed on rectangular nozzles. An existing experimental supersonic rectangular converging/diverging nozzle geometry is considered for multi-physics 3D simulations. A design that has been improved by eliminating the sharp throat is further investigated to evaluate its structural integrity at design Nozzle Pressure Ratio (NPR 3.67 and off-design (NPR 4.5 conditions. Static structural analysis is performed by unidirectional coupling of pressure loads from steady 3D Computational Fluid Dynamics (CFD and thermal loads from steady thermal conduction simulations, such that the simulations represent the experimental set up. Structural deformation in the existing design is far less than the boundary layer thickness, because the impact of Shock wave Boundary Layer Interaction (SBLI is not as severe. FTSI demonstrates that the discharge coefficient of the improved design is 0.99, and its structural integrity remains intact at off-design conditions. This proves the feasibility of the improved design. Although FTSI influence is shown for a nozzle, the approach can be applied to any product design cycle, or as a prelude to building prototypes.

  9. 3Drefine: an interactive web server for efficient protein structure refinement.

    Science.gov (United States)

    Bhattacharya, Debswapna; Nowotny, Jackson; Cao, Renzhi; Cheng, Jianlin

    2016-07-08

    3Drefine is an interactive web server for consistent and computationally efficient protein structure refinement with the capability to perform web-based statistical and visual analysis. The 3Drefine refinement protocol utilizes iterative optimization of hydrogen bonding network combined with atomic-level energy minimization on the optimized model using a composite physics and knowledge-based force fields for efficient protein structure refinement. The method has been extensively evaluated on blind CASP experiments as well as on large-scale and diverse benchmark datasets and exhibits consistent improvement over the initial structure in both global and local structural quality measures. The 3Drefine web server allows for convenient protein structure refinement through a text or file input submission, email notification, provided example submission and is freely available without any registration requirement. The server also provides comprehensive analysis of submissions through various energy and statistical feedback and interactive visualization of multiple refined models through the JSmol applet that is equipped with numerous protein model analysis tools. The web server has been extensively tested and used by many users. As a result, the 3Drefine web server conveniently provides a useful tool easily accessible to the community. The 3Drefine web server has been made publicly available at the URL: http://sysbio.rnet.missouri.edu/3Drefine/. © The Author(s) 2016. Published by Oxford University Press on behalf of Nucleic Acids Research.

  10. The structure of selective dinucleotide interactions and periodicities in D melanogaster mtDNA

    Directory of Open Access Journals (Sweden)

    Carlos Y Valenzuela

    2014-01-01

    Full Text Available BACKGROUND: We found a strong selective 3-sites periodicity of deviations from randomness of the dinucleotide (DN distribution, where both bases of DN were separated by 1, 2, K sites in prokaryotes and mtDNA. Three main aspects are studied. I the specific 3 K-sites periodic structure of the 16 DN. II to discard the possibility that the periodicity was produced by the highly nonrandom interactive association of contiguous bases, by studying the interaction of non-contiguous bases, the first one chosen each I sites and the second chosen J sites downstream. III the difference between this selective periodicity of association (distance to randomness of the four bases with the described fixed periodicities of base sequences. RESULTS: I The 16 pairs presented a consistent periodicity in the strength of association of both bases of the pairs; the most deviated pairs are those where G and C are involved and the least deviated ones are those where A and T are involved. II we found significant non-random interactions when the first nucleotide is chosen every I sites and the second J sites downstream until I = J = 76. III we showed conclusive differences between these internucleotide association periodicities and sequence periodicities. CONCLUSIONS: This relational selective periodicity is different from sequence periodicities and indicates that any base strongly interacts with the bases of the residual genome; this interaction and periodicity is highly structured and systematic for every pair of bases. This interaction should be destroyed in few generations by recurrent mutation; it is only compatible with the Synthetic Theory of Evolution and agrees with the Wright's adaptive landscape conception and evolution by shifting balanced adaptive peaks.

  11. Interactions between Intracellular Domains as Key Determinants of the Quaternary Structure and Function of Receptor Heteromers*

    Science.gov (United States)

    Navarro, Gemma; Ferré, Sergi; Cordomi, Arnau; Moreno, Estefania; Mallol, Josefa; Casadó, Vicent; Cortés, Antoni; Hoffmann, Hanne; Ortiz, Jordi; Canela, Enric I.; Lluís, Carme; Pardo, Leonardo; Franco, Rafael; Woods, Amina S.

    2010-01-01

    G protein-coupled receptor (GPCR) heteromers are macromolecular complexes with unique functional properties different from those of its individual protomers. Little is known about what determines the quaternary structure of GPCR heteromers resulting in their unique functional properties. In this study, using resonance energy transfer techniques in experiments with mutated receptors, we provide for the first time clear evidence for a key role of intracellular domains in the determination of the quaternary structure of GPCR heteromers between adenosine A2A, cannabinoid CB1, and dopamine D2 receptors. In these interactions, arginine-rich epitopes form salt bridges with phosphorylated serine or threonine residues from CK1/2 consensus sites. Each receptor (A2A, CB1, and D2) was found to include two evolutionarily conserved intracellular domains to establish selective electrostatic interactions with intracellular domains of the other two receptors, indicating that these particular electrostatic interactions constitute a general mechanism for receptor heteromerization. Mutation experiments indicated that the interactions of the intracellular domains of the CB1 receptor with A2A and D2 receptors are fundamental for the correct formation of the quaternary structure needed for the function (MAPK signaling) of the A2A-CB1-D2 receptor heteromers. Analysis of MAPK signaling in striatal slices of CB1 receptor KO mice and wild-type littermates supported the existence of A1-CB1-D2 receptor heteromer in the brain. These findings allowed us to propose the first molecular model of the quaternary structure of a receptor heteromultimer. PMID:20562103

  12. List of soils, soil-structure interaction and other related computer programs available for LMVD engineers

    Science.gov (United States)

    Radhakrishnan, N.; Senter, P. K.

    1981-05-01

    This report presents a list of soils, soil-structure interaction, and other related computer programs available for engineers of the Lower Mississippi Valley Division. Programs for use in the following subject areas are listed: T-walls; slope stability; piles; sheet piles, and cells; seepage; stress computation, settlement, and consolidation; piezometer data; instrumentation and laboratory data; plotting programs; finite element and finite difference methods; earthquakes and dynamics; and others. Also included are abstracts of some of the listed programs.

  13. Formation of chain structures in systems of charged grains interacting via isotropic pair potentials

    Energy Technology Data Exchange (ETDEWEB)

    Vaulina, O. S.; Lisina, I. I.; Koss, K. G., E-mail: Xeniya.Koss@gmail.com [Russian Academy of Sciences, Joint Institute for High Temperatures (Russian Federation)

    2013-05-15

    Conditions for the formation of chain structures of charged grains confined in the gravitational field by external electric fields are studied analytically and numerically. The relationships between the parameters of the pair interaction potential, the number of grains, and the electric field gradient in the trap are found. A criterion for the violation of stable equilibrium in a quasi-one-dimensional chain of grains and the formation of a new configuration in the system is proposed.

  14. Controlling the Electronic Structure of Graphene Using Surface-Adsorbate Interactions

    Science.gov (United States)

    2015-07-21

    able to achieve relatively good control over the concentration of defects in graphene by introducing oxide impurities into the Ni(111) substrate and...1 Controlling the electronic structure of graphene using surface-adsorbate interactions Piotr Matyba, Adra V. Carr, Cong Chen, David L. Miller...atomic orbitals in graphene on Ni(111) opens a large energy gap of ≈2.8 eV between non-hybridized states at the K-point. Here we use alkali metal

  15. Interaction of vector solitons and beam break up at thin film gallium-silica waveguide structure

    Energy Technology Data Exchange (ETDEWEB)

    Sharma, Arvind, E-mail: arvindsharma230771@gmail.com; Nagar, A. K., E-mail: ajaya.nagar@gmail.com [Department of Physics, Govt. Dungar College Bikaner, Rajasthan (India)

    2016-05-06

    We investigate the interaction of optical vector soliton with a symmetric thin-film gallium-silica waveguide structure using the equivalent particle theory. The relevant nonlinear Schrodinger equation has been solved by the method of phase plane analysis. The analysis shows beam break up into transmitted, reflected and nonlinear surface waves at the interface. The stability properties of the solitons so formed have been discussed.

  16. Analysis, Control and Inverse Theory of Fluids,Waves, Materials Structures, and theirInteractions

    Science.gov (United States)

    2015-07-06

    on a Riemannian manifold (so that also the variable coefficient case in included) by means of just one boundary observation /measurement acting on...specialization of the known optimal control or min-max game theory of parabolic problems of the literature B) Area concerning flow-structure interaction...of a perturbed wave equation coupled at the interface with a nonlinear plate. The main findings are as follows: 1. In the subsonic regime: It is

  17. Diatheses to Depression: The Interactions of Schema Propositions, Schema Structure, and Negative Life Events

    OpenAIRE

    Cankaya, Banu

    2006-01-01

    Drawing from the meta-construct model of cognition (Ingram, 1984; Ingram & Kendall, 1986), the goal of the present study was to examine whether the structural (i.e., self-complexity; SC, Linville, 1985) and propositional components of schemas (dysfunctional attitudes; DAS, Weissman & Beck, 1978), independently and in interaction with each other and stressors, lead to changes in depressive symptoms. The prediction was that if negative self-attributes across different self-aspects in a specifi...

  18. Role of Acoustoelectric Interaction in the Formation of Nanoscale Periodic Structures of Adsorbed Atoms

    Energy Technology Data Exchange (ETDEWEB)

    Peleshchak, R. M., E-mail: peleshchak@rambler.ru; Lazurchak, I. I.; Kuzyk, O. V.; Dan’kiv, O. O. [Ivan Franko Drohobych State Pedagogical University (Ukraine); Zegrya, G. G. [Russian Academy of Sciences, Ioffe Physical–Technical Institute (Russian Federation)

    2016-03-15

    The role of acoustoelectric effects in the formation of nanoscale structures of adatoms, resulting from the self-consistent interaction of adatoms with a surface acoustic wave and the electronic subsystem, is studied for the case of charged and uncharged adatoms. It is shown that an increase in the doping level of a semiconductor with donor impurities at a fixed average adatom concentration results in an increase in the critical temperature below which self-organization processes occur.

  19. Coordinated development of muscles and tendon-like structures: early interactions in the Drosophila leg

    Directory of Open Access Journals (Sweden)

    cedric esoler

    2016-02-01

    Full Text Available The formation of the musculoskeletal system is a remarkable example of tissue assembly. In both vertebrates and invertebrates, precise connectivity between muscles and skeleton (or exoskeleton via tendons or equivalent structures is fundamental for movement and stability of the body. The molecular and cellular processes underpinning muscle formation are well established and significant advances have been made in understanding tendon development. However, the mechanisms contributing to proper connection between these two tissues have received less attention. Observations of coordinated development of tendons and muscles suggest these tissues may interact during the different steps in their development. There is growing evidence that, depending on animal model and muscle type, these interactions can take place from progenitor induction to the final step of the formation of the musculoskeletal system. Here we briefly review and compare the mechanisms behind muscle and tendon interaction throughout the development of vertebrates and Drosophila before going on to discuss our recent findings on the coordinated development of muscles and tendon-like structures in Drosophila leg. By altering apodeme formation (the functional Drosophila equivalent of tendons in vertebrates during the early steps of leg development, we affect the spatial localisation of subsequent myoblasts. These findings provide the first evidence of the developmental impact of early interactions between muscle and tendon-like precursors, and confirm the appendicular Drosophila muscle system as a valuable model for studying these processes.

  20. Exploring hierarchical and overlapping modular structure in the yeast protein interaction network

    Directory of Open Access Journals (Sweden)

    Zhao Yi

    2010-12-01

    Full Text Available Abstract Background Developing effective strategies to reveal modular structures in protein interaction networks is crucial for better understanding of molecular mechanisms of underlying biological processes. In this paper, we propose a new density-based algorithm (ADHOC for clustering vertices of a protein interaction network using a novel subgraph density measurement. Results By statistically evaluating several independent criteria, we found that ADHOC could significantly improve the outcome as compared with five previously reported density-dependent methods. We further applied ADHOC to investigate the hierarchical and overlapping modular structure in the yeast PPI network. Our method could effectively detect both protein modules and the overlaps between them, and thus greatly promote the precise prediction of protein functions. Moreover, by further assaying the intermodule layer of the yeast PPI network, we classified hubs into two types, module hubs and inter-module hubs. Each type presents distinct characteristics both in network topology and biological functions, which could conduce to the better understanding of relationship between network architecture and biological implications. Conclusions Our proposed algorithm based on the novel subgraph density measurement makes it possible to more precisely detect hierarchical and overlapping modular structures in protein interaction networks. In addition, our method also shows a strong robustness against the noise in network, which is quite critical for analyzing such a high noise network.

  1. Applicability of soil-structure interaction analysis methods for earthquake loadings (V)

    Energy Technology Data Exchange (ETDEWEB)

    Chang, S. P.; Ko, H. M.; Kim, J. K.; Yoon, J. Y.; Chin, B. M.; Yang, T. S.; Park, J. Y.; Cho, J. R.; Ryu, H. [Korea Electrical Engineering and Science Research Institute, Seoul (Korea, Republic of)

    1997-07-15

    The ultimate goals of this research are to cultivate the capability of accurate 551 analysis and to develop the effective soil-structure interaction analysis method and computer program by comparing analysis results obtained in Lotung/Hualien lS5T project. In this research, the scope of this study is to establish the method of soil-structure interaction analysis using hyperlement and to develop a computer program of 551 analysis, to do parametric study for the comprehension of the characteristics and the applicability of hyper elements and to verify the validity and the applicability of this method(or program) through the analysis of seismic response of Hualien lS5T project. In this study, we verified the validity and the efficiency of the soil-structure interaction analysis method using hyper elements and developed computer programs using hyper elements. Based on the I-dimensional wave propagation theory, we developed a computer program of free-field analysis considering the primary non-lineriry of seismic responses. And using this program, we computed the effective ground earthquake motions of soil regions. The computer programs using hyper elements can treat non-homogeneity of soil regions very easily and perform the analysis quickly by the usage of the analytical solutions in horizontal direction. 50 this method would be very efficient and practical method.

  2. Exploring overlapping functional units with various structure in protein interaction networks.

    Directory of Open Access Journals (Sweden)

    Xiao-Fei Zhang

    Full Text Available Revealing functional units in protein-protein interaction (PPI networks are important for understanding cellular functional organization. Current algorithms for identifying functional units mainly focus on cohesive protein complexes which have more internal interactions than external interactions. Most of these approaches do not handle overlaps among complexes since they usually allow a protein to belong to only one complex. Moreover, recent studies have shown that other non-cohesive structural functional units beyond complexes also exist in PPI networks. Thus previous algorithms that just focus on non-overlapping cohesive complexes are not able to present the biological reality fully. Here, we develop a new regularized sparse random graph model (RSRGM to explore overlapping and various structural functional units in PPI networks. RSRGM is principally dominated by two model parameters. One is used to define the functional units as groups of proteins that have similar patterns of connections to others, which allows RSRGM to detect non-cohesive structural functional units. The other one is used to represent the degree of proteins belonging to the units, which supports a protein belonging to more than one revealed unit. We also propose a regularizer to control the smoothness between the estimators of these two parameters. Experimental results on four S. cerevisiae PPI networks show that the performance of RSRGM on detecting cohesive complexes and overlapping complexes is superior to that of previous competing algorithms. Moreover, RSRGM has the ability to discover biological significant functional units besides complexes.

  3. PAIRpred: partner-specific prediction of interacting residues from sequence and structure.

    Science.gov (United States)

    Minhas, Fayyaz ul Amir Afsar; Geiss, Brian J; Ben-Hur, Asa

    2014-07-01

    We present a novel partner-specific protein-protein interaction site prediction method called PAIRpred. Unlike most existing machine learning binding site prediction methods, PAIRpred uses information from both proteins in a protein complex to predict pairs of interacting residues from the two proteins. PAIRpred captures sequence and structure information about residue pairs through pairwise kernels that are used for training a support vector machine classifier. As a result, PAIRpred presents a more detailed model of protein binding, and offers state of the art accuracy in predicting binding sites at the protein level as well as inter-protein residue contacts at the complex level. We demonstrate PAIRpred's performance on Docking Benchmark 4.0 and recent CAPRI targets. We present a detailed performance analysis outlining the contribution of different sequence and structure features, together with a comparison to a variety of existing interface prediction techniques. We have also studied the impact of binding-associated conformational change on prediction accuracy and found PAIRpred to be more robust to such structural changes than existing schemes. As an illustration of the potential applications of PAIRpred, we provide a case study in which PAIRpred is used to analyze the nature and specificity of the interface in the interaction of human ISG15 protein with NS1 protein from influenza A virus. Python code for PAIRpred is available at http://combi.cs.colostate.edu/supplements/pairpred/. © 2013 Wiley Periodicals, Inc.

  4. The crystal structure of sulfamethoxazole, interaction with DNA, DFT calculation, and molecular docking studies.

    Science.gov (United States)

    Das, Dipankar; Sahu, Nilima; Roy, Suman; Dutta, Paramita; Mondal, Sudipa; Torres, Elena L; Sinha, Chittaranjan

    2015-02-25

    Sulfamethoxazole (SMX) [4-amino-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide] is structurally established by single crystal X-ray diffraction measurement. The crystal packing shows H-bonded 2D polymer through N(7)-H(7A)-O(2), N(7)-H(7B)-O(3), N(1)-H(1)-N(2), C(5)-H(5)-O(3)-S(1) and N(7)-(H7A)-O(2)-S(1). Density Functional Theory (DFT) and Time Dependent-DFT (TD-DFT) computations of optimized structure of SMX determine the electronic structure and has explained the electronic spectral transitions. The interaction of SMX with CT-DNA has been studied by absorption spectroscopy and the binding constant (Kb) is 4.37×10(4)M(-1). The in silico test of SMX with DHPS from Escherichia coli and Streptococcus pneumoniae helps to understand drug metabolism and accounts the drug-molecule interactions. The molecular docking of SMX-DNA also helps to predict the interaction feature. Copyright © 2014 Elsevier B.V. All rights reserved.

  5. Soil structure interaction analysis for the Hanford Site 241-SY-101 double-shell waste storage tanks

    International Nuclear Information System (INIS)

    Giller, R.A.; Weiner, E.O.

    1991-09-01

    The 241-SY-101 tank is a double-shell waste storage tank buried in the 241-SY tank farm in the 200 West Area of the Hanford Site. This analysis addresses the effects of seismic soil-structure interaction on the tank structure and includes a parametric soil-structure interaction study addressing three configurations: two-dimensional soil structure, a two-dimensional structure-soil-structure, and a three-dimensional soil-structure interaction. This study was designed to determine an optimal method for addressing seismic-soil effects on underground storage tanks. The computer programs calculate seismic-soil pressures on the double-shell tank walls and and seismic acceleration response spectra in the tank. The results of this soil-structure interaction parametric study as produced by the computer programs are given in terms of seismic soil pressures and response spectra. The conclusions of this soil-structure interaction evaluation are that dynamically calculated soil pressures in the 241-SY-101 tank are significantly reduce from those using standard hand calculation methods and that seismic evaluation of underground double-shell waste storage tanks must consider soil-structure interaction effects in order to predict conservative structural response. Appendixes supporting this study are available in Volume 2 of this report

  6. Interactions between radionuclides and organic colloids. Structure and reactivity of humic compounds; Interactions entre radionucleides et colloides organiques. Structure et reactivite des substances humiques

    Energy Technology Data Exchange (ETDEWEB)

    Plancque, G

    2001-09-01

    Humic compounds are the main organic colloids present in natural waters. These compounds can significantly modify the speciation of metals and control their properties, like migration, toxicity or bio-availability. It is thus important to study their speciation in conditions representative to those encountered in the natural environment. The aim of this work is to analyze the reactivity of these humic compounds. Two spectroscopic techniques have been used: the time-resolution laser spectro-fluorimetry, limited to the study of fluorescent elements, and the electro-spray source mass spectroscopy which requires the development of specific protocols for all elements of the periodic classification system. Europium, a fluorescent element analogue to trivalent actinides, has been chosen as test-metal for the intercomparison of both spectroscopic techniques. The first technique has permitted to determine the inorganic and organic speciation (spectra and lifetime of europium hydroxides and carbonates, and constants of interaction with humic acids, respectively). The limitations of this technique in the study of inorganic speciation has been evidenced. Humic compounds have a badly defined structure. The use of high-resolution mass spectroscopy has permitted to propose in a direct and experimental way, a molecular structure of aquatic fulvic acids in agreement with their known physico-chemical properties. (J.S.)

  7. Magneto-elastic interaction in cubic helimagnets with B20 structure

    International Nuclear Information System (INIS)

    Maleyev, S V

    2009-01-01

    The magneto-elastic interaction in cubic helimagnets with B 20 symmetry is considered. It is shown that this interaction is responsible for a negative contribution to the square of the spin-wave gap Δ and it alone appears to disrupt the assumed helical structure. It is suggested that competition between the positive part of Δ I 2 , which stems from magnon-magnon interaction, and its negative magneto-elastic part leads to the quantum phase transition observed at high pressure in MnSi and FeGe. This transition has to occur when Δ 2 →0. For MnSi it was shown using rough estimations that at ambient pressure both parts Δ I and |Δ ME | are comparable with the experimentally observed gap. The magneto-elastic interaction is responsible for 2k modulation of the lattice where k is the helix wavevector and contributes to the magnetic anisotropy. Properties of the magnetic state above the quantum phase transition are also discussed. Experimental observation of the lattice modulation by x-ray and neutron scattering allows the determination of the strength of the anisotropic part of the magneto-elastic interaction responsible for the above phenomena and the lattice helicity.

  8. Magneto-elastic interaction in cubic helimagnets with B20 structure.

    Science.gov (United States)

    Maleyev, S V

    2009-04-08

    The magneto-elastic interaction in cubic helimagnets with B 20 symmetry is considered. It is shown that this interaction is responsible for a negative contribution to the square of the spin-wave gap Δ and it alone appears to disrupt the assumed helical structure. It is suggested that competition between the positive part of Δ(I)(2), which stems from magnon-magnon interaction, and its negative magneto-elastic part leads to the quantum phase transition observed at high pressure in MnSi and FeGe. This transition has to occur when [Formula: see text]. For MnSi it was shown using rough estimations that at ambient pressure both parts Δ(I) and |Δ(ME)| are comparable with the experimentally observed gap. The magneto-elastic interaction is responsible for 2k modulation of the lattice where k is the helix wavevector and contributes to the magnetic anisotropy. Properties of the magnetic state above the quantum phase transition are also discussed. Experimental observation of the lattice modulation by x-ray and neutron scattering allows the determination of the strength of the anisotropic part of the magneto-elastic interaction responsible for the above phenomena and the lattice helicity.

  9. Adsorption of nonionic surfactant on silica nanoparticles: structure and resultant interparticle interactions.

    Science.gov (United States)

    Sharma, Kamendra P; Aswal, Vinod K; Kumaraswamy, Guruswamy

    2010-09-02

    Addition of nonionic surfactant, C(12)E(9), to an aqueous dispersion of charge stabilized silica nanoparticles renders particle aggregation reversible. In contrast, aggregation of the same silica particles in aqueous solutions is irreversible. We use a combination of small-angle X-ray scattering (SAXS) and contrast matching small-angle neutron scattering (SANS) to investigate interparticle interactions and microstructure in dispersions of silica particles in aqueous nonionic surfactant solutions. We show that the silica particles interact through a screened Coulombic interaction in aqueous dispersions; interestingly, this interparticle interaction is hard-sphere-like in surfactant solutions. In surfactant solutions, we show that the final surfactant-particle structure can be modeled as 14 micelles adsorbed (on average) on the surface of each silica particle. This gives rise to the short-range interparticle repulsion that makes particle aggregation reversible, and results in the hard sphere interparticle interaction potential. Finally, we show that adsorption of polyethylene imine on the surface of the silica particles prevents adsorption of surfactant micelles on the particle surface.

  10. Electronic structure theory based study of proline interacting with gold nano clusters.

    Science.gov (United States)

    Rai, Sandhya; Singh, Harjinder

    2013-10-01

    Interaction between metal nanoparticles and biomolecules is important from the view point of developing and designing biosensors. Studies on proline tagged with gold nanoclusters are reported here using density functional theory (DFT) calculations for its structural, electronic and bonding properties. Geometries of the complexes are optimized using the PBE1PBE functional and mixed basis set, i. e., 6-311++G for the amino acid and SDD for the gold clusters. Equilibrium configurations are analyzed in terms of interaction energies, molecular orbitals and charge density. The complexes associated with cluster composed of an odd number of Au atoms show higher stability. Marked decrease in the HOMO-LUMO gaps is observed on complexation. Major components of interaction between the two moieties are: the anchoring N-Au and O-Au bond; and the non covalent interactions between Au and N-H or O-H bonds. The electron affinities and vertical ionization potentials for all complexes are calculated. They show an increased value of electron affinity and ionization potential on complexation. Natural bond orbital (NBO) analysis reveals a charge transfer between the donor (proline) and acceptor (gold cluster). The results indicate that the nature of interaction between the two moieties is partially covalent. Our results will be useful for further experimental studies and may be important for future applications.

  11. Revealing the Structural Complexity of Component Interactions of Topic-Specific PCK when Planning to Teach

    Science.gov (United States)

    Mavhunga, Elizabeth

    2018-04-01

    Teaching pedagogical content knowledge (PCK) at a topic-specific level requires clarity on the content-specific nature of the components employed, as well as the specific features that bring about the desirable depth in teacher explanations. Such understanding is often hazy; yet, it influences the nature of teacher tasks and learning opportunities afforded to pre-service teachers in a teaching program. The purpose of this study was twofold: firstly, to illuminate the emerging complexity when content-specific components of PCK interact when planning to teach a chemistry topic; and secondly, to identify the kinds of teacher tasks that promote the emergence of such complexity. Data collected were content representations (CoRes) in chemical equilibrium accompanied by expanded lesson outlines from 15 pre-service teachers in their final year of study towards a first degree in teaching (B Ed). The analysis involved extraction of episodes that exhibited component interaction by using a qualitative in-depth analysis method. The results revealed the structure in which the components of PCK in a topic interact among each other to be linear, interwoven, or a combination of the two. The interwoven interactions contained multiple components that connected explanations on different aspects of a concept, all working in a complementary manner. The most sophisticated component interactions emerged from teacher tasks on descriptions of a lesson sequence and a summary of a lesson. Recommendations in this study highlight core practices for making pedagogical transformation of topic content knowledge more accessible.

  12. Experimental setup for the investigation of fluid–structure interactions in a T-junction

    Energy Technology Data Exchange (ETDEWEB)

    Kuschewski, M., E-mail: mario.kuschewski@ike.uni-stuttgart.de [University of Stuttgart, Institute for Nuclear Technology and Energy Systems, Pfaffenwaldring 31, 70569 Stuttgart (Germany); Kulenovic, R., E-mail: rudi.kulenovic@ike.uni-stuttgart.de [University of Stuttgart, Institute for Nuclear Technology and Energy Systems, Pfaffenwaldring 31, 70569 Stuttgart (Germany); Laurien, E., E-mail: eckart.laurien@ike.uni-stuttgart.de [University of Stuttgart, Institute for Nuclear Technology and Energy Systems, Pfaffenwaldring 31, 70569 Stuttgart (Germany)

    2013-11-15

    Water experiments were carried out for fluid structure interaction aspects of non-isothermal mixing in a T-junction which is part of a new test facility. The main subject of this paper is firstly to present the new facility and secondly, to demonstrate the Near-Wall LED-Induced-Fluorescence (NWLED-IF) technique, which is a new experimental method for studying fluid–structure interaction under conditions similar to those in LWR. The Fluid–Structure-Interaction-Setup is a closed-loop T-junction facility with a design pressure of 75 bar and a maximum temperature of 280 °C. The water streams are mixed in a horizontally aligned, sharp-edge, 90° T-junction. The forged T-junction is made of austenitic steel 1.4550 (X6 CrNiNb 18-10) with reduced carbon content in accordance with the German KTA 3201.1. It is equipped with 24 thermocouples (1 mm in diameter) in blind holes, which have a surface offset of 1–3 mm. The facility design comprises interchangeable modules, which can be arranged upstream or downstream of the T-junction. Two of these modules provide an optical access to the fluid by means of flanges and tubes made of glass. Additional experiments are conducted in an isothermal T-junction facility and at the Fluid–Structure Interaction Facility. It is demonstrated that the Near-Wall LED-Induced-Fluorescence technique is an image-based measurement method that provides spatially and temporally resolved information of the turbulent flow in the mixing region of the T-junction even under presence of high density differences. In all experiments a buoyancy-driven stratified flow is observed. The light fluid arranges itself on top of the denser which is characterized by a meander-like structure. The experiments are conducted under different fluid-mechanical boundary conditions, yet fluid patterns were similar and the stratification and the meander-like structures were captured by the Near-Wall LED-Induced-Fluorescence technique. The presented experiment is the first

  13. Experimental setup for the investigation of fluid–structure interactions in a T-junction

    International Nuclear Information System (INIS)

    Kuschewski, M.; Kulenovic, R.; Laurien, E.

    2013-01-01

    Water experiments were carried out for fluid structure interaction aspects of non-isothermal mixing in a T-junction which is part of a new test facility. The main subject of this paper is firstly to present the new facility and secondly, to demonstrate the Near-Wall LED-Induced-Fluorescence (NWLED-IF) technique, which is a new experimental method for studying fluid–structure interaction under conditions similar to those in LWR. The Fluid–Structure-Interaction-Setup is a closed-loop T-junction facility with a design pressure of 75 bar and a maximum temperature of 280 °C. The water streams are mixed in a horizontally aligned, sharp-edge, 90° T-junction. The forged T-junction is made of austenitic steel 1.4550 (X6 CrNiNb 18-10) with reduced carbon content in accordance with the German KTA 3201.1. It is equipped with 24 thermocouples (1 mm in diameter) in blind holes, which have a surface offset of 1–3 mm. The facility design comprises interchangeable modules, which can be arranged upstream or downstream of the T-junction. Two of these modules provide an optical access to the fluid by means of flanges and tubes made of glass. Additional experiments are conducted in an isothermal T-junction facility and at the Fluid–Structure Interaction Facility. It is demonstrated that the Near-Wall LED-Induced-Fluorescence technique is an image-based measurement method that provides spatially and temporally resolved information of the turbulent flow in the mixing region of the T-junction even under presence of high density differences. In all experiments a buoyancy-driven stratified flow is observed. The light fluid arranges itself on top of the denser which is characterized by a meander-like structure. The experiments are conducted under different fluid-mechanical boundary conditions, yet fluid patterns were similar and the stratification and the meander-like structures were captured by the Near-Wall LED-Induced-Fluorescence technique. The presented experiment is the first

  14. Mercury (I) nitroprusside: A 2D structure supported on homometallic interactions

    Energy Technology Data Exchange (ETDEWEB)

    Osiry, H.; Cano, A. [Centro de Investigación en Ciencia Aplicada y Tecnología Avanzada, Unidad Legaria, Instituto Politécnico Nacional, México (Mexico); Reguera, L. [Facultad de Química, Universidad de La Habana (Cuba); Lemus-Santana, A.A. [Centro de Investigación en Ciencia Aplicada y Tecnología Avanzada, Unidad Legaria, Instituto Politécnico Nacional, México (Mexico); Reguera, E., E-mail: edilso.reguera@gmail.com [Centro de Investigación en Ciencia Aplicada y Tecnología Avanzada, Unidad Legaria, Instituto Politécnico Nacional, México (Mexico)

    2015-01-15

    The pentacyanonitrosylferrate complex anion, [Fe(CN){sub 5}NO]{sup 2−}, forms an insoluble solid with Hg(I) ion, of formula unit Hg{sub 2}[Fe(CN){sub 5}NO]·2H{sub 2}O, whose crystal structure and related properties are unknown. This contribution reports the preparation of that compound by the precipitation method and its structural study from X-ray powder patterns complemented with spectroscopic information from IR, Raman, and UV–vis techniques. The crystal structure was solved ab initio and then refined using the Rietveld method. The solid crystallizes with a triclinic unit cell, in the P−1 space group, with cell parameters a=10.1202(12), b=10.1000(13), c=7.4704(11) Å; α=110.664(10), β=110.114(10), γ=104.724(8) °. Within the unit cell, two formula units are accommodated (Z=2). It adopts a layered structure related with the coordination of the equatorial CN groups at their N end to the Hg atoms while the axial CN ligand remains unlinked. Within the layers neighboring Hg{sub 2}[Fe(CN){sub 5}NO] building units remain linked through four relatively strong Hg–Hg interactions, with an interatomic distance of 2.549(3) Å. The charge donation from the equatorial CN groups through their 5σ orbitals results into an increase for the electron density on the Hg atoms, which strengths the Hg–Hg bond. In the Raman spectrum, that metal–metal bond is detected as a stretching vibration band at 167 cm{sup −1}. The available free volume between neighboring layers accommodates two water molecules, which are stabilized within the framework through hydrogen bonds with the N end of the unlinked axial CN group. The removal of these weakly bonded water molecules results in structural disorder for the material 3D framework. - Graphical abstract: Assembling of Hg{sub 2}[Fe(CN){sub 5}NO] units through Hg–Hg interactions. - Highlights: • Homometallic Hg–Hg interactions in metal nitroprusside. • 2D structure supported on metal–metal interactions. • Crystal

  15. Development of a flow structure interaction methodology applicable to a convertible car roof

    International Nuclear Information System (INIS)

    Knight, Jason J.

    2003-01-01

    The current research investigates the flow-induced deformation of a convertible roof of a vehicle using experimental and numerical methods. A computational methodology is developed that entails the coupling of a commercial Computational Fluid Dynamics (CFD) code with an in-house structural code. A model two-dimensional problem is first studied. The CFD code and a Source Panel Method (SPM) code are used to predict the pressure acting on the surface of a rigid roof of a scale model. Good agreement is found between predicted pressure distribution and that obtained in a parallel wind-tunnel experimental programme. The validated computational modelling of the fluid flow is then used in a coupling strategy with a line-element structural model that incorporates initial slackness of the flexible roof material. The computed flow-structure interaction yields stable solutions, the aerodynamically loaded flexible roof settling into static equilibrium. The effects of slackness and material properties on deformation and convergence are investigated using the coupled code. The three-dimensional problem is addressed by extending the two-dimensional structural solver to represent a surface by a matrix of line elements with constant tension along their length. This has been successfully coupled with the three-dimensional CFD flow-solution technique. Computed deformations show good agreement with the results of wind tunnel experiments for the well prescribed geometry. In both two-and three-dimensional computations, the flow-structure interaction is found to yield a static deformation to within 1% difference in the displacement variable after three iterations between the fluid and structural codes. The same computational methodology is applied to a real-car application using a third-party structural solver. The methodology is shown to be robust even under conditions beyond those likely to be encountered. The full methodology could be used as a design tool. The present work

  16. Blind identification of the Millikan Library from earthquake data considering soil–structure interaction

    Science.gov (United States)

    Ghahari, S. F.; Abazarsa, F.; Avci, O.; Çelebi, Mehmet; Taciroglu, E.

    2016-01-01

    The Robert A. Millikan Library is a reinforced concrete building with a basement level and nine stories above the ground. Located on the campus of California Institute of Technology (Caltech) in Pasadena California, it is among the most densely instrumented buildings in the U.S. From the early dates of its construction, it has been the subject of many investigations, especially regarding soil–structure interaction effects. It is well accepted that the structure is significantly interacting with the surrounding soil, which implies that the true foundation input motions cannot be directly recorded during earthquakes because of inertial effects. Based on this limitation, input–output modal identification methods are not applicable to this soil–structure system. On the other hand, conventional output-only methods are typically based on the unknown input signals to be stationary whitenoise, which is not the case for earthquake excitations. Through the use of recently developed blind identification (i.e. output-only) methods, it has become possible to extract such information from only the response signals because of earthquake excitations. In the present study, we employ such a blind identification method to extract the modal properties of the Millikan Library. We present some modes that have not been identified from force vibration tests in several studies to date. Then, to quantify the contribution of soil–structure interaction effects, we first create a detailed Finite Element (FE) model using available information about the superstructure; and subsequently update the soil–foundation system's dynamic stiffnesses at each mode such that the modal properties of the entire soil–structure system agree well with those obtained via output-only modal identification.

  17. The Interacting Galaxy Pair NGC 5394/95: Near-Infrared Photometry, Structure, and Morphology

    Science.gov (United States)

    Puerari, Ivânio; Valdez-Gutiérrez, Margarita; Hernández-López, Izbeth

    2005-10-01

    We present near-infrared observations in the J, H, and K' passbands of the interacting pair of galaxies NGC 5394/95 (KPG 404). The total magnitudes, colors, surface brightnesses, and color profiles are calculated. In addition, aperture magnitudes are compared against previous determinations. We also perform a structural (disk + bulge) analysis, as well as a two-dimensional Fourier analysis, to gain insight into the morphology of the pair. The disk + bulge fit shows that NGC 5394 (KPG 404A) is more compact than normal galaxies, while NGC 5395 (KPG 404B) is less concentrated. The two-dimensional Fourier analysis shows that NGC 5394 is an H2β galaxy in the dust-penetrated (DP) classification by Block & Puerari. NGC 5395, in contrast, displays a very complex structure that needs a number of Fourier coefficients to be explained. A tightly wound m=1 coefficient (DP class H1α) is the main structure, but other m=1 and m=2 coefficients (suggesting modulation) are also present in the Fourier spectra. The m=1 coefficients represent a pseudo-ring-type structure, indicative of a collision rather than a passage. Based on our results we are able to assert that the scenario of the interaction between the galaxy members of KPG 404 should take into account a crossing of NGC 5394 through the disk of NGC 5395 in a Cartwheel-like encounter rather than a passage as in M51-type pairs. Numerical simulations could help to unravel the structural and morphological evolution of this interacting pair.

  18. Charge isomers of myelin basic protein: structure and interactions with membranes, nucleotide analogues, and calmodulin.

    Directory of Open Access Journals (Sweden)

    Chaozhan Wang

    Full Text Available As an essential structural protein required for tight compaction of the central nervous system myelin sheath, myelin basic protein (MBP is one of the candidate autoantigens of the human inflammatory demyelinating disease multiple sclerosis, which is characterized by the active degradation of the myelin sheath. In this work, recombinant murine analogues of the natural C1 and C8 charge components (rmC1 and rmC8, two isoforms of the classic 18.5-kDa MBP, were used as model proteins to get insights into the structure and function of the charge isomers. Various biochemical and biophysical methods such as size exclusion chromatography, calorimetry, surface plasmon resonance, small angle X-ray and neutron scattering, Raman and fluorescence spectroscopy, and conventional as well as synchrotron radiation circular dichroism were used to investigate differences between these two isoforms, both from the structural point of view, and regarding interactions with ligands, including calmodulin (CaM, various detergents, nucleotide analogues, and lipids. Overall, our results provide further proof that rmC8 is deficient both in structure and especially in function, when compared to rmC1. While the CaM binding properties of the two forms are very similar, their interactions with membrane mimics are different. CaM can be used to remove MBP from immobilized lipid monolayers made of synthetic lipids--a phenomenon, which may be of relevance for MBP function and its regulation. Furthermore, using fluorescently labelled nucleotides, we observed binding of ATP and GTP, but not AMP, by MBP; the binding of nucleoside triphosphates was inhibited by the presence of CaM. Together, our results provide important further data on the interactions between MBP and its ligands, and on the differences in the structure and function between MBP charge isomers.

  19. Structure and phase behavior of colloidal dumbbells with tunable attractive interactions.

    Science.gov (United States)

    Munaò, G; Costa, D; Giacometti, A; Caccamo, C; Sciortino, F

    2013-12-21

    We investigate thermodynamic and structural properties of colloidal dumbbells in the framework provided by the Reference Interaction Site Model (RISM) theory of molecular fluids and Monte Carlo simulations. We consider two different models: in the first one we set identical square-well attractions on the two tangent spheres constituting the molecule (SW-SW model); in the second scheme, one of the square-well interactions is switched off (HS-SW model). Appreciable differences emerge between the physical properties of the two models. Specifically, the k → 0 behavior of SW-SW structure factors S(k) points to the presence of a gas-liquid coexistence, as confirmed by subsequent fluid phase equilibria calculations. Conversely, the HS-SW S(k) develops a low-k peak, signaling the presence of aggregates; such a process destabilizes the gas-liquid phase separation, promoting at low temperatures the formation of a cluster phase, whose structure depends on the system density. We further investigate such differences by studying the phase behavior of a series of intermediate models, obtained from the original SW-SW by progressively reducing the depth of one square-well interaction. RISM structural predictions positively reproduce the simulation data, including the rise of S(k → 0) in the SW-SW model and the low-k peak in the HS-SW structure factor. As for the phase behavior, RISM agrees with Monte Carlo simulations in predicting a gas-liquid coexistence for the SW-SW model (though the critical parameters appear overestimated by the theory) and its progressive disappearance when moving toward the HS-SW model.

  20. Precise colocalization of interacting structural and pigmentary elements generates extensive color pattern variation in Phelsuma lizards

    Science.gov (United States)

    2013-01-01

    Background Color traits in animals play crucial roles in thermoregulation, photoprotection, camouflage, and visual communication, and are amenable to objective quantification and modeling. However, the extensive variation in non-melanic pigments and structural colors in squamate reptiles has been largely disregarded. Here, we used an integrated approach to investigate the morphological basis and physical mechanisms generating variation in color traits in tropical day geckos of the genus Phelsuma. Results Combining histology, optics, mass spectrometry, and UV and Raman spectroscopy, we found that the extensive variation in color patterns within and among Phelsuma species is generated by complex interactions between, on the one hand, chromatophores containing yellow/red pteridine pigments and, on the other hand, iridophores producing structural color by constructive interference of light with guanine nanocrystals. More specifically, we show that 1) the hue of the vivid dorsolateral skin is modulated both by variation in geometry of structural, highly ordered narrowband reflectors, and by the presence of yellow pigments, and 2) that the reflectivity of the white belly and of dorsolateral pigmentary red marks, is increased by underlying structural disorganized broadband reflectors. Most importantly, these interactions require precise colocalization of yellow and red chromatophores with different types of iridophores, characterized by ordered and disordered nanocrystals, respectively. We validated these results through numerical simulations combining pigmentary components with a multilayer interferential optical model. Finally, we show that melanophores form dark lateral patterns but do not significantly contribute to variation in blue/green or red coloration, and that changes in the pH or redox state of pigments provide yet another source of color variation in squamates. Conclusions Precisely colocalized interacting pigmentary and structural elements generate extensive

  1. Dynamic Analysis of Fluid – Structure Interaction of Axial Fan System

    Directory of Open Access Journals (Sweden)

    Assim Hameed Yousif

    2015-09-01

    Full Text Available Fluid-structure interaction method is performed to predict the dynamic characteristics of axial fan system. A fluid-structure interface physical environment method (monolithic method is used to couple the fluid flow solver with the structural solver. The integration of the three-dimensional Navier-Stokes equations is performed in the time Doman, simultaneously to the integration of the three dimensional structural model. The aerodynamic loads are transfer from the flow to structure and the coupling step is repeated within each time step, until the flow solution and the structural solution have converged to yield a coupled solution of the aeroelastic set of equations. Finite element method is applied to solve numerically the Navier-Stockes equations coupled with the structural equations The first ten eigenvalue (natural frequency, the first ten eigenvector (mode shape and effective stress for each part of a rotor system and complete system assembly are predicted. The validity of the predicted dynamic characteristics of duct fan system was confirmed experimentally by investigating geometrically similar fan system test rig. Good agreement of dynamic characteristics is observed between experimental and numerical results

  2. Application of foam-extend on turbulent fluid-structure interaction

    Science.gov (United States)

    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.

  3. Structure and interaction in the polymer-dependent reentrant phase behavior of a charged nanoparticle solution

    Science.gov (United States)

    Kumar, Sugam; Ray, D.; Aswal, V. K.; Kohlbrecher, J.

    2014-10-01

    Small-angle neutron scattering (SANS) studies have been carried out to examine the evolution of interaction and structure in a nanoparticle (silica)-polymer (polyethylene glycol) system. The nanoparticle-polymer solution interestingly shows a reentrant phase behavior where the one-phase charged stabilized nanoparticles go through a two-phase system (nanoparticle aggregation) and back to one-phase as a function of polymer concentration. Such phase behavior arises because of the nonadsorption of polymer on nanoparticles and is governed by the interplay of polymer-induced attractive depletion with repulsive nanoparticle-nanoparticle electrostatic and polymer-polymer interactions in different polymer concentration regimes. At low polymer concentrations, the electrostatic repulsion dominates over the depletion attraction. However, the increase in polymer concentration enhances the depletion attraction to give rise to the nanoparticle aggregation in the two-phase system. Further, the polymer-polymer repulsion at high polymer concentrations is believed to be responsible for the reentrance to one-phase behavior. The SANS data in polymer contrast-matched conditions have been modeled by a two-Yukawa potential accounting for both repulsive and attractive parts of total interaction potential between nanoparticles. Both of these interactions (repulsive and attractive) are found to be long range. The magnitude and the range of the depletion interaction increase with the polymer concentration leading to nanoparticle clustering. At higher polymer concentrations, the increased polymer-polymer repulsion reduces the depletion interaction leading to reentrant phase behavior. The nanoparticle clusters in the two-phase system are characterized by the surface fractal with simple cubic packing of nanoparticles within the clusters. The effect of varying ionic strength and polymer size in tuning the interaction has also been examined.

  4. Fluid/Structure Interaction Studies of Aircraft Using High Fidelity Equations on Parallel Computers

    Science.gov (United States)

    Guruswamy, Guru; VanDalsem, William (Technical Monitor)

    1994-01-01

    Abstract Aeroelasticity which involves strong coupling of fluids, structures and controls is an important element in designing an aircraft. Computational aeroelasticity using low fidelity methods such as the linear aerodynamic flow equations coupled with the modal structural equations are well advanced. Though these low fidelity approaches are computationally less intensive, they are not adequate for the analysis of modern aircraft such as High Speed Civil Transport (HSCT) and Advanced Subsonic Transport (AST) which can experience complex flow/structure interactions. HSCT can experience vortex induced aeroelastic oscillations whereas AST can experience transonic buffet associated structural oscillations. Both aircraft may experience a dip in the flutter speed at the transonic regime. For accurate aeroelastic computations at these complex fluid/structure interaction situations, high fidelity equations such as the Navier-Stokes for fluids and the finite-elements for structures are needed. Computations using these high fidelity equations require large computational resources both in memory and speed. Current conventional super computers have reached their limitations both in memory and speed. As a result, parallel computers have evolved to overcome the limitations of conventional computers. This paper will address the transition that is taking place in computational aeroelasticity from conventional computers to parallel computers. The paper will address special techniques needed to take advantage of the architecture of new parallel computers. Results will be illustrated from computations made on iPSC/860 and IBM SP2 computer by using ENSAERO code that directly couples the Euler/Navier-Stokes flow equations with high resolution finite-element structural equations.

  5. The role of cytochrome b5 structural domains in interaction with cytochromes P450.

    Science.gov (United States)

    Sergeev, G V; Gilep, A A; Usanov, S A

    2014-05-01

    To understand the role of the structural elements of cytochrome b5 in its interaction with cytochrome P450 and the catalysis performed by this heme protein, we carried out comparative structural and functional analysis of the two major mammalian forms of membrane-bound cytochrome b5 - microsomal and mitochondrial, designed chimeric forms of the heme proteins in which the hydrophilic domain of one heme protein is replaced by the hydrophilic domain of another one, and investigated the effect of the highly purified native and chimeric heme proteins on the enzymatic activity of recombinant cytochromes P4503A4 and P45017A1 (CYP3A4 and CYP17A1). We show that the presence of a hydrophobic domain in the structure of cytochrome b5 is necessary for its effective interaction with its redox partners, while the nature of the hydrophobic domain has no significant effect on the ability of cytochrome b5 to stimulate the activity of cytochrome P450-catalyzed reactions. Thus, the functional properties of cytochrome b5 are mainly determined by the structure of the heme-binding domain.

  6. Fluid-Solid Interactive Methodology for Prognosis of Passenger Jet Structural Damage in Water Crash Landing

    Science.gov (United States)

    Bayandor, Javid

    2010-11-01

    Today, crashworthiness studies constitute a major part of modern aerospace design and certification processes. Of important consideration is the assessment of structural damage tolerance in terms of the extent of progressive damage and failure caused by aircraft emergency ditching on soft terrain or on water. Although a certification requirement, full scale crash landings are rarely tested using fully functional prototypes due to their high associated costs. This constraint makes it difficult for all crashworthy features of the design to be identified and fine-tuned before the commencement of the manufacturing phase. The current study presents aspects of a numerical methodology that can drastically subside the dependency of the certification assessments to full scale field trials. Interactive, fully nonlinear, solid-structure and fluid- structure analyses have been proposed using coupled Lagrangian- Eulerian and independent meshless Lagrangian approaches that run on a combined finite element-computational fluid dynamics platform. Detailed analysis of a key landing scenario pertaining to a large passenger jet will be provided to determine the relevance and accuracy of the proposed method. The work further identifies state-of-the-art computational approaches for modeling fluid-solid interactive systems that can help improve aircraft structural responses to soft impact and water ditching.

  7. Modulating the electronic structure of amino acids: interaction of model lewis acids with anthranilic acid

    Directory of Open Access Journals (Sweden)

    Tareq Irshaidat

    2014-01-01

    Full Text Available On the basis of theoretical B3LYP calculations, Yáñez and co-workers (J. Chem. Theory Comput. 2012, 8, 2293 illustrated that beryllium ions are capable of significantly modulating (changing the electronic structures of imidazole. In this computational organic chemistry study, the interaction of this β-amino acid and five model Lewis acids (BeF1+, Be2+, AlF2(1+, AlF2+, and Al3+ were investigated. Several aspects were addressed: natural bond orbitals, including second order perturbation analysis of intra-molecular charge delocalization and the natural population analysis atomic charges; molecular geometries; selected infrared stretching frequencies (C-N, C-O, and N-H, and selected ¹H-NMR chemical shifts. The data illustrate that this interaction can weaken the H-O bond and goes beyond strengthening the intra-molecular hydrogen bond (N...H-O to cause a spontaneous transfer of the proton to the nitrogen atom in five cases generating zwitterion structures. Many new features are observed. Most importantly, the zwitterion structures include a stabilizing hydrogen bond (N-H...O that varies in relative strength according to the Lewis acid. These findings explain the experimental observations of α-amino acids (for example: J. Am. Chem. Soc. 2001, 123, 3577 and are the first reported fundamental electronic structure characterization of β-amino acids in zwitterion form.

  8. Solution Structure and Membrane Interaction of the Cytoplasmic Tail of HIV-1 gp41 Protein.

    Science.gov (United States)

    Murphy, R Elliot; Samal, Alexandra B; Vlach, Jiri; Saad, Jamil S

    2017-11-07

    The cytoplasmic tail of gp41 (gp41CT) remains the last HIV-1 domain with an unknown structure. It plays important roles in HIV-1 replication such as mediating envelope (Env) intracellular trafficking and incorporation into assembling virions, mechanisms of which are poorly understood. Here, we present the solution structure of gp41CT in a micellar environment and characterize its interaction with the membrane. We show that the N-terminal 45 residues are unstructured and not associated with the membrane. However, the C-terminal 105 residues form three membrane-bound amphipathic α helices with distinctive structural features such as variable degree of membrane penetration, hydrophobic and basic surfaces, clusters of aromatic residues, and a network of cation-π interactions. This work fills a major gap by providing the structure of the last segment of HIV-1 Env, which will provide insights into the mechanisms of Gag-mediated Env incorporation as well as the overall Env mobility and conformation on the virion surface. Copyright © 2017 Elsevier Ltd. All rights reserved.

  9. Two-dimensional modeling of an aircraft engine structural bladed disk-casing modal interaction

    Science.gov (United States)

    Legrand, Mathias; Pierre, Christophe; Cartraud, Patrice; Lombard, Jean-Pierre

    2009-01-01

    In modern turbo machines such as aircraft jet engines, structural contacts between the casing and bladed disk may occur through a variety of mechanisms: coincidence of vibration modes, thermal deformation of the casing, rotor imbalance due to design uncertainties to name a few. These nonlinear interactions may result in severe damage to both structures and it is important to understand the physical circumstances under which they occur. In this study, we focus on a modal coincidence during which the vibrations of each structure take the form of a k-nodal diameter traveling wave characteristic of axi-symmetric geometries. A realistic two-dimensional model of the casing and bladed disk is introduced in order to predict the occurrence of this very specific interaction phenomenon versus the rotation speed of the engine. The equations of motion are solved using an explicit time integration scheme in conjunction with the Lagrange multiplier method where friction is accounted for. This model is validated from the comparison with an analytical solution. The numerical results show that the structures may experience different kinds of behaviors (namely damped, sustained and divergent motions) mainly depending on the rotational velocity of the bladed disk.

  10. Modelling the fluid structure interaction produced by a waterhammer during shutdown of high-pressure pumps

    International Nuclear Information System (INIS)

    Erath, W.; Nowotny, B.; Maetz, J.

    1999-01-01

    Measurements of an experiment in a pipe system with pump shutdown and valve closing have been performed in the nuclear power plant KRB II (Gundremmingen, Germany). Comparative calculations of fluid and structure including interaction show an excellent agreement with the measured results. Theory and implementation of the fluid structure interaction (FSI) and the results of the comparison are described. The following measurements have been compared with calculations: (1) experiments in Delft, Netherlands to analyse the FSI; and (2) experiment with pump shutdown and valve closing in the nuclear power plant KRB II has been performed. It turns out, that the consideration of the FSI is necessary for an exact calculation of 'soft' piping systems. It has significant application in current waterhammer problems. For example, water column closure, vapour collapse, check valve slamming continues to create waterhammers in the energy industry. An important consequence of the FSI is mostly a significant increase of the effective structural damping. This mitigates - so far in all KED's calculations the FSI has taken into account - an amplification of pipe movements due to pressure waves in resonance with structural eigenvalues. To investigate the integrity of pipe systems pipe stresses are calculated. Taking FSI into account they are reduced by 10-40% in the actual case. (orig.)

  11. Cationic versus anionic surfactant in tuning the structure and interaction of nanoparticle, protein, and surfactant complexes.

    Science.gov (United States)

    Mehan, Sumit; Aswal, Vinod K; Kohlbrecher, Joachim

    2014-08-26

    The structure and interaction in complexes of anionic Ludox HS40 silica nanoparticle, anionic bovine serum albumin (BSA) protein, and cationic dodecyl trimethylammonium bromide (DTAB) surfactant have been studied using small-angle neutron scattering (SANS). The results are compared with similar complexes having anionic sodium dodecyl sulfate (SDS) surfactant (Mehan, S; Chinchalikar, A. J.; Kumar, S.; Aswal, V. K.; Schweins, R. Langmuir 2013, 29, 11290). In both cases (DTAB and SDS), the structure in nanoparticle-protein-surfactant complexes is predominantly determined by the interactions of the individual two-component systems. The nanoparticle-surfactant (mediated through protein-surfactant complex) and protein-surfactant interactions for DTAB, but nanoparticle-protein (mediated through protein-surfactant complex) and protein-surfactant interactions for SDS, are found to be responsible for the resultant structure of nanoparticle-protein-surfactant complexes. Irrespective of the charge on the surfactant, the cooperative binding of surfactant with protein leads to micellelike clusters of surfactant formed along the unfolded protein chain. The adsorption of these protein-surfactant complexes for DTAB on oppositely charged nanoparticles gives rise to the protein-surfactant complex-mediated aggregation of nanoparticles (similar to that of DTAB surfactant). It is unlike that of depletion-induced aggregation of nanoparticles with nonadsorption of protein-surfactant complexes for SDS in similarly charged nanoparticle systems (similar to that of protein alone). The modifications in nanoparticle aggregation as well as unfolding of protein in these systems as compared to the corresponding two-component systems have also been examined by selectively contrast matching the constituents.

  12. New insights into the molecular mechanisms of biomembrane structural changes and interactions by optical biosensor technology.

    Science.gov (United States)

    Lee, Tzong-Hsien; Hirst, Daniel J; Aguilar, Marie-Isabel

    2015-09-01

    Biomolecular-membrane interactions play a critical role in the regulation of many important biological processes such as protein trafficking, cellular signalling and ion channel formation. Peptide/protein-membrane interactions can also destabilise and damage the membrane which can lead to cell death. Characterisation of the molecular details of these binding-mediated membrane destabilisation processes is therefore central to understanding cellular events such as antimicrobial action, membrane-mediated amyloid aggregation, and apoptotic protein induced mitochondrial membrane permeabilisation. Optical biosensors have provided a unique approach to characterising membrane interactions allowing quantitation of binding events and new insight into the kinetic mechanism of these interactions. One of the most commonly used optical biosensor technologies is surface plasmon resonance (SPR) and there have been an increasing number of studies reporting the use of this technique for investigating biophysical analysis of membrane-mediated events. More recently, a number of new optical biosensors based on waveguide techniques have been developed, allowing membrane structure changes to be measured simultaneously with mass binding measurements. These techniques include dual polarisation interferometry (DPI), plasmon waveguide resonance spectroscopy (PWR) and optical waveguide light mode spectroscopy (OWLS). These techniques have expanded the application of optical biosensors to allow the analysis of membrane structure changes during peptide and protein binding. This review provides a theoretical and practical overview of the application of biosensor technology with a specific focus on DPI, PWR and OWLS to study biomembrane-mediated events and the mechanism of biomembrane disruption. This article is part of a Special Issue entitled: Lipid-protein interactions. Copyright © 2015 Elsevier B.V. All rights reserved.

  13. Structural Basis of Neuronal Nitric-oxide Synthase Interaction with Dystrophin Repeats 16 and 17*

    Science.gov (United States)

    Molza, Anne-Elisabeth; Mangat, Khushdeep; Le Rumeur, Elisabeth; Hubert, Jean-François; Menhart, Nick; Delalande, Olivier

    2015-01-01

    Duchenne muscular dystrophy is a lethal genetic defect that is associated with the absence of dystrophin protein. Lack of dystrophin protein completely abolishes muscular nitric-oxide synthase (NOS) function as a regulator of blood flow during muscle contraction. In normal muscles, nNOS function is ensured by its localization at the sarcolemma through an interaction of its PDZ domain with dystrophin spectrin-like repeats R16 and R17. Early studies suggested that repeat R17 is the primary site of interaction but ignored the involved nNOS residues, and the R17 binding site has not been described at an atomic level. In this study, we characterized the specific amino acids involved in the binding site of nNOS-PDZ with dystrophin R16–17 using combined experimental biochemical and structural in silico approaches. First, 32 alanine-scanning mutagenesis variants of dystrophin R16–17 indicated the regions where mutagenesis modified the affinity of the dystrophin interaction with the nNOS-PDZ. Second, using small angle x-ray scattering-based models of dystrophin R16–17 and molecular docking methods, we generated atomic models of the dystrophin R16–17·nNOS-PDZ complex that correlated well with the alanine scanning identified regions of dystrophin. The structural regions constituting the dystrophin interaction surface involve the A/B loop and the N-terminal end of helix B of repeat R16 and the N-terminal end of helix A′ and a small fraction of helix B′ and a large part of the helix C′ of repeat R17. The interaction surface of nNOS-PDZ involves its main β-sheet and its specific C-terminal β-finger. PMID:26378238

  14. Structural Basis of Neuronal Nitric-oxide Synthase Interaction with Dystrophin Repeats 16 and 17.

    Science.gov (United States)

    Molza, Anne-Elisabeth; Mangat, Khushdeep; Le Rumeur, Elisabeth; Hubert, Jean-François; Menhart, Nick; Delalande, Olivier

    2015-12-04

    Duchenne muscular dystrophy is a lethal genetic defect that is associated with the absence of dystrophin protein. Lack of dystrophin protein completely abolishes muscular nitric-oxide synthase (NOS) function as a regulator of blood flow during muscle contraction. In normal muscles, nNOS function is ensured by its localization at the sarcolemma through an interaction of its PDZ domain with dystrophin spectrin-like repeats R16 and R17. Early studies suggested that repeat R17 is the primary site of interaction but ignored the involved nNOS residues, and the R17 binding site has not been described at an atomic level. In this study, we characterized the specific amino acids involved in the binding site of nNOS-PDZ with dystrophin R16-17 using combined experimental biochemical and structural in silico approaches. First, 32 alanine-scanning mutagenesis variants of dystrophin R16-17 indicated the regions where mutagenesis modified the affinity of the dystrophin interaction with the nNOS-PDZ. Second, using small angle x-ray scattering-based models of dystrophin R16-17 and molecular docking methods, we generated atomic models of the dystrophin R16-17·nNOS-PDZ complex that correlated well with the alanine scanning identified regions of dystrophin. The structural regions constituting the dystrophin interaction surface involve the A/B loop and the N-terminal end of helix B of repeat R16 and the N-terminal end of helix A' and a small fraction of helix B' and a large part of the helix C' of repeat R17. The interaction surface of nNOS-PDZ involves its main β-sheet and its specific C-terminal β-finger. © 2015 by The American Society for Biochemistry and Molecular Biology, Inc.

  15. Methods for simulation-based analysis of fluid-structure interaction.

    Energy Technology Data Exchange (ETDEWEB)

    Barone, Matthew Franklin; Payne, Jeffrey L.

    2005-10-01

    Methods for analysis of fluid-structure interaction using high fidelity simulations are critically reviewed. First, a literature review of modern numerical techniques for simulation of aeroelastic phenomena is presented. The review focuses on methods contained within the arbitrary Lagrangian-Eulerian (ALE) framework for coupling computational fluid dynamics codes to computational structural mechanics codes. The review treats mesh movement algorithms, the role of the geometric conservation law, time advancement schemes, wetted surface interface strategies, and some representative applications. The complexity and computational expense of coupled Navier-Stokes/structural dynamics simulations points to the need for reduced order modeling to facilitate parametric analysis. The proper orthogonal decomposition (POD)/Galerkin projection approach for building a reduced order model (ROM) is presented, along with ideas for extension of the methodology to allow construction of ROMs based on data generated from ALE simulations.

  16. Adaptive solution of some steady-state fluid-structure interaction problems

    International Nuclear Information System (INIS)

    Etienne, S.; Pelletier, D.

    2003-01-01

    This paper presents a general integrated and coupled formulation for modeling the steady-state interaction of a viscous incompressible flow with an elastic structure undergoing large displacements (geometric non-linearities). This constitutes an initial step towards developing a sensitivity analysis formulation for this class of problems. The formulation uses velocity and pressures as unknowns in a flow domain and displacements in the structural components. An interface formulation is presented that leads to clear and simple finite element implementation of the equilibrium conditions at the fluid-solid interface. Issues of error estimation and mesh adaptation are discussed. The adaptive formulation is verified on a problem with a closed form solution. It is then applied to a sample case for which the structure undergoes large displacements induced by the flow. (author)

  17. Interactions and Diffusion of Methane and Hydrogen in Microporous Structures: Nuclear Magnetic Resonance (NMR Studies

    Directory of Open Access Journals (Sweden)

    Jaha A. Hamida

    2013-06-01

    Full Text Available Measurements of nuclear spin relaxation times over a wide temperature range have been used to determine the interaction energies and molecular dynamics of light molecular gases trapped in the cages of microporous structures. The experiments are designed so that, in the cases explored, the local excitations and the corresponding heat capacities determine the observed nuclear spin-lattice relaxation times. The results indicate well-defined excitation energies for low densities of methane and hydrogen deuteride in zeolite structures. The values obtained for methane are consistent with Monte Carlo calculations of A.V. Kumar et al. The results also confirm the high mobility and diffusivity of hydrogen deuteride in zeolite structures at low temperatures as observed by neutron scattering.

  18. Development of a flow structure interaction methodology applicable to a convertible car roof

    CERN Document Server

    Knight, J J

    2003-01-01

    The current research investigates the flow-induced deformation of a convertible roof of a vehicle using experimental and numerical methods. A computational methodology is developed that entails the coupling of a commercial Computational Fluid Dynamics (CFD) code with an in-house structural code. A model two-dimensional problem is first studied. The CFD code and a Source Panel Method (SPM) code are used to predict the pressure acting on the surface of a rigid roof of a scale model. Good agreement is found between predicted pressure distribution and that obtained in a parallel wind-tunnel experimental programme. The validated computational modelling of the fluid flow is then used in a coupling strategy with a line-element structural model that incorporates initial slackness of the flexible roof material. The computed flow-structure interaction yields stable solutions, the aerodynamically loaded flexible roof settling into static equilibrium. The effects of slackness and material properties on deformation and co...

  19. Fluid-Structure Interaction based on Lattice Boltzmann and p-FEM

    Science.gov (United States)

    Ahrenholz, Benjamin; Geller, Sebastian; Krafczyk, Manfred

    2010-03-01

    Over the last decade the Lattice Boltzmann Method (LBM) has matured as an efficient method for solving the Navier-Stokes equations. The p-version of the Finite Element Method (p-FEM) has proved to be highly efficient for a variety of problems in the field of structural mechanics. The focus of this contribution is to investigate the validity and efficiency of the coupling of two completely different numerical methods to simulate transient bidirectional Fluid-Structure Interaction (FSI) problems with very large structural deflections. In this contribution the treatment of moving boundaries in the fluid solver is presented, the computation of tractions and displacements on the boundary as well as the explicit coupling algorithm itself. In addition, efficiency aspects of the two approaches for two- and three-dimensional laminar flow examples at intermediate Reynolds numbers are discussed. Finally we give an outlook on modeling turbulent FSI problems.

  20. Light interaction with nano-structured diatom frustule, from UV-A to NIR

    DEFF Research Database (Denmark)

    Maibohm, Christian; Nielsen, Josefine Holm; Rottwitt, Karsten

    2016-01-01

    is made from bio-synthesized silicate, perforated by wavelength sized features where the morphology of the nano-structured “greenhouse” is species dependent. Diatoms would therefore make for one of the most interesting “green” resources since it has not only potential as a biomass production system...... but also for nano-structured inorganic material. To understand the biological significance and to integrate diatomic frustules as active material in devices a fundamental understanding of how light interacts with the frustule is needed. In this study we focus on centric diatoms, i.e. having rotational...... in the transmitted light caused by the nano-structured frustule. Furthermore we show, by placing the frustule on a quartz half sphere how light transmission is a function of the angle of incidence and wavelength....