Modeling tree crown dynamics with 3D partial differential equations.

Science.gov (United States)

Beyer, Robert; Letort, Véronique; Cournède, Paul-Henry

2014-01-01

We characterize a tree's spatial foliage distribution by the local leaf area density. Considering this spatially continuous variable allows to describe the spatiotemporal evolution of the tree crown by means of 3D partial differential equations. These offer a framework to rigorously take locally and adaptively acting effects into account, notably the growth toward light. Biomass production through photosynthesis and the allocation to foliage and wood are readily included in this model framework. The system of equations stands out due to its inherent dynamic property of self-organization and spontaneous adaptation, generating complex behavior from even only a few parameters. The density-based approach yields spatially structured tree crowns without relying on detailed geometry. We present the methodological fundamentals of such a modeling approach and discuss further prospects and applications.

Early structure of LPG partially premixed conically stabilized flames

KAUST Repository

Elbaz, Ayman M.

2013-01-01

This paper presents experimental investigation of LPG partially premixed turbulent flames stabilized within a conical nozzle burner under constant degree of partial premixing. The stability limits and mean flame structure are presented based

Scalar meson in dynamical and partially quenched two-flavor QCD: Lattice results and chiral loops

International Nuclear Information System (INIS)

Prelovsek, S.; Dawson, C.; Izubuchi, T.; Orginos, K.; Soni, A.

2004-01-01

This is an exploratory study of the lightest nonsinglet scalar qq state on the lattice with two dynamical quarks. Domain wall fermions are used for both sea and valence quarks on a 16 3 x32 lattice with an inverse lattice spacing of 1.7 GeV. We extract the scalar meson mass 1.58±0.34 GeV from the exponential time dependence of the dynamical correlators with m val =m sea and N f =2. Since this statistical error bar from dynamical correlators is rather large, we analyze also the partially quenched lattice correlators with m val ≠m sea . They are positive for m val ≥m sea and negative for m val sea . In order to understand this striking effect of partial quenching, we derive the scalar correlator within the partially quenched chiral perturbation theory (ChPT) and find it describes lattice correlators well. The leading unphysical contribution in partially quenched ChPT comes from the exchange of the two pseudoscalar fields and is also positive for m val ≥m sea and negative for m val sea at large t. After the subtraction of this unphysical contribution from the partially quenched lattice correlators, the correlators are positive and exponentially falling. The resulting scalar meson mass 1.51±0.19 GeV from the partially quenched correlators is consistent with the dynamical result and has an appreciably smaller error bar

Constraints on nanomaterial structure from experiment and theory: reconciling partial representations

International Nuclear Information System (INIS)

Mlinar, Vladan

2015-01-01

To facilitate the design and optimization of nanomaterials for a given application it is necessary to understand the relationship between structure and physical properties. For large nanomaterials, there is imprecise structural information so the full structure is only resolved at the level of partial representations. Here we show how to reconcile partial structural representations using constraints from structural characterization measurements and theory to maximally exploit the limited amount of data available from experiment. We determine a range of parameter space where predictive theory can be used to design and optimize the structure. Using an example of variation of chemical composition profile across the interface of two nanomaterials, we demonstrate how, given experimental and theoretical constraints, to find a region of structure-parameter space within which computationally explored partial representations of the full structure will have observable real-world counterparts. (paper)

Esthetic double-structure fixed partial dentures.

Science.gov (United States)

Ravasini, G; Ugolini, G; Ravasini, F

1996-04-01

A new technical procedure for fixed partial dentures and single inlays allows the use of a metal supporting structure with independent ceramic coverage. The advantages of the technique are the bonding of metal to beveled dentinal margins with conventional cement and the acid-etched resin composite cementation of the ceramic, which permits more conservative preparation of the teeth. The complexity of the structure, the laboratory costs, and the doubling of the cementation procedures are the main disadvantages of the technique.

Basic structural dynamics

CERN Document Server

Anderson, James C

2012-01-01

A concise introduction to structural dynamics and earthquake engineering Basic Structural Dynamics serves as a fundamental introduction to the topic of structural dynamics. Covering single and multiple-degree-of-freedom systems while providing an introduction to earthquake engineering, the book keeps the coverage succinct and on topic at a level that is appropriate for undergraduate and graduate students. Through dozens of worked examples based on actual structures, it also introduces readers to MATLAB, a powerful software for solving both simple and complex structural d

Atomic-scale structural signature of dynamic heterogeneities in metallic liquids

Science.gov (United States)

Pasturel, Alain; Jakse, Noel

2017-08-01

With sufficiently high cooling rates, liquids will cross their equilibrium melting temperatures and can be maintained in a metastable undercooled state before solidifying. Studies of undercooled liquids reveal several intriguing dynamic phenomena and because explicit connections between liquid structure and liquids dynamics are difficult to identify, it remains a major challenge to capture the underlying structural link to these phenomena. Ab initio molecular dynamics (AIMD) simulations are yet especially powerful in providing atomic-scale details otherwise not accessible in experiments. Through the AIMD-based study of Cr additions in Al-based liquids, we evidence for the first time a close relationship between the decoupling of component diffusion and the emergence of dynamic heterogeneities in the undercooling regime. In addition, we demonstrate that the origin of both phenomena is related to a structural heterogeneity caused by a strong interplay between chemical short-range order (CSRO) and local fivefold topology (ISRO) at the short-range scale in the liquid phase that develops into an icosahedral-based medium-range order (IMRO) upon undercooling. Finally, our findings reveal that this structural signature is also captured in the temperature dependence of partial pair-distribution functions which opens up the route to more elaborated experimental studies.

Fundamentals of structural dynamics

CERN Document Server

Craig, Roy R

2006-01-01

From theory and fundamentals to the latest advances in computational and experimental modal analysis, this is the definitive, updated reference on structural dynamics.This edition updates Professor Craig's classic introduction to structural dynamics, which has been an invaluable resource for practicing engineers and a textbook for undergraduate and graduate courses in vibrations and/or structural dynamics. Along with comprehensive coverage of structural dynamics fundamentals, finite-element-based computational methods, and dynamic testing methods, this Second Edition includes new and e

Polarizability effects on the structure and dynamics of ionic liquids

Energy Technology Data Exchange (ETDEWEB)

Cavalcante, Ary de Oliveira, E-mail: arycavalcante@ufam.edu.br [Institute of Chemistry, University of Campinas – UNICAMP, Cx. P. 6154, Campinas, SP 13084-862 (Brazil); Departamento de Química, Universidade Federal do Amazonas, Av. Rodrigo Octávio, 6200, Coroado, Manaus, AM (Brazil); Ribeiro, Mauro C. C. [Laboratório de Espectroscopia Molecular, Instituto de Química, Universidade de São Paulo, São Paulo, SP C.P. 26077, 05513 970 São Paulo, SP (Brazil); Skaf, Munir S. [Institute of Chemistry, University of Campinas – UNICAMP, Cx. P. 6154, Campinas, SP 13084-862 (Brazil)

2014-04-14

Polarization effects on the structure and dynamics of ionic liquids are investigated using molecular dynamics simulations. Four different ionic liquids were simulated, formed by the anions Cl{sup −} and PF{sub 6}{sup −}, treated as single fixed charge sites, and the 1-n-alkyl-3-methylimidazolium cations (1-ethyl and 1-butyl-), which are polarizable. The partial charge fluctuation of the cations is provided by the electronegativity equalization model (EEM) and a complete parameter set for the cations electronegativity (χ) and hardness (J) is presented. Results obtained from a non-polarizable model for the cations are also reported for comparison. Relative to the fixed charged model, the equilibrium structure of the first solvation shell around the imidazolium cations shows that inclusion of EEM polarization forces brings cations closer to each other and that anions are preferentially distributed above and below the plane of the imidazolium ring. The polarizable model yields faster translational and reorientational dynamics than the fixed charges model in the rotational-diffusion regime. In this sense, the polarizable model dynamics is in better agreement with the experimental data.

Dynamics of a structured neuron population

International Nuclear Information System (INIS)

Pakdaman, Khashayar; Salort, Delphine; Perthame, Benoît

2010-01-01

We study the dynamics of assemblies of interacting neurons. For large fully connected networks, the dynamics of the system can be described by a partial differential equation reminiscent of age-structure models used in mathematical ecology, where the 'age' of a neuron represents the time elapsed since its last discharge. The nonlinearity arises from the connectivity J of the network. We prove some mathematical properties of the model that are directly related to qualitative properties. On the one hand, we prove that it is well-posed and that it admits stationary states which, depending upon the connectivity, can be unique or not. On the other hand, we study the long time behaviour of solutions; both for small and large J, we prove the relaxation to the steady state describing asynchronous firing of the neurons. In the middle range, numerical experiments show that periodic solutions appear expressing re-synchronization of the network and asynchronous firing

Structural dynamics

CERN Document Server

Strømmen, Einar N

2014-01-01

This book introduces to the theory of structural dynamics, with focus on civil engineering structures that may be described by line-like beam or beam-column type of systems, or by a system of rectangular plates. Throughout this book the mathematical presentation contains a classical analytical description as well as a description in a discrete finite element format, covering the mathematical development from basic assumptions to the final equations ready for practical dynamic response predictions. Solutions are presented in time domain as well as in frequency domain. Structural Dynamics starts off at a basic level and step by step brings the reader up to a level where the necessary safety considerations to wind or horizontal ground motion induced dynamic design problems can be performed. The special theory of the tuned mass damper has been given a comprehensive treatment, as this is a theory not fully covered elsewhere. For the same reason a chapter on the problem of moving loads on beams has been included.

[Partially unfolded state of lysozyme with a developed secondary structure in dimethylsulfoxide].

Science.gov (United States)

Timchenko, A A; Kirkitadze, M D; Prokhorov, D A; Potekhin, S A; Serdiuk, I N

1996-06-01

The conformation of a chicken egg lysozyme molecule (dimensions, stoichiometry of its associates, and the degree of helicity) in DMSO was studied by small-angle neutron scattering, dynamic light scattering, and optical rotatory dispersion in the visible region of the spectrum. At high DMSO concentrations (70%), the protein was shown to exist as a dimer. The monomer molecules in the dimer adopt a partially unfolded conformation, with dimensions substantially greater than those in the native state and a high content of secondary structure (the degree of helicity is close to that of native lysozyme). This approach provides a unique possibility to assess the compactness of molecules in associates, which may be very useful in studying protein self-organization.

Partial synchronization and spontaneous spatial ordering in coupled chaotic systems

International Nuclear Information System (INIS)

Ying Zhang; Gang Hu; Cerdeira, Hilda A.; Shigang Chen; Braun, Thomas; Yugui Yao

2000-11-01

A model of many symmetrically and locally coupled chaotic oscillators is studied. Partial chaotic synchronizations associated with spontaneous spatial ordering are demonstrated. Very rich patterns of the system are revealed, based on partial synchronization analysis. The stabilities of different partially synchronous spatiotemporal structures and some novel dynamical behaviors of these states are discussed both numerically and analytically. (author)

Superlattice Structures, Electronic Properties, and Spin Dynamics of the Partially Cu-Extracted Phase for the Composite Crystal System CuxV4O11

Science.gov (United States)

Onoda, Masashige; Tamura, Asato

2017-02-01

The crystal structures, electronic properties, and spin dynamics of CuxV4O11 with 1.2 ≤ x electron paramagnetic resonance. This system has superlattice structures mainly ascribed to the partial ordering of Cu ions. Cu1.78V4O11 is triclinic with space group Pbar{1} and the double supercell of the V4O11 substructure of the composite crystal. The significantly Cu-extracted crystal Cu1.40V4O11 has a quadruple supercell with space group P1. The electron transport for V ions is nonmetallic owing to the polaronic nature and/or phonon softening and to the random potential of Cu ions. The Curie-Weiss-type paramagnetism basically originates from the Cu2+ chain coordinated octahedrally, and the EPR relaxation at low temperatures is understood through the exchange mechanism for the dipole-dipole and anisotropic exchange interactions. The near absence of paramagnetic behaviors of V4+ ions might be due to the spin-singlet ladder model or alternating-exchange chain model depending on the superlattice structure and valence distribution. The electrochemical performance of Li rechargeable batteries using this superlattice system is about 300 A h kg-1 at voltages above 2 V.

Imaging the equilibrium state and magnetization dynamics of partially built hard disk write heads

Energy Technology Data Exchange (ETDEWEB)

Valkass, R. A. J., E-mail: rajv202@ex.ac.uk; Yu, W.; Shelford, L. R.; Keatley, P. S.; Loughran, T. H. J.; Hicken, R. J. [School of Physics, University of Exeter, Stocker Road, Exeter EX4 4QL (United Kingdom); Cavill, S. A. [Diamond Light Source, Harwell Science and Innovation Campus, Didcot OX11 0DE (United Kingdom); Department of Physics, University of York, Heslington, York YO10 5DD (United Kingdom); Laan, G. van der; Dhesi, S. S. [Diamond Light Source, Harwell Science and Innovation Campus, Didcot OX11 0DE (United Kingdom); Bashir, M. A.; Gubbins, M. A. [Research and Development, Seagate Technology, 1 Disc Drive, Springtown Industrial Estate, Derry BT48 0BF (United Kingdom); Czoschke, P. J.; Lopusnik, R. [Recording Heads Operation, Seagate Technology, 7801 Computer Avenue South, Bloomington, Minnesota 55435 (United States)

2015-06-08

Four different designs of partially built hard disk write heads with a yoke comprising four repeats of NiFe (1 nm)/CoFe (50 nm) were studied by both x-ray photoemission electron microscopy (XPEEM) and time-resolved scanning Kerr microscopy (TRSKM). These techniques were used to investigate the static equilibrium domain configuration and the magnetodynamic response across the entire structure, respectively. Simulations and previous TRSKM studies have made proposals for the equilibrium domain configuration of similar structures, but no direct observation of the equilibrium state of the writers has yet been made. In this study, static XPEEM images of the equilibrium state of writer structures were acquired using x-ray magnetic circular dichroism as the contrast mechanism. These images suggest that the crystalline anisotropy dominates the equilibrium state domain configuration, but competition with shape anisotropy ultimately determines the stability of the equilibrium state. Dynamic TRSKM images were acquired from nominally identical devices. These images suggest that a longer confluence region may hinder flux conduction from the yoke into the pole tip: the shorter confluence region exhibits clear flux beaming along the symmetry axis, whereas the longer confluence region causes flux to conduct along one edge of the writer. The observed variations in dynamic response agree well with the differences in the equilibrium magnetization configuration visible in the XPEEM images, confirming that minor variations in the geometric design of the writer structure can have significant effects on the process of flux beaming.

Static structure, microscopic dynamics and electronic properties of the liquid Bi–Li alloy. An ab initio molecular dynamics study

International Nuclear Information System (INIS)

Souto, J; Alemany, M M G; Gallego, L J; González, L E; González, D J

2013-01-01

We report an ab initio molecular dynamics study of the static, dynamic and electronic properties of the liquid Bi x Li 1−x alloy, which is a complex binary system with a marked tendency to heterocoordination. The calculated total static structure factors are in good agreement with the available experimental data. The partial dynamic structure factors exhibit side peaks indicative of propagating density fluctuations, and for some concentrations we have found a density fluctuation mode with phase velocity greater than the hydrodynamic sound velocity. We have also evaluated other dynamical properties such as the diffusion coefficients, the shear viscosity and the adiabatic sound velocity. The electronic density of states show that the liquid Bi x Li 1−x alloy has a metallic character, although with strong deviations from the free-electron parabolic curve. The results reported improve the understanding of binary liquid alloys with both fast and slow propagating collective modes. (paper)

Energy-aware SQL query acceleration through FPGA-based dynamic partial reconfiguration

NARCIS (Netherlands)

Becher, Andreas; Bauer, Florian; Ziener, Daniel; Teich, Jürgen

2014-01-01

In this paper, we propose an approach for energy-aware FPGA-based query acceleration for databases on embedded devices. After the analysis of an incoming query, a query-specific hardware accelerator is generated on-the-fly and loaded on the FPGA for subsequent query execution using partial dynamic

Atomic-scale structure of dislocations revealed by scanning tunneling microscopy and molecular dynamics

DEFF Research Database (Denmark)

Christiansen, Jesper; Morgenstern, K.; Schiøtz, Jakob

2002-01-01

The intersection between dislocations and a Ag(111) surface has been studied using an interplay of scanning tunneling microscopy (STM) and molecular dynamics. Whereas the STM provides atomically resolved information about the surface structure and Burgers vectors of the dislocations, the simulati......The intersection between dislocations and a Ag(111) surface has been studied using an interplay of scanning tunneling microscopy (STM) and molecular dynamics. Whereas the STM provides atomically resolved information about the surface structure and Burgers vectors of the dislocations......, the simulations can be used to determine dislocation structure and orientation in the near-surface region. In a similar way, the subsurface structure of other extended defects can be studied. The simulations show dislocations to reorient the partials in the surface region leading to an increased splitting width...

Nonlinear dynamics of structures

CERN Document Server

Oller, Sergio

2014-01-01

This book lays the foundation of knowledge that will allow a better understanding of nonlinear phenomena that occur in structural dynamics.   This work is intended for graduate engineering students who want to expand their knowledge on the dynamic behavior of structures, specifically in the nonlinear field, by presenting the basis of dynamic balance in non‐linear behavior structures due to the material and kinematics mechanical effects.   Particularly, this publication shows the solution of the equation of dynamic equilibrium for structure with nonlinear time‐independent materials (plasticity, damage and frequencies evolution), as well as those time dependent non‐linear behavior materials (viscoelasticity and viscoplasticity). The convergence conditions for the non‐linear dynamic structure solution  are studied, and the theoretical concepts and its programming algorithms are presented.  

Dynamic programming approach for partial decision rule optimization

KAUST Repository

Amin, Talha

2012-10-04

This paper is devoted to the study of an extension of dynamic programming approach which allows optimization of partial decision rules relative to the length or coverage. We introduce an uncertainty measure J(T) which is the difference between number of rows in a decision table T and number of rows with the most common decision for T. For a nonnegative real number γ, we consider γ-decision rules (partial decision rules) that localize rows in subtables of T with uncertainty at most γ. Presented algorithm constructs a directed acyclic graph Δ γ(T) which nodes are subtables of the decision table T given by systems of equations of the kind "attribute = value". This algorithm finishes the partitioning of a subtable when its uncertainty is at most γ. The graph Δ γ(T) allows us to describe the whole set of so-called irredundant γ-decision rules. We can optimize such set of rules according to length or coverage. This paper contains also results of experiments with decision tables from UCI Machine Learning Repository.

Dynamic programming approach for partial decision rule optimization

KAUST Repository

Amin, Talha M.; Chikalov, Igor; Moshkov, Mikhail; Zielosko, Beata

2012-01-01

This paper is devoted to the study of an extension of dynamic programming approach which allows optimization of partial decision rules relative to the length or coverage. We introduce an uncertainty measure J(T) which is the difference between number of rows in a decision table T and number of rows with the most common decision for T. For a nonnegative real number γ, we consider γ-decision rules (partial decision rules) that localize rows in subtables of T with uncertainty at most γ. Presented algorithm constructs a directed acyclic graph Δ γ(T) which nodes are subtables of the decision table T given by systems of equations of the kind "attribute = value". This algorithm finishes the partitioning of a subtable when its uncertainty is at most γ. The graph Δ γ(T) allows us to describe the whole set of so-called irredundant γ-decision rules. We can optimize such set of rules according to length or coverage. This paper contains also results of experiments with decision tables from UCI Machine Learning Repository.

Partial Safety Factors and Target Reliability Level in Danish Structural Codes

DEFF Research Database (Denmark)

Sørensen, John Dalsgaard; Hansen, J. O.; Nielsen, T. A.

2001-01-01

The partial safety factors in the newly revised Danish structural codes have been derived using a reliability-based calibration. The calibrated partial safety factors result in the same average reliability level as in the previous codes, but a much more uniform reliability level has been obtained....... The paper describes the code format, the stochastic models and the resulting optimised partial safety factors....

Structural Dynamics

International Nuclear Information System (INIS)

Kim, Du Gi

2005-08-01

This book introduces summary of structural dynamics, the reason of learning of structural dynamics, single-degree of freedom system, simple harmonic vibration and application, numerical analysis method, such as time domain and frequency domain and nonlinear system, multi-degree of freedom system random vibration over discrete distribution, continuous distribution and extreme value distribution, circumstance vibration, earth quake vibration, including input earthquake, and earthquake-resistant design and capacity spectrum method, wind oscillation wave vibration, vibration control and maintenance control.

Neutrons probing the structure and dynamics of liquids

International Nuclear Information System (INIS)

Leclercq-Hugeux, F.; Coulet, M.V.; Gaspard, J.P.; Pouget, St.; Zanotti, J.M.

2007-01-01

This article illustrates the benefits of neutron techniques to the understanding of the liquid state. As opposed to the nearly complete order of crystals or the nearly complete disorder of gas, the disorder of a liquid is partial and results from dynamical events acting on a broad range of space and time scales. Consequently, no single, simple parameter can encompass the concept of order or disorder in the liquid state. The wide variety of neutron techniques (diffraction, quasi-elastic and inelastic scattering) is a key asset to solve the issue. Selected studies ranging over typical interactions and conditions relevant to liquids (metallic, covalent, molecular, liquids near a phase transition and confined fluids) are presented. In each case, both structural and dynamical aspects, along with the connections to complementary techniques (computer simulation, X-ray absorption and/or scattering) are highlighted. (authors)

Partial structures in molten AgBr

Energy Technology Data Exchange (ETDEWEB)

Ueno, Hiroki [Department of Condensed Matter Chemistry and Physics, Faculty of Sciences, Kyushu University, 4-2-1 Ropponmatsu, Chuo-ku, Fukuoka 810-8560 (Japan)], E-mail: ueno@gemini.rc.kyushu-u.ac.jp; Tahara, Shuta [Faculty of Pharmacy, Niigata University of Pharmacy and Applied Life Science, Higashijima, Akiha-ku, Niigata 956-8603 (Japan); Kawakita, Yukinobu [Department of Physics, Faculty of Sciences, Kyushu University, 4-2-1 Ropponmatsu, Chuo-ku, Fukuoka 810-8560 (Japan); Kohara, Shinji [Research and Utilization Division, Japan Synchrotron Radiation Research Institute (JASRI, SPring-8), 1-1-1 Koto, Sayo-cho, Sayo-gun, Hyogo 679-5198 (Japan); Takeda, Shin' ichi [Department of Physics, Faculty of Sciences, Kyushu University, 4-2-1 Ropponmatsu, Chuo-ku, Fukuoka 810-8560 (Japan)

2009-02-21

The structure of molten AgBr has been studied by means of neutron and X-ray diffractions with the aid of structural modeling. It is confirmed that the Ag-Ag correlation has a small but well-defined first peak in the partial pair distribution function whose tail penetrates into the Ag-Br nearest neighbor distribution. This feature on the Ag-Ag correlation is intermediate between that of molten AgCl (non-superionic melt) and that of molten AgI (superionic melt). The analysis of Br-Ag-Br bond angle reveals that molten AgBr preserves a rocksalt type local ordering in the solid phase, suggesting that molten AgBr is clarified as non-superionic melt like molten AgCl.

Dynamical X-ray scattering from the relaxed structures

International Nuclear Information System (INIS)

Benediktovitch, A.; Feranchuk, I.; Ulyanenkov, A.

2009-01-01

High-resolution X-ray diffraction is now widely used analytical tool for investigation of nano scale multilayered structures in semiconductor and optical technologies. The HRXRD method delivers unique information on the crystallographic lattice of the samples, concentration of solid solutions, lattice mismatches, layer thicknesses, defect distribution, and relaxation degree of the epitaxial layers. The evaluation of the experimental results, however, requires a robust and precise theory due to complex dynamical scattering of X-rays from near perfect crystallographic structure of the samples. Usually, the Takagi-Taupin approach [1] or the recurrent matrix methods [2] are used for the simulation of the X-ray diffraction profiles from the epitaxial multilayered structures. The use of these theories, however, becomes essentially difficult, when the lateral lattice mismatches are present in multilayers, for example, in the case of partially or fully relaxed epitaxially grown samples. In the present work, the general solution of this problem is found analytically. The angular divergence of the incident beam is also considered and the algorithm for the diffracted profile mapping in the reciprocal space is developed. The experimental reciprocal space mapping of typical AlGaN/GaN/AlN samples with partially relaxed layers is compared to the simulated maps, which describe well the location and character of the diffraction spots caused by different layers. (author)

Impact of Partial Time Delay on Temporal Dynamics of Watts-Strogatz Small-World Neuronal Networks

Science.gov (United States)

Yan, Hao; Sun, Xiaojuan

2017-06-01

In this paper, we mainly discuss effects of partial time delay on temporal dynamics of Watts-Strogatz (WS) small-world neuronal networks by controlling two parameters. One is the time delay τ and the other is the probability of partial time delay pdelay. Temporal dynamics of WS small-world neuronal networks are discussed with the aid of temporal coherence and mean firing rate. With the obtained simulation results, it is revealed that for small time delay τ, the probability pdelay could weaken temporal coherence and increase mean firing rate of neuronal networks, which indicates that it could improve neuronal firings of the neuronal networks while destroying firing regularity. For large time delay τ, temporal coherence and mean firing rate do not have great changes with respect to pdelay. Time delay τ always has great influence on both temporal coherence and mean firing rate no matter what is the value of pdelay. Moreover, with the analysis of spike trains and histograms of interspike intervals of neurons inside neuronal networks, it is found that the effects of partial time delays on temporal coherence and mean firing rate could be the result of locking between the period of neuronal firing activities and the value of time delay τ. In brief, partial time delay could have great influence on temporal dynamics of the neuronal networks.

Structural biology by NMR: structure, dynamics, and interactions.

Directory of Open Access Journals (Sweden)

Phineus R L Markwick

2008-09-01

Full Text Available The function of bio-macromolecules is determined by both their 3D structure and conformational dynamics. These molecules are inherently flexible systems displaying a broad range of dynamics on time-scales from picoseconds to seconds. Nuclear Magnetic Resonance (NMR spectroscopy has emerged as the method of choice for studying both protein structure and dynamics in solution. Typically, NMR experiments are sensitive both to structural features and to dynamics, and hence the measured data contain information on both. Despite major progress in both experimental approaches and computational methods, obtaining a consistent view of structure and dynamics from experimental NMR data remains a challenge. Molecular dynamics simulations have emerged as an indispensable tool in the analysis of NMR data.

Coal structure construction system with construction knowledge and partial energy evaluation; Kochiku chishiki to bubunteki energy hyoka ni yoru sekitan bunshi kozo kochiku system

Energy Technology Data Exchange (ETDEWEB)

Okawa, T.; Sasai, T.; Komoda, N. [Osaka University, Osaka (Japan). Faculty of Engineering

1996-10-28

The computer aided coal structure construction system is proposed, and a computational construction example is presented. The coal structure construction engine of this system fabricates molecular structure by connecting fragments sequentially inputted through a user interface. The best structure candidate is determined using construction knowledge and partial energy evaluation every addition of one fragment, and this process is subsequently repeated. The structure evaluation engine analyzes the 3-D conformation candidate by molecular dynamics, and evaluates the conformation by determining the energy value of an optimum structure. As an example, this system was applied to construction of coal molecular structure based on the actual data of partial structure composed of 26 structures from 2l kinds of aromatic cluster structures, 27 bonds from 2 kinds of bridged bonds, and 16 groups from 2 kinds of terminal substitutional groups. As a result, this system could construct a superior structure according to expert knowledge from the viewpoint of energy. 6 refs., 5 figs., 2 tabs.

The puzzle of partial migration: Adaptive dynamics and evolutionary game theory perspectives.

Science.gov (United States)

De Leenheer, Patrick; Mohapatra, Anushaya; Ohms, Haley A; Lytle, David A; Cushing, J M

2017-01-07

We consider the phenomenon of partial migration which is exhibited by populations in which some individuals migrate between habitats during their lifetime, but others do not. First, using an adaptive dynamics approach, we show that partial migration can be explained on the basis of negative density dependence in the per capita fertilities alone, provided that this density dependence is attenuated for increasing abundances of the subtypes that make up the population. We present an exact formula for the optimal proportion of migrants which is expressed in terms of the vital rates of migrant and non-migrant subtypes only. We show that this allocation strategy is both an evolutionary stable strategy (ESS) as well as a convergence stable strategy (CSS). To establish the former, we generalize the classical notion of an ESS because it is based on invasion exponents obtained from linearization arguments, which fail to capture the stabilizing effects of the nonlinear density dependence. These results clarify precisely when the notion of a "weak ESS", as proposed in Lundberg (2013) for a related model, is a genuine ESS. Secondly, we use an evolutionary game theory approach, and confirm, once again, that partial migration can be attributed to negative density dependence alone. In this context, the result holds even when density dependence is not attenuated. In this case, the optimal allocation strategy towards migrants is the same as the ESS stemming from the analysis based on the adaptive dynamics. The key feature of the population models considered here is that they are monotone dynamical systems, which enables a rather comprehensive mathematical analysis. Copyright © 2016 Elsevier Ltd. All rights reserved.

The use of the partial coherence function technique for the investigation of BWR noise dynamics

International Nuclear Information System (INIS)

Kostic, Lj.

1983-01-01

The extensive experimental investigations, at the last time, indicate that the partial coherence function technique can be a powerful method of the investigation of BWR noise dynamics. Symple BWR noise dynamics model for the global noise study, based on different noise phenomena, is proposed in this paper. (author)

Parsing partial molar volumes of small molecules: a molecular dynamics study.

Science.gov (United States)

Patel, Nisha; Dubins, David N; Pomès, Régis; Chalikian, Tigran V

2011-04-28

We used molecular dynamics (MD) simulations in conjunction with the Kirkwood-Buff theory to compute the partial molar volumes for a number of small solutes of various chemical natures. We repeated our computations using modified pair potentials, first, in the absence of the Coulombic term and, second, in the absence of the Coulombic and the attractive Lennard-Jones terms. Comparison of our results with experimental data and the volumetric results of Monte Carlo simulation with hard sphere potentials and scaled particle theory-based computations led us to conclude that, for small solutes, the partial molar volume computed with the Lennard-Jones potential in the absence of the Coulombic term nearly coincides with the cavity volume. On the other hand, MD simulations carried out with the pair interaction potentials containing only the repulsive Lennard-Jones term produce unrealistically large partial molar volumes of solutes that are close to their excluded volumes. Our simulation results are in good agreement with the reported schemes for parsing partial molar volume data on small solutes. In particular, our determined interaction volumes() and the thickness of the thermal volume for individual compounds are in good agreement with empirical estimates. This work is the first computational study that supports and lends credence to the practical algorithms of parsing partial molar volume data that are currently in use for molecular interpretations of volumetric data.

Structural dynamics in FBR

International Nuclear Information System (INIS)

Bhoje, S.B.

2003-01-01

In view of thin walled large diameter shell structures with associated fluid effects, structural dynamics problems are very critical in a fast breeder reactor. Structural characteristics and consequent structural dynamics problems in typical pool type Fast Breeder Reactor are highlighted. A few important structural dynamics problems are pump induced as well as flow induced vibrations, seismic excitations, pressure transients in the intermediate heat exchangers and pipings due to a large sodium water reaction in the steam generator, and core disruptive accident loadings. The vibration problems which call for identification of excitation forces, formulation of special governing equations and detailed analysis with fluid structure interaction and sloshing effects, particularly for the components such as PSP, inner vessel, CP, CSRDM and TB are elaborated. Seismic design issues are presented in a comprehensive way. Other transient loadings which are specific to FBR, resulting from sodium-water reaction and core disruptive accident are highlighted. A few important results of theoretical as well as experimental works carried out for 500 MWe Prototype Fast Breeder Reactor (PFBR), in the domain of structural dynamics are presented. (author)

Robust Dynamics and Control of a Partially Observed Markov Chain

International Nuclear Information System (INIS)

Elliott, R. J.; Malcolm, W. P.; Moore, J. P.

2007-01-01

In a seminal paper, Martin Clark (Communications Systems and Random Process Theory, Darlington, 1977, pp. 721-734, 1978) showed how the filtered dynamics giving the optimal estimate of a Markov chain observed in Gaussian noise can be expressed using an ordinary differential equation. These results offer substantial benefits in filtering and in control, often simplifying the analysis and an in some settings providing numerical benefits, see, for example Malcolm et al. (J. Appl. Math. Stoch. Anal., 2007, to appear).Clark's method uses a gauge transformation and, in effect, solves the Wonham-Zakai equation using variation of constants. In this article, we consider the optimal control of a partially observed Markov chain. This problem is discussed in Elliott et al. (Hidden Markov Models Estimation and Control, Applications of Mathematics Series, vol. 29, 1995). The innovation in our results is that the robust dynamics of Clark are used to compute forward in time dynamics for a simplified adjoint process. A stochastic minimum principle is established

Investigation of the Dynamics of a Clamped-Clamped Microbeam Near the Third Mode Using a Partial Electrode

KAUST Repository

Masri, Karim M.

2014-08-17

We present an investigation of the dynamics of a clamped-clamped microbeam excited electrostatically near its third mode. To maximize the response at the third mode, a partial electrode configuration is utilized. A multi-mode Galerkin method is used to develop a reduced order model (ROM) of the beam. A shooting method to find the periodic motion is utilized to generate frequency response curves. The curves show hardenining behavior and dynamic pull-in. We show that the dynamic amplitude of the partial configuration is higher than that of a full electrode configuration. These results are promising for the use of higher-order modes for mass detection and for ultra sensitive resonant sensors.

Investigation of the Dynamics of a Clamped-Clamped Microbeam Near the Third Mode Using a Partial Electrode

KAUST Repository

Masri, Karim M.; Younis, Mohammad I.

2014-01-01

We present an investigation of the dynamics of a clamped-clamped microbeam excited electrostatically near its third mode. To maximize the response at the third mode, a partial electrode configuration is utilized. A multi-mode Galerkin method is used to develop a reduced order model (ROM) of the beam. A shooting method to find the periodic motion is utilized to generate frequency response curves. The curves show hardenining behavior and dynamic pull-in. We show that the dynamic amplitude of the partial configuration is higher than that of a full electrode configuration. These results are promising for the use of higher-order modes for mass detection and for ultra sensitive resonant sensors.

Turbulent Dynamics of Partially-Ionized Fluids in 2D

Science.gov (United States)

Benavides, S.; Flierl, G.

2017-12-01

Ionization occurs in the upper atmospheres of Hot Jupiters, as well asthe interiors of Gas Giants, leading to Magnetohydrodynamic (MHD) effectswhich can significantly alter the flow. The interactions of these MHDregions with the non-ionized atmosphere will occur in transitionregions where only a fraction of the fluid is ionized. We areexploring the dynamics of Partially-Ionized MHD (PIMHD) using a twofluid model - one neutral and one ionized and subject to MHD -coupled by a collision, or Joule heating, term proportional to thedifference in velocities. By varying both the ionization fraction aswell as the collision frequency (coupling), we examine the parameterspace of 2D PIMHD turbulence in hopes of better understanding itscharacteristics in certain, possibly realistic, regimes. We payparticular attention to the Joule heating term and its role indissipation and energy exchange between the two species. Thisknowledge will serve as the basis to further studies in which we lookat, in a more realistic setting, the PIMHD dynamics in Gas Giant orHot Jupiter atmospheres.

Critical analysis of partial discharge dynamics in air filled spherical voids

Science.gov (United States)

Callender, G.; Golosnoy, I. O.; Rapisarda, P.; Lewin, P. L.

2018-03-01

In this paper partial discharge (PD) is investigated inside a spherical air filled void at atmospheric pressure using a drift diffusion model. Discharge dynamics consisted of an electron avalanche transitioning into positive streamer, in agreement with earlier work on dielectric barrier discharges. Different model configurations were utilised to test many of the concepts employed in semi-analytical PD activity models, which use simplistic descriptions of the discharge dynamics. The results showed that many of these concepts may be erroneous, with significant discrepancies between the canonical reasoning and the simulation results. For example, the residual electric field, the electric field after a discharge, is significantly lower than the estimates used by classical PD activity models in the literature.

Spreading paths in partially observed social networks

Science.gov (United States)

Onnela, Jukka-Pekka; Christakis, Nicholas A.

2012-03-01

Understanding how and how far information, behaviors, or pathogens spread in social networks is an important problem, having implications for both predicting the size of epidemics, as well as for planning effective interventions. There are, however, two main challenges for inferring spreading paths in real-world networks. One is the practical difficulty of observing a dynamic process on a network, and the other is the typical constraint of only partially observing a network. Using static, structurally realistic social networks as platforms for simulations, we juxtapose three distinct paths: (1) the stochastic path taken by a simulated spreading process from source to target; (2) the topologically shortest path in the fully observed network, and hence the single most likely stochastic path, between the two nodes; and (3) the topologically shortest path in a partially observed network. In a sampled network, how closely does the partially observed shortest path (3) emulate the unobserved spreading path (1)? Although partial observation inflates the length of the shortest path, the stochastic nature of the spreading process also frequently derails the dynamic path from the shortest path. We find that the partially observed shortest path does not necessarily give an inflated estimate of the length of the process path; in fact, partial observation may, counterintuitively, make the path seem shorter than it actually is.

Spreading paths in partially observed social networks.

Science.gov (United States)

Onnela, Jukka-Pekka; Christakis, Nicholas A

2012-03-01

Understanding how and how far information, behaviors, or pathogens spread in social networks is an important problem, having implications for both predicting the size of epidemics, as well as for planning effective interventions. There are, however, two main challenges for inferring spreading paths in real-world networks. One is the practical difficulty of observing a dynamic process on a network, and the other is the typical constraint of only partially observing a network. Using static, structurally realistic social networks as platforms for simulations, we juxtapose three distinct paths: (1) the stochastic path taken by a simulated spreading process from source to target; (2) the topologically shortest path in the fully observed network, and hence the single most likely stochastic path, between the two nodes; and (3) the topologically shortest path in a partially observed network. In a sampled network, how closely does the partially observed shortest path (3) emulate the unobserved spreading path (1)? Although partial observation inflates the length of the shortest path, the stochastic nature of the spreading process also frequently derails the dynamic path from the shortest path. We find that the partially observed shortest path does not necessarily give an inflated estimate of the length of the process path; in fact, partial observation may, counterintuitively, make the path seem shorter than it actually is.

Structural changes of noble metal catalysts during ignition and extinction of the partial oxidation of methane studied by advanced QEXAFS techniques

DEFF Research Database (Denmark)

Grunwaldt, Jan-Dierk; Beier, M.; Kimmerle, B.

2009-01-01

The dynamics of the ignition and extinction of the catalytic partial oxidation (CPO) of methane to hydrogen and carbon monoxide over Pt-Rh/Al2O3 and Pt/Al2O3 were studied in the subsecond timescale using quick-EXAFS with a novel cam-driven X-ray monochromator employing Si(111) and Si(311) crystals...... to discuss the potential and limitation of this technique in catalysis and related areas. With respect to the noble metal catalysed partial oxidation of methane, several interesting observations were made: structural changes during ignition were-independent of the chosen reaction conditions......-significantly faster than during the extinction of the reaction. The dynamic behavior of the catalysts was dependent on the flow conditions and the respective noble metal component(s). Higher reaction gas flow led to a faster ignition process. While the ignition over Pt-Rh/Al2O3 occurred at lower temperature than over...

Reinforcement learning for partially observable dynamic processes: adaptive dynamic programming using measured output data.

Science.gov (United States)

Lewis, F L; Vamvoudakis, Kyriakos G

2011-02-01

Approximate dynamic programming (ADP) is a class of reinforcement learning methods that have shown their importance in a variety of applications, including feedback control of dynamical systems. ADP generally requires full information about the system internal states, which is usually not available in practical situations. In this paper, we show how to implement ADP methods using only measured input/output data from the system. Linear dynamical systems with deterministic behavior are considered herein, which are systems of great interest in the control system community. In control system theory, these types of methods are referred to as output feedback (OPFB). The stochastic equivalent of the systems dealt with in this paper is a class of partially observable Markov decision processes. We develop both policy iteration and value iteration algorithms that converge to an optimal controller that requires only OPFB. It is shown that, similar to Q -learning, the new methods have the important advantage that knowledge of the system dynamics is not needed for the implementation of these learning algorithms or for the OPFB control. Only the order of the system, as well as an upper bound on its "observability index," must be known. The learned OPFB controller is in the form of a polynomial autoregressive moving-average controller that has equivalent performance with the optimal state variable feedback gain.

Evidence from a partial report task for forgetting in dynamic spatial memory.

Science.gov (United States)

Gugerty, L

1998-09-01

G. Sperling (1960) and others have investigated memory for briefly presented stimuli by using a partial versus whole report technique in which participants sometimes reported part of a stimulus array and sometimes reported all of it. For simple, static stimulus displays, the partial report technique showed that participants could recall most of the information in the stimulus array but that this information faded quickly when participants engaged in whole report recall. An experiment was conducted that applied the partial report method to a task involving complex displays of moving objects. In the experiment, 26 participants viewed cars in a low-fidelity driving simulator and then reported the locations of some or all of the cars in each scene. A statistically significant advantage was found for the partial report trials. This finding suggests that detailed spatial location information was forgotten from dynamic spatial memory over the 14 s that it took participants to recall whole report trials. The experiment results suggest better ways of measuring situation awareness. Partial report recall techniques may give a more accurate measure of people's momentary situation awareness than whole report techniques. Potential applications of this research include simulator-based measures of situation awareness ability that can be part of inexpensive test batteries to select people for real-time tasks (e.g., in a driver licensing battery) and to identify people who need additional training.

An Improved Generalized Predictive Control in a Robust Dynamic Partial Least Square Framework

Directory of Open Access Journals (Sweden)

Jin Xin

2015-01-01

Full Text Available To tackle the sensitivity to outliers in system identification, a new robust dynamic partial least squares (PLS model based on an outliers detection method is proposed in this paper. An improved radial basis function network (RBFN is adopted to construct the predictive model from inputs and outputs dataset, and a hidden Markov model (HMM is applied to detect the outliers. After outliers are removed away, a more robust dynamic PLS model is obtained. In addition, an improved generalized predictive control (GPC with the tuning weights under dynamic PLS framework is proposed to deal with the interaction which is caused by the model mismatch. The results of two simulations demonstrate the effectiveness of proposed method.

Structural Dynamics, Vol. 9

DEFF Research Database (Denmark)

Nielsen, Søren R.K.

This book has been prepared for the course on Computational Dynamics given at the 8th semester at the structural program in civil engineering at Aalborg University.......This book has been prepared for the course on Computational Dynamics given at the 8th semester at the structural program in civil engineering at Aalborg University....

The design value method and adjusted partial factor approach for existing structures

NARCIS (Netherlands)

Caspeele, R.; Sykora, M.; Allaix, D.L.; Steenbergen, R.D.J.M.

2013-01-01

In contrast to the design of new structures, the assessment of existing structures often relies on the subjective judgement of the investigating engineer. An objective verification format for existing structures based on alternative partial factors is however feasible, enabling a rather simple and

Partial scan artifact reduction (PSAR) for the assessment of cardiac perfusion in dynamic phase-correlated CT.

Science.gov (United States)

Stenner, Philip; Schmidt, Bernhard; Bruder, Herbert; Allmendinger, Thomas; Haberland, Ulrike; Flohr, Thomas; Kachelriess, Marc

2009-12-01

Cardiac CT achieves its high temporal resolution by lowering the scan range from 2pi to pi plus fan angle (partial scan). This, however, introduces CT-value variations, depending on the angular position of the pi range. These partial scan artifacts are of the order of a few HU and prevent the quantitative evaluation of perfusion measurements. The authors present the new algorithm partial scan artifact reduction (PSAR) that corrects a dynamic phase-correlated scan without a priori information. In general, a full scan does not suffer from partial scan artifacts since all projections in [0, 2pi] contribute to the data. To maintain the optimum temporal resolution and the phase correlation, PSAR creates an artificial full scan pn(AF) by projectionwise averaging a set of neighboring partial scans pn(P) from the same perfusion examination (typically N approximately 30 phase-correlated partial scans distributed over 20 s and n = 1, ..., N). Corresponding to the angular range of each partial scan, the authors extract virtual partial scans pn(V) from the artificial full scan pn(AF). A standard reconstruction yields the corresponding images fn(P), fn(AF), and fn(V). Subtracting the virtual partial scan image fn(V) from the artificial full scan image fn(AF) yields an artifact image that can be used to correct the original partial scan image: fn(C) = fn(P) - fn(V) + fn(AF), where fn(C) is the corrected image. The authors evaluated the effects of scattered radiation on the partial scan artifacts using simulated and measured water phantoms and found a strong correlation. The PSAR algorithm has been validated with a simulated semianthropomorphic heart phantom and with measurements of a dynamic biological perfusion phantom. For the stationary phantoms, real full scans have been performed to provide theoretical reference values. The improvement in the root mean square errors between the full and the partial scans with respect to the errors between the full and the corrected scans is

Partial scan artifact reduction (PSAR) for the assessment of cardiac perfusion in dynamic phase-correlated CT

International Nuclear Information System (INIS)

Stenner, Philip; Schmidt, Bernhard; Bruder, Herbert; Allmendinger, Thomas; Haberland, Ulrike; Flohr, Thomas; Kachelriess, Marc

2009-01-01

Purpose: Cardiac CT achieves its high temporal resolution by lowering the scan range from 2π to π plus fan angle (partial scan). This, however, introduces CT-value variations, depending on the angular position of the π range. These partial scan artifacts are of the order of a few HU and prevent the quantitative evaluation of perfusion measurements. The authors present the new algorithm partial scan artifact reduction (PSAR) that corrects a dynamic phase-correlated scan without a priori information. Methods: In general, a full scan does not suffer from partial scan artifacts since all projections in [0, 2π] contribute to the data. To maintain the optimum temporal resolution and the phase correlation, PSAR creates an artificial full scan p n AF by projectionwise averaging a set of neighboring partial scans p n P from the same perfusion examination (typically N≅30 phase-correlated partial scans distributed over 20 s and n=1,...,N). Corresponding to the angular range of each partial scan, the authors extract virtual partial scans p n V from the artificial full scan p n AF . A standard reconstruction yields the corresponding images f n P , f n AF , and f n V . Subtracting the virtual partial scan image f n V from the artificial full scan image f n AF yields an artifact image that can be used to correct the original partial scan image: f n C =f n P -f n V +f n AF , where f n C is the corrected image. Results: The authors evaluated the effects of scattered radiation on the partial scan artifacts using simulated and measured water phantoms and found a strong correlation. The PSAR algorithm has been validated with a simulated semianthropomorphic heart phantom and with measurements of a dynamic biological perfusion phantom. For the stationary phantoms, real full scans have been performed to provide theoretical reference values. The improvement in the root mean square errors between the full and the partial scans with respect to the errors between the full and the

Decoding Structural Properties of a Partially Unfolded Protein Substrate: En Route to Chaperone Binding.

Science.gov (United States)

Nagpal, Suhani; Tiwari, Satyam; Mapa, Koyeli; Thukral, Lipi

2015-01-01

Many proteins comprising of complex topologies require molecular chaperones to achieve their unique three-dimensional folded structure. The E.coli chaperone, GroEL binds with a large number of unfolded and partially folded proteins, to facilitate proper folding and prevent misfolding and aggregation. Although the major structural components of GroEL are well defined, scaffolds of the non-native substrates that determine chaperone-mediated folding have been difficult to recognize. Here we performed all-atomistic and replica-exchange molecular dynamics simulations to dissect non-native ensemble of an obligate GroEL folder, DapA. Thermodynamics analyses of unfolding simulations revealed populated intermediates with distinct structural characteristics. We found that surface exposed hydrophobic patches are significantly increased, primarily contributed from native and non-native β-sheet elements. We validate the structural properties of these conformers using experimental data, including circular dichroism (CD), 1-anilinonaphthalene-8-sulfonic acid (ANS) binding measurements and previously reported hydrogen-deutrium exchange coupled to mass spectrometry (HDX-MS). Further, we constructed network graphs to elucidate long-range intra-protein connectivity of native and intermediate topologies, demonstrating regions that serve as central "hubs". Overall, our results implicate that genomic variations (or mutations) in the distinct regions of protein structures might disrupt these topological signatures disabling chaperone-mediated folding, leading to formation of aggregates.

Structural stability of nonlinear population dynamics.

Science.gov (United States)

Cenci, Simone; Saavedra, Serguei

2018-01-01

In population dynamics, the concept of structural stability has been used to quantify the tolerance of a system to environmental perturbations. Yet, measuring the structural stability of nonlinear dynamical systems remains a challenging task. Focusing on the classic Lotka-Volterra dynamics, because of the linearity of the functional response, it has been possible to measure the conditions compatible with a structurally stable system. However, the functional response of biological communities is not always well approximated by deterministic linear functions. Thus, it is unclear the extent to which this linear approach can be generalized to other population dynamics models. Here, we show that the same approach used to investigate the classic Lotka-Volterra dynamics, which is called the structural approach, can be applied to a much larger class of nonlinear models. This class covers a large number of nonlinear functional responses that have been intensively investigated both theoretically and experimentally. We also investigate the applicability of the structural approach to stochastic dynamical systems and we provide a measure of structural stability for finite populations. Overall, we show that the structural approach can provide reliable and tractable information about the qualitative behavior of many nonlinear dynamical systems.

Structural stability of nonlinear population dynamics

Science.gov (United States)

Cenci, Simone; Saavedra, Serguei

2018-01-01

In population dynamics, the concept of structural stability has been used to quantify the tolerance of a system to environmental perturbations. Yet, measuring the structural stability of nonlinear dynamical systems remains a challenging task. Focusing on the classic Lotka-Volterra dynamics, because of the linearity of the functional response, it has been possible to measure the conditions compatible with a structurally stable system. However, the functional response of biological communities is not always well approximated by deterministic linear functions. Thus, it is unclear the extent to which this linear approach can be generalized to other population dynamics models. Here, we show that the same approach used to investigate the classic Lotka-Volterra dynamics, which is called the structural approach, can be applied to a much larger class of nonlinear models. This class covers a large number of nonlinear functional responses that have been intensively investigated both theoretically and experimentally. We also investigate the applicability of the structural approach to stochastic dynamical systems and we provide a measure of structural stability for finite populations. Overall, we show that the structural approach can provide reliable and tractable information about the qualitative behavior of many nonlinear dynamical systems.

Hyperbolic partial differential equations

CERN Document Server

Witten, Matthew

1986-01-01

Hyperbolic Partial Differential Equations III is a refereed journal issue that explores the applications, theory, and/or applied methods related to hyperbolic partial differential equations, or problems arising out of hyperbolic partial differential equations, in any area of research. This journal issue is interested in all types of articles in terms of review, mini-monograph, standard study, or short communication. Some studies presented in this journal include discretization of ideal fluid dynamics in the Eulerian representation; a Riemann problem in gas dynamics with bifurcation; periodic M

Modelling and investigation of partial wetting surfaces for drop dynamics using lattice Boltzmann method

Energy Technology Data Exchange (ETDEWEB)

Pravinraj, T., E-mail: pravinraj1711@gmail.com; Patrikar, Rajendra

2017-07-01

Highlights: • A LBM model on partial wetting surface for droplet dynamics is presented by introducing a simple initial partial wetting boundary condition in SC model. • With our approach one can tune the splitting volume and time by carefully choosing strip width and position. • It is shown that the droplet spreading on chemically heterogeneous surfaces can be controlled not only by Weber number but also by tuning strip width ratio. • The directional transportation of a droplet due to chemical wetting gradient is simulated and analyzed using hybrid thermodynamic-image processing technique. • Microstructure surface and its influence on the directional wetting based transportation of droplet are demonstrated. - Abstract: Partial wetting surfaces and its influence on the droplet movement of micro and nano scale being contemplated for many useful applications. The dynamics of the droplet usually analyzed with a multiphase lattice Boltzmann method (LBM). In this paper, the influence of partial wetting surface on the dynamics of droplet is systematically analyzed for various cases. Splitting of droplets due to chemical gradient of the surface is studied and analyses of splitting time for various widths of the strips for different Weber numbers are computed. With the proposed model one can tune the splitting volume and time by carefully choosing a strip width and droplet position. The droplet spreading on chemically heterogeneous surfaces shows that the spreading can be controlled not only by parameters of Weber number but also by tuning strip width ratio. The transportation of the droplet from hydrophobic surface to hydrophilic surface due to chemical gradient is simulated and analyzed using our hybrid thermodynamic-image processing technique. The results prove that with the progress of time the surface free energy decreases with increase in spreading area. Finally, the transportation of a droplet on microstructure gradient is demonstrated. The model explains

Dynamics of structures

CERN Document Server

Paultre, Patrick

2013-01-01

This book covers structural dynamics from a theoretical and algorithmic approach. It covers systems with both single and multiple degrees-of-freedom. Numerous case studies are given to provide the reader with a deeper insight into the practicalities of the area, and the solutions to these case studies are given in terms of real-time and frequency in both geometric and modal spaces. Emphasis is also given to the subject of seismic loading. The text is based on many lectures on the subject of structural dynamics given at numerous institutions and thus will be an accessible and practical aid to

Structure, Reactivity and Dynamics

Indian Academy of Sciences (India)

Understanding structure, reactivity and dynamics is the core issue in chemical ... functional theory (DFT) calculations, molecular dynamics (MD) simulations, light- ... between water and protein oxygen atoms, the superionic conductors which ...

Partial scan artifact reduction (PSAR) for the assessment of cardiac perfusion in dynamic phase-correlated CT

Energy Technology Data Exchange (ETDEWEB)

Stenner, Philip; Schmidt, Bernhard; Bruder, Herbert; Allmendinger, Thomas; Haberland, Ulrike; Flohr, Thomas; Kachelriess, Marc [Institute of Medical Physics, Henkestrasse 91, 91052 Erlangen (Germany); Siemens AG, Healthcare Sector, Siemensstrasse 1, 91301 Forchheim (Germany); Institute of Medical Physics, Henkestrasse. 91, 91052 Erlangen (Germany)

2009-12-15

Purpose: Cardiac CT achieves its high temporal resolution by lowering the scan range from 2{pi} to {pi} plus fan angle (partial scan). This, however, introduces CT-value variations, depending on the angular position of the {pi} range. These partial scan artifacts are of the order of a few HU and prevent the quantitative evaluation of perfusion measurements. The authors present the new algorithm partial scan artifact reduction (PSAR) that corrects a dynamic phase-correlated scan without a priori information. Methods: In general, a full scan does not suffer from partial scan artifacts since all projections in [0, 2{pi}] contribute to the data. To maintain the optimum temporal resolution and the phase correlation, PSAR creates an artificial full scan p{sub n}{sup AF} by projectionwise averaging a set of neighboring partial scans p{sub n}{sup P} from the same perfusion examination (typically N{approx_equal}30 phase-correlated partial scans distributed over 20 s and n=1,...,N). Corresponding to the angular range of each partial scan, the authors extract virtual partial scans p{sub n}{sup V} from the artificial full scan p{sub n}{sup AF}. A standard reconstruction yields the corresponding images f{sub n}{sup P}, f{sub n}{sup AF}, and f{sub n}{sup V}. Subtracting the virtual partial scan image f{sub n}{sup V} from the artificial full scan image f{sub n}{sup AF} yields an artifact image that can be used to correct the original partial scan image: f{sub n}{sup C}=f{sub n}{sup P}-f{sub n}{sup V}+f{sub n}{sup AF}, where f{sub n}{sup C} is the corrected image. Results: The authors evaluated the effects of scattered radiation on the partial scan artifacts using simulated and measured water phantoms and found a strong correlation. The PSAR algorithm has been validated with a simulated semianthropomorphic heart phantom and with measurements of a dynamic biological perfusion phantom. For the stationary phantoms, real full scans have been performed to provide theoretical reference

Distributed Dynamic Condition Response Structures

DEFF Research Database (Denmark)

Hildebrandt, Thomas; Mukkamala, Raghava Rao

We present distributed dynamic condition response structures as a declarative process model inspired by the workflow language employed by our industrial partner and conservatively generalizing labelled event structures. The model adds to event structures the possibility to 1) finitely specify...... as a labelled transition system. Exploration of the relationship between dynamic condition response structures and traditional models for concurrency, application to more complex scenarios, and further extensions of the model is left to future work....

The effect of various quantum mechanically derived partial atomic charges on the bulk properties of chloride-based ionic liquids

Energy Technology Data Exchange (ETDEWEB)

Zolghadr, Amin Reza, E-mail: arzolghadr@shirazu.ac.ir [Department of Chemistry, Shiraz University, Shiraz 71946-84795 (Iran, Islamic Republic of); Ghatee, Mohammad Hadi [Department of Chemistry, Shiraz University, Shiraz 71946-84795 (Iran, Islamic Republic of); Moosavi, Fatemeh [Department of Chemistry, Ferdowsi University of Mashhad, Mashhad 91779 (Iran, Islamic Republic of)

2016-08-22

Partial atomic charges using various quantum mechanical calculations for [C{sub n}mim]Cl (n = 1, 4) ionic liquids (ILs) are obtained and used for development of molecular dynamics simulation (MD) force fields. The isolated ion pairs are optimized using HF, B3LYP, and MP2 methods for electronic structure with 6-311++G(d,p) basis set. Partial atomic charges are assigned to the atomic center with CHELPG and NBO methods. The effect of these sets of partial charges on the static and dynamic properties of ILs is evaluated by performing a series of MD simulations and comparing the essential thermodynamic properties with the available experimental data and available molecular dynamics simulation results. In contrast to the general trends reported for ionic liquids with BF{sub 4}, PF{sub 6}, and iodide anions (in which restrained electrostatic potential (RESP) charges are preferred), partial charges derived by B3LYP-NBO method are relatively good in prediction of the structural, dynamical, and thermodynamic energetic properties of the chloride based ILs.

Dynamic stability of a cantilevered Timoshenko beam on partial elastic foundations subjected to a follower force

International Nuclear Information System (INIS)

Ryu, Bong Jo; Shin, Kwang Bok; Yim, Kyung Bin; Yoon, Young Sik

2006-01-01

This paper presents the dynamic stability of a cantilevered Timoshenko beam with a concentrated mass, partially attached to elastic foundations, and subjected to a follower force. Governing equations are derived from the extended Hamilton's principle, and FEM is applied to solve the discretized equation. The influence of some parameters such as the elastic foundation parameter, the positions of partial elastic foundations, shear deformations, the rotary inertia of the beam, and the mass and the rotary inertia of the concentrated mass on the critical flutter load is investigated. Finally, the optimal attachment ratio of partial elastic foundation that maximizes the critical flutter load is presented

Decoding Structural Properties of a Partially Unfolded Protein Substrate: En Route to Chaperone Binding

Science.gov (United States)

Nagpal, Suhani; Tiwari, Satyam; Mapa, Koyeli; Thukral, Lipi

2015-01-01

Many proteins comprising of complex topologies require molecular chaperones to achieve their unique three-dimensional folded structure. The E.coli chaperone, GroEL binds with a large number of unfolded and partially folded proteins, to facilitate proper folding and prevent misfolding and aggregation. Although the major structural components of GroEL are well defined, scaffolds of the non-native substrates that determine chaperone-mediated folding have been difficult to recognize. Here we performed all-atomistic and replica-exchange molecular dynamics simulations to dissect non-native ensemble of an obligate GroEL folder, DapA. Thermodynamics analyses of unfolding simulations revealed populated intermediates with distinct structural characteristics. We found that surface exposed hydrophobic patches are significantly increased, primarily contributed from native and non-native β-sheet elements. We validate the structural properties of these conformers using experimental data, including circular dichroism (CD), 1-anilinonaphthalene-8-sulfonic acid (ANS) binding measurements and previously reported hydrogen-deutrium exchange coupled to mass spectrometry (HDX-MS). Further, we constructed network graphs to elucidate long-range intra-protein connectivity of native and intermediate topologies, demonstrating regions that serve as central “hubs”. Overall, our results implicate that genomic variations (or mutations) in the distinct regions of protein structures might disrupt these topological signatures disabling chaperone-mediated folding, leading to formation of aggregates. PMID:26394388

Partially quenched lattice QCD with two degenerate dynamical light Wilson quarks

International Nuclear Information System (INIS)

De, Asit K.; Harindranath, A.; Maiti, Jyotirmoy

2006-01-01

We present our results of numerical studies of partially quenched latticed QCD with two degenerate flavors of dynamical quarks. Gauge configurations are generated with Wilson gauge action and tadpole improved Wilson fermions at β = 5.6 and K sea = 0.155, 0.156, 0.157 and 0.158. Suitably smeared gauge configurations are used to calculate the static interquark potential in order to set the physical scale. Mesonic propagators are calculated at above mentioned four different values of K val for each K sea . We present results for pion and rho masses. (author)

Gradient-based optimization in nonlinear structural dynamics

DEFF Research Database (Denmark)

Dou, Suguang

The intrinsic nonlinearity of mechanical structures can give rise to rich nonlinear dynamics. Recently, nonlinear dynamics of micro-mechanical structures have contributed to developing new Micro-Electro-Mechanical Systems (MEMS), for example, atomic force microscope, passive frequency divider......, frequency stabilization, and disk resonator gyroscope. For advanced design of these structures, it is of considerable value to extend current optimization in linear structural dynamics into nonlinear structural dynamics. In this thesis, we present a framework for modelling, analysis, characterization......, and optimization of nonlinear structural dynamics. In the modelling, nonlinear finite elements are used. In the analysis, nonlinear frequency response and nonlinear normal modes are calculated based on a harmonic balance method with higher-order harmonics. In the characterization, nonlinear modal coupling...

Dynamic analysis program for frame structure

International Nuclear Information System (INIS)

Ando, Kozo; Chiba, Toshio

1975-01-01

A general purpose computer program named ISTRAN/FD (Isub(HI) STRucture ANalysis/Frame structure, Dynamic analysis) has been developed for dynamic analysis of three-dimensional frame structures. This program has functions of free vibration analysis, seismic response analysis, graphic display by plotter and CRT, etc. This paper introduces ISTRAN/FD; examples of its application are shown with various problems : idealization of the cantilever, dynamic analysis of the main tower of the suspension bridge, three-dimensional vibration in the plate girder bridge, seismic response in the boiler steel structure, and dynamic properties of the underground LNG tank. In this last example, solid elements, in addition to beam elements, are especially used for the analysis. (auth.)

Collective dynamics in dense fluid mixtures

International Nuclear Information System (INIS)

Sinha, S.

1992-01-01

This thesis deals with the short wavelength collective dynamics of dense binary fluid mixtures. The analysis shows that at the level of linearized generalized hydrodynamics, the longitudinal modes of the system separates essentially into two parts - one involves the coupling of partial density fluctuations of the two species and the other involves coupling of longitudinal momentum and temperature fluctuations. The authors have shown that the coupling of longitudinal momentum and temperature fluctuations leads to an adequate description of sound propagation in such systems. In particular, they show that structural disorder controls the trapping of sound waves in dense mixtures. The coupling of the partial density fluctuations of the two species leads to a simple description of the partial dynamic structure factors. The results are in agreement with the molecular dynamics simulations of soft sphere mixtures. The partial density fluctuations are the slowest decaying fluctuations on molecular length scales and it turns out that nonlinear coupling of these slow modes leads to important corrections to the long time behavior of the time correlation functions determining the shear viscosity in dense mixtures

The structure of molecular liquids. Neutron diffraction and molecular dynamics simulations

International Nuclear Information System (INIS)

Bianchi, L.

2000-05-01

Neutron diffraction (ND) measurements on liquid methanol (CD 3 OD, CD 3 O(H/D), CD 3 OH) under ambient conditions were performed to obtain the distinct (intra- + inter-molecular), G dist (r) and inter-molecular, G inter (r) radial distribution functions (rdfs) for the three samples. The H/D substitution on hydroxyl-hydrogen (Ho) has been used to extract the partial distribution functions, G XHo (r) (X=C, O, and H - a methyl hydrogen) and G XX (r) at both the distinct and inter-molecular levels from the difference techniques of ND. The O-Ho bond length, which has been the subject of controversy in the past, is found purely from the distinct partial distribution function, G XHo (r) to be 0.98 ± 0.01 A. The C-H distance obtained from the distinct G XX (r) partial is 1.08 ± 0.01 A. These distances determined by fitting an intra-molecular model to the total distinct structure functions are 0.961 ± 0.001 A and 1.096 ± 0.001 A, respectively. The inter-molecular G XX (r) function, dominated by contributions from the methyl groups, apart from showing broad oscillations extending up to ∼14 A is featureless, mainly because of cancellation effects from six contributing pairs. The Ho-Ho partial pair distribution function (pdf), g HoHo (r), determined from the second order difference, shows that only one other Ho atom can be found within a mean Ho-Ho separation of 2.36 A. The average position of the O-Ho hydrogen bond determined for the first time purely from experimental inter-molecular G XHo (r) partial distribution function is found to be at 1.75 ± 0.03 A. The experimental structural results at the partial distribution level are compared with those obtained from molecular dynamics (MD) simulations performed in NVE ensemble by using both 3- and 6-site force field models for the first time in this study. The MD simulations with both the models reproduce the ND rdfs rather well. However, discrepancies begin to appear between the simulated and the experimental partial

Structural relaxation of polydisperse hard spheres: comparison of the mode-coupling theory to a Langevin dynamics simulation.

Science.gov (United States)

Weysser, F; Puertas, A M; Fuchs, M; Voigtmann, Th

2010-07-01

We analyze the slow glassy structural relaxation as measured through collective and tagged-particle density correlation functions obtained from Brownian dynamics simulations for a polydisperse system of quasi-hard spheres in the framework of the mode-coupling theory (MCT) of the glass transition. Asymptotic analyses show good agreement for the collective dynamics when polydispersity effects are taken into account in a multicomponent calculation, but qualitative disagreement at small q when the system is treated as effectively monodisperse. The origin of the different small-q behavior is attributed to the interplay between interdiffusion processes and structural relaxation. Numerical solutions of the MCT equations are obtained taking properly binned partial static structure factors from the simulations as input. Accounting for a shift in the critical density, the collective density correlation functions are well described by the theory at all densities investigated in the simulations, with quantitative agreement best around the maxima of the static structure factor and worst around its minima. A parameter-free comparison of the tagged-particle dynamics however reveals large quantitative errors for small wave numbers that are connected to the well-known decoupling of self-diffusion from structural relaxation and to dynamical heterogeneities. While deviations from MCT behavior are clearly seen in the tagged-particle quantities for densities close to and on the liquid side of the MCT glass transition, no such deviations are seen in the collective dynamics.

Local vibrational dynamics of hematite (α-Fe{sub 2}O{sub 3}) studied by extended x-ray absorption fine structure and molecular dynamics

Energy Technology Data Exchange (ETDEWEB)

Sanson, A., E-mail: andrea.sanson@unipd.it [Dipartimento di Fisica e Astronomia - Università di Padova, Padova (Italy); Mathon, O.; Pascarelli, S. [ESRF - European Synchrotron Radiation Facility, Grenoble (France)

2014-06-14

The local vibrational dynamics of hematite (α-Fe{sub 2}O{sub 3}) has been investigated by temperature-dependent extended x-ray absorption fine structure spectroscopy and molecular dynamics simulations. The local dynamics of both the short and long nearest-neighbor Fe–O distances has been singled out, i.e., their local thermal expansion and the parallel and perpendicular mean-square relative atomic displacements have been determined, obtaining a partial agreement with molecular dynamics. No evidence of the Morin transition has been observed. More importantly, the strong anisotropy of relative thermal vibrations found for the short Fe–O distance has been related to its negative thermal expansion. The differences between the local dynamics of short and long Fe–O distances are discussed in terms of projection and correlation of atomic motion. As a result, we can conclude that the short Fe–O bond is stiffer to stretching and softer to bending than the long Fe–O bond.

Fundamental partial compositeness

International Nuclear Information System (INIS)

Sannino, Francesco; Strumia, Alessandro; Tesi, Andrea; Vigiani, Elena

2016-01-01

We construct renormalizable Standard Model extensions, valid up to the Planck scale, that give a composite Higgs from a new fundamental strong force acting on fermions and scalars. Yukawa interactions of these particles with Standard Model fermions realize the partial compositeness scenario. Under certain assumptions on the dynamics of the scalars, successful models exist because gauge quantum numbers of Standard Model fermions admit a minimal enough ‘square root’. Furthermore, right-handed SM fermions have an SU(2)_R-like structure, yielding a custodially-protected composite Higgs. Baryon and lepton numbers arise accidentally. Standard Model fermions acquire mass at tree level, while the Higgs potential and flavor violations are generated by quantum corrections. We further discuss accidental symmetries and other dynamical features stemming from the new strongly interacting scalars. If the same phenomenology can be obtained from models without our elementary scalars, they would reappear as composite states.

Software-Controlled Dynamically Swappable Hardware Design in Partially Reconfigurable Systems

Directory of Open Access Journals (Sweden)

Huang Chun-Hsian

2008-01-01

Full Text Available Abstract We propose two basic wrapper designs and an enhanced wrapper design for arbitrary digital hardware circuit designs such that they can be enhanced with the capability for dynamic swapping controlled by software. A hardware design with either of the proposed wrappers can thus be swapped out of the partially reconfigurable logic at runtime in some intermediate state of computation and then swapped in when required to continue from that state. The context data is saved to a buffer in the wrapper at interruptible states, and then the wrapper takes care of saving the hardware context to communication memory through a peripheral bus, and later restoring the hardware context after the design is swapped in. The overheads of the hardware standardization and the wrapper in terms of additional reconfigurable logic resources and the time for context switching are small and generally acceptable. With the capability for dynamic swapping, high priority hardware tasks can interrupt low-priority tasks in real-time embedded systems so that the utilization of hardware space per unit time is increased.

Structural Dynamic Behavior of Wind Turbines

Science.gov (United States)

Thresher, Robert W.; Mirandy, Louis P.; Carne, Thomas G.; Lobitz, Donald W.; James, George H. III

2009-01-01

The structural dynamicist s areas of responsibility require interaction with most other members of the wind turbine project team. These responsibilities are to predict structural loads and deflections that will occur over the lifetime of the machine, ensure favorable dynamic responses through appropriate design and operational procedures, evaluate potential design improvements for their impact on dynamic loads and stability, and correlate load and control test data with design predictions. Load prediction has been a major concern in wind turbine designs to date, and it is perhaps the single most important task faced by the structural dynamics engineer. However, even if we were able to predict all loads perfectly, this in itself would not lead to an economic system. Reduction of dynamic loads, not merely a "design to loads" policy, is required to achieve a cost-effective design. The two processes of load prediction and structural design are highly interactive: loads and deflections must be known before designers and stress analysts can perform structural sizing, which in turn influences the loads through changes in stiffness and mass. Structural design identifies "hot spots" (local areas of high stress) that would benefit most from dynamic load alleviation. Convergence of this cycle leads to a turbine structure that is neither under-designed (which may result in structural failure), nor over-designed (which will lead to excessive weight and cost).

Water Evaporation and Conformational Changes from Partially Solvated Ubiquitin

Directory of Open Access Journals (Sweden)

Saravana Prakash Thirumuruganandham

2010-01-01

Full Text Available Using molecular dynamics simulation, we study the evaporation of water molecules off partially solvated ubiquitin. The evaporation and cooling rates are determined for a molecule at the initial temperature of 300 K. The cooling rate is found to be around 3 K/ns, and decreases with water temperature in the course of the evaporation. The conformation changes are monitored by studying a variety of intermediate partially solvated ubiquitin structures. We find that ubiquitin shrinks with decreasing hydration shell and exposes more of its hydrophilic surface area to the surrounding.

Bayesian comparison of protein structures using partial Procrustes distance.

Science.gov (United States)

Ejlali, Nasim; Faghihi, Mohammad Reza; Sadeghi, Mehdi

2017-09-26

An important topic in bioinformatics is the protein structure alignment. Some statistical methods have been proposed for this problem, but most of them align two protein structures based on the global geometric information without considering the effect of neighbourhood in the structures. In this paper, we provide a Bayesian model to align protein structures, by considering the effect of both local and global geometric information of protein structures. Local geometric information is incorporated to the model through the partial Procrustes distance of small substructures. These substructures are composed of β-carbon atoms from the side chains. Parameters are estimated using a Markov chain Monte Carlo (MCMC) approach. We evaluate the performance of our model through some simulation studies. Furthermore, we apply our model to a real dataset and assess the accuracy and convergence rate. Results show that our model is much more efficient than previous approaches.

Dynamic Data Structures

DEFF Research Database (Denmark)

Kejlberg-Rasmussen, Casper

statements about our data structure, which are based on the structure of the underlying problem, that we are trying to solve. We can rely on the properties of the invariants when performing queries, and in return we need to ensure that the invariants remain true after we perform updates. When designing data......In this thesis I will address three dynamic data structure problems using the concept of invariants. The first problem is maintaining a dynamically changing set of keys – a dictionary – where the queries we can ask are: does it contain a given key? and what is the preceding (or succeeding) key...... to a given key? The updates we can do are: inserting a new key or deleting a given key. Our dictionary has the working set property, which means that the running time of a query depends on the query distribution. Specifically the time to search for a key depends on when we last searched for it. Our data...

Dynamic testing of cable structures

Directory of Open Access Journals (Sweden)

Caetano Elsa

2015-01-01

Full Text Available The paper discusses the role of dynamic testing in the study of cable structures. In this context, the identification of cable force based on vibration measurements is discussed. Vibration and damping assessment are then introduced as the focus of dynamic monitoring systems, and particular aspects of the structural behaviour under environmental loads are analysed. Diverse application results are presented to support the discussion centred on cable-stayed bridges, roof structures, a guyed mast and a transmission line.

Structural relaxation in the dynamics of glycerol: a joint visible, UV and x-ray inelastic scattering study

International Nuclear Information System (INIS)

Giugni, A; Cunsolo, A

2006-01-01

We describe an experimental study of the dynamic structure factor of liquid glycerol performed by complementary inelastic techniques such as Brillouin visible, ultraviolet and x-ray scattering. The spectra have been collected as a function of both temperature and momentum transfer. The relevant hypersonic parameters are evaluated from the spectral lineshape analysis modelling the data with a simple hydrodynamic profile. The study of their frequency dependence allows us to observe the occurrence of an active structural relaxation and to measure the related timescale. We also find signatures of further relaxation processes occurring below the accessible frequency window. As a result, the dynamic window traditionally probed in spectroscopic experiments is greatly extended and partially bridges the gap between MHz and THz techniques

Stochastic partial differential fluid equations as a diffusive limit of deterministic Lagrangian multi-time dynamics.

Science.gov (United States)

Cotter, C J; Gottwald, G A; Holm, D D

2017-09-01

In Holm (Holm 2015 Proc. R. Soc. A 471 , 20140963. (doi:10.1098/rspa.2014.0963)), stochastic fluid equations were derived by employing a variational principle with an assumed stochastic Lagrangian particle dynamics. Here we show that the same stochastic Lagrangian dynamics naturally arises in a multi-scale decomposition of the deterministic Lagrangian flow map into a slow large-scale mean and a rapidly fluctuating small-scale map. We employ homogenization theory to derive effective slow stochastic particle dynamics for the resolved mean part, thereby obtaining stochastic fluid partial equations in the Eulerian formulation. To justify the application of rigorous homogenization theory, we assume mildly chaotic fast small-scale dynamics, as well as a centring condition. The latter requires that the mean of the fluctuating deviations is small, when pulled back to the mean flow.

30th IMAC, A Conference on Structural Dynamics

CERN Document Server

Catbas, FN; Mayes, R; Rixen, D; Griffith, DT; Allemang, R; Clerck, J; Klerk, D; Simmermacher, T; Cogan, S; Chauhan, S; Cunha, A; Racic, V; Reynolds, P; Salyards, K; Adams, D; Kerschen, G; Carrella, A; Voormeeren, SN; Allen, MS; Horta, LG; Barthorpe, R; Niezrecki, C; Blough, JR; Vol.1 Topics on the Dynamics of Civil Structures; Vol.2 Topics in Experimental Dynamics Substructuring and Wind Turbine Dynamics; Vol.3 Topics in Nonlinear Dynamics; Vol.4 Topics in Model Validation and Uncertainty Quantification; Vol.5 Topics in Modal Analysis I; Vol.6 Topics in Modal Analysis II

2012-01-01

Topics on the Dynamics of Civil Structures, Volume 1, Proceedings of the 30th IMAC, A Conference and Exposition on Structural Dynamics, 2012, the first volume of six from the Conference, brings together 45 contributions to this important area of research and engineering. The collection presents early findings and case studies on fundamental and applied aspects of Structural Dynamics, including papers on: Human Induced Vibrations Bridge Dynamics Operational Modal Analysis Experimental Techniques and Modeling for Civil Structures System Identification for Civil Structures Method and Technologies for Bridge Monitoring Damage Detection for Civil Structures Structural Modeling Vibration Control Method and Approaches for Civil Structures Modal Testing of Civil Structures.

Dynamic analysis and design of offshore structures

CERN Document Server

Chandrasekaran, Srinivasan

2015-01-01

This book  attempts to provide readers with an overall idea of various types of offshore platform geometries. It covers the various environmental loads encountered by these structures, a detailed description of the fundamentals of structural dynamics in a class-room style, estimate of damping in offshore structures and their applications in the preliminary analysis and design. Basic concepts of structural dynamics are emphasized through simple illustrative examples and exercises. Design methodologies and guidelines, which are FORM based concepts are explained through a few applied example structures. Each chapter also has tutorials and exercises for self-learning. A dedicated chapter on stochastic dynamics will help the students to extend the basic concepts of structural dynamics to this advanced domain of research. Hydrodynamic response of offshore structures with perforated members is one of the recent research applications, which is found to be one of the effective manner of retrofitting offshore structur...

Partial safety factors for berthing velocity and loads on marine structures

NARCIS (Netherlands)

Roubos, A.A.; Peters, D.J.; Groenewegen, Leon; Steenbergen, R.

2018-01-01

Design methods for marine structures have evolved into load and resistance factor design, however existing partial safety factors related to berthing velocity and loads have not been verified and validated by measurement campaigns. In this study, field observations of modern seagoing vessels

Relating structure and dynamics in organisation models

NARCIS (Netherlands)

Jonkers, C.M.; Treur, J.

2002-01-01

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

Relating structure and dynamics in organisation models

NARCIS (Netherlands)

Jonker, C.M.; Treur, J.

2003-01-01

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

The Artificial Hamiltonian, First Integrals, and Closed-Form Solutions of Dynamical Systems for Epidemics

Science.gov (United States)

Naz, Rehana; Naeem, Imran

2018-03-01

The non-standard Hamiltonian system, also referred to as a partial Hamiltonian system in the literature, of the form {\\dot q^i} = {partial H}/{partial {p_i}},\\dot p^i = - {partial H}/{partial {q_i}} + {Γ ^i}(t,{q^i},{p_i}) appears widely in economics, physics, mechanics, and other fields. The non-standard (partial) Hamiltonian systems arise from physical Hamiltonian structures as well as from artificial Hamiltonian structures. We introduce the term `artificial Hamiltonian' for the Hamiltonian of a model having no physical structure. We provide here explicitly the notion of an artificial Hamiltonian for dynamical systems of ordinary differential equations (ODEs). Also, we show that every system of second-order ODEs can be expressed as a non-standard (partial) Hamiltonian system of first-order ODEs by introducing an artificial Hamiltonian. This notion of an artificial Hamiltonian gives a new way to solve dynamical systems of first-order ODEs and systems of second-order ODEs that can be expressed as a non-standard (partial) Hamiltonian system by using the known techniques applicable to the non-standard Hamiltonian systems. We employ the proposed notion to solve dynamical systems of first-order ODEs arising in epidemics.

Reliability Analysis and Calibration of Partial Safety Factors for Redundant Structures

DEFF Research Database (Denmark)

Sørensen, John Dalsgaard

1998-01-01

Redundancy is important to include in the design and analysis of structural systems. In most codes of practice redundancy is not directly taken into account. In the paper various definitions of a deterministic and reliability based redundancy measure are reviewed. It is described how reundancy can...... be included in the safety system and how partial safety factors can be calibrated. An example is presented illustrating how redundancy is taken into account in the safety system in e.g. the Danish codes. The example shows how partial safety factors can be calibrated to comply with the safety level...

Evaluation of total and partial structure factors, self-diffusion coefficients, and compressibilities of the cadmium-gallium melt

International Nuclear Information System (INIS)

Gopala Rao, R.V.; Das, R.

1988-01-01

The three partial structure factors S/sub 11/(K), S/sub 22/(K), and S/sub 12/(K) defined by Ashcroft and Langreth are computed with a square-well potential as a perturbation over a hard-sphere potential for different atomic fractions or concentrations of cadmium for Cd-Ga melt at 296 0 C. Also, the number-number, concentration-concentration, and the cross-term number-concentration structure factors due to Bhatia-Thornton have been calculated for the seven concentrations of Cd-Ga melt at that temperature. From these partial structure factors total structure factors are computed and are compared with the experimental results. The total structure factors so computed are found to be in excellent agreement with the measured values except in the long-wavelength limit of S(0). Using the partial structure factors in the long-wavelength limit the isothermal compressibilities have been calculated. From these partial structure factors and by using the linear-trajectory approximation of Helfand, the self-diffusion coefficients D/sub i/'s have also been calculated for various atomic fractions of Cd for Cd-Ga alloy at 296 0 C. From these D/sub i/'s, an estimate of the mutual diffusion coefficients has been made to a good approximation

Early structure of LPG partially premixed conically stabilized flames

KAUST Repository

Elbaz, Ayman M.

2013-01-01

This paper presents experimental investigation of LPG partially premixed turbulent flames stabilized within a conical nozzle burner under constant degree of partial premixing. The stability limits and mean flame structure are presented based on the mean gas temperature and the concentration of CO, O 2, NO, and HC at the flame early region of reaction. The investigation covered the influence of the nozzle cone angle, the jet exit velocity and the jet equivalence ratio. The stability results show that the flames with cone are more stable than those without cone. For conical stabilized flames, the stability results exhibit three different sensitivity regions between the jet velocity and equivalence ratio. The inflame measurements prove that the flame stability could be attributed to the triple flame structure at the flame leading edge. The data show that the triple flame structure is influenced by cone angle, the jet velocity and the equivalence ratio. The flame is believed to be controlled by the recirculation flow inside the cone. Increasing the cone angle induced higher air entrainment to the reaction zone as depicted by a higher O 2 concentration within the flame leading edge. Increasing the jet velocity to a certain limit enhances the intensity of combustion at the flame leading edge, while excessive increase in jet velocity reduces this intensity. At a fixed jet velocity the higher the equivalence ratio, the higher the amount of fuel diffused and engulfed to the reaction zone, the more delay of the combustion completion and the higher the emission concentrations of the flame. © 2012 Elsevier Inc.

Analyses of Non-bonding Length, Partial Atomics Charge and Electrostatic Energy from Molecular Dynamics Simulation of Phospholipase A2 – Substrate

Directory of Open Access Journals (Sweden)

Nirwan Syarif

2016-11-01

Full Text Available This paper reports molecular dynamics simulation of phospholipase A2 (PLA2– substrate that has been done. Non-bonding length, partial atomic charge and electrostatic energy were used to evaluation the interaction between PLA2 and substrate. The research was subjected for three types of PLA2 of different sources, i.e, homo sapien, bovinus and porcinus, by using computer files of their molecular structures. The files with code 3elo, 1bp2, dan 1y6o were downloaded from protein data bank. Substrate structure can be found in 1y60 and was separated from its enzyme structure and docked into two other PLA2 structures for simulation purpose. Molecular dynamics simulations were done for 30000 steps with constant in number of molecules, volume and temperature (NVT. The results showed the existing of flip-flop mechanism as basic feature of PLA2 – substrate reactions. Interaction length analysis results indicated the presence of water molecules on the structures of 1bp2 and 3elo at the time of the simulation was completed. The existence of aspagine at the reaction site confirmed the theory that this amino acid is responsible for the survival of the reaction. the electrostatic energy increased substantially in the interaction after homo sapien PLA2 (3elo and Bovinus (1bp2 with the substrate. Inverse effect took place in the PLA porcinus (1y6o.

Atomic structure of screw dislocations intersecting the Au(111) surface: A combined scanning tunneling microscopy and molecular dynamics study

DEFF Research Database (Denmark)

Engbæk, Jakob; Schiøtz, Jakob; Dahl-Madsen, Bjarke

2006-01-01

The atomic-scale structure of naturally occurring screw dislocations intersecting a Au(111) surface has been investigated both experimentally by scanning tunneling microscopy (STM) and theoretically using molecular dynamics (MD) simulations. The step profiles of 166 dislocations were measured using...... STM. Many of them exhibit noninteger step-height plateaus with different widths. Clear evidence was found for the existence of two different populations at the surface with distinct (narrowed or widened) partial-splitting widths. All findings are fully confirmed by the MD simulations. The MD...... simulations extend the STM-, i.e., surface-, investigation to the subsurface region. Due to this additional insight, we can explain the different partial-splitting widths as the result of the interaction between the partial dislocations and the surface....

Structural behavior and dynamics of an anomalous fluid between attractive and repulsive walls: templating, molding, and superdiffusion.

Science.gov (United States)

Leoni, Fabio; Franzese, Giancarlo

2014-11-07

Confinement can modify the dynamics, the thermodynamics, and the structural properties of liquid water, the prototypical anomalous liquid. By considering a generic model for anomalous liquids, suitable for describing solutions of globular proteins, colloids, or liquid metals, we study by molecular dynamics simulations the effect that an attractive wall with structure and a repulsive wall without structure have on the phases, the crystal nucleation, and the dynamics of the fluid. We find that at low temperatures the large density of the attractive wall induces a high-density, high-energy structure in the first layer ("templating" effect). In turn, the first layer induces a "molding" effect on the second layer determining a structure with reduced energy and density, closer to the average density of the system. This low-density, low-energy structure propagates further through the layers by templating effect and can involve all the existing layers at the lowest temperatures investigated. Therefore, although the high-density, high-energy structure does not self-reproduce further than the first layer, the structured wall can have a long-range influence thanks to a sequence of templating, molding, and templating effects through the layers. We find that the walls also have an influence on the dynamics of the liquid, with a stronger effect near the attractive wall. In particular, we observe that the dynamics is largely heterogeneous (i) among the layers, as a consequence of the sequence of structures caused by the walls presence, and (ii) within the same layer, due to superdiffusive liquid veins within a frozen matrix of particles near the walls at low temperature and high density. Hence, the partial freezing of the first layer does not correspond necessarily to an effective reduction of the channel's section in terms of transport properties, as suggested by other authors.

Partial IGF-1 deficiency is sufficient to reduce heart contractibility, angiotensin II sensibility, and alter gene expression of structural and functional cardiac proteins.

Science.gov (United States)

González-Guerra, José Luis; Castilla-Cortazar, Inma; Aguirre, Gabriel A; Muñoz, Úrsula; Martín-Estal, Irene; Ávila-Gallego, Elena; Granado, Miriam; Puche, Juan E; García-Villalón, Ángel Luis

2017-01-01

Circulating levels of IGF-1 may decrease under several circumstances like ageing, metabolic syndrome, and advanced cirrhosis. This reduction is associated with insulin resistance, dyslipidemia, progression to type 2 diabetes, and increased risk for cardiovascular diseases. However, underlying mechanisms between IGF-1 deficiency and cardiovascular disease remain elusive. The specific aim of the present work was to study whether the partial IGF-1 deficiency influences heart and/or coronary circulation, comparing vasoactive factors before and after of ischemia-reperfusion (I/R). In addition, histology of the heart was performed together with cardiac gene expression for proteins involved in structure and function (extracellular matrix, contractile proteins, active peptides); carried out using microarrays, followed by RT-qPCR confirmation of the three experimental groups. IGF-1 partial deficiency is associated to a reduction in contractility and angiotensin II sensitivity, interstitial fibrosis as well as altered expression pattern of genes involved in extracellular matrix proteins, calcium dynamics, and cardiac structure and function. Although this work is descriptive, it provides a clear insight of the impact that partial IGF-1 deficiency on the heart and establishes this experimental model as suitable for studying cardiac disease mechanisms and exploring therapeutic options for patients under IGF-1 deficiency conditions.

Partial IGF-1 deficiency is sufficient to reduce heart contractibility, angiotensin II sensibility, and alter gene expression of structural and functional cardiac proteins.

Directory of Open Access Journals (Sweden)

José Luis González-Guerra

Full Text Available Circulating levels of IGF-1 may decrease under several circumstances like ageing, metabolic syndrome, and advanced cirrhosis. This reduction is associated with insulin resistance, dyslipidemia, progression to type 2 diabetes, and increased risk for cardiovascular diseases. However, underlying mechanisms between IGF-1 deficiency and cardiovascular disease remain elusive. The specific aim of the present work was to study whether the partial IGF-1 deficiency influences heart and/or coronary circulation, comparing vasoactive factors before and after of ischemia-reperfusion (I/R. In addition, histology of the heart was performed together with cardiac gene expression for proteins involved in structure and function (extracellular matrix, contractile proteins, active peptides; carried out using microarrays, followed by RT-qPCR confirmation of the three experimental groups. IGF-1 partial deficiency is associated to a reduction in contractility and angiotensin II sensitivity, interstitial fibrosis as well as altered expression pattern of genes involved in extracellular matrix proteins, calcium dynamics, and cardiac structure and function. Although this work is descriptive, it provides a clear insight of the impact that partial IGF-1 deficiency on the heart and establishes this experimental model as suitable for studying cardiac disease mechanisms and exploring therapeutic options for patients under IGF-1 deficiency conditions.

Dynamic term structure models

DEFF Research Database (Denmark)

Andreasen, Martin Møller; Meldrum, Andrew

This paper studies whether dynamic term structure models for US nominal bond yields should enforce the zero lower bound by a quadratic policy rate or a shadow rate specification. We address the question by estimating quadratic term structure models (QTSMs) and shadow rate models with at most four...

Dynamics and acceleration in linear structures

International Nuclear Information System (INIS)

Le Duff, J.

1985-06-01

Basic methods of linear acceleration are reviewed. Both cases of non relativistic and ultra relativistic particles are considered. Induction linac, radiofrequency quadrupole are mentioned. Fundamental parameters of accelerating structures are recalled; they are transit time factor, shunt impedance, quality factor and stored energy, phase velocity and group velocity, filling time, space harmonics in loaded waveguides. Energy gain in linear accelerating structures is considered through standing wave structures and travelling wave structures. Then particle dynamics in linear accelerators is studied: longitudinal motion, transverse motion and dynamics in RFQ

Modelling and investigation of partial wetting surfaces for drop dynamics using lattice Boltzmann method

Science.gov (United States)

Pravinraj, T.; Patrikar, Rajendra

2017-07-01

Partial wetting surfaces and its influence on the droplet movement of micro and nano scale being contemplated for many useful applications. The dynamics of the droplet usually analyzed with a multiphase lattice Boltzmann method (LBM). In this paper, the influence of partial wetting surface on the dynamics of droplet is systematically analyzed for various cases. Splitting of droplets due to chemical gradient of the surface is studied and analyses of splitting time for various widths of the strips for different Weber numbers are computed. With the proposed model one can tune the splitting volume and time by carefully choosing a strip width and droplet position. The droplet spreading on chemically heterogeneous surfaces shows that the spreading can be controlled not only by parameters of Weber number but also by tuning strip width ratio. The transportation of the droplet from hydrophobic surface to hydrophilic surface due to chemical gradient is simulated and analyzed using our hybrid thermodynamic-image processing technique. The results prove that with the progress of time the surface free energy decreases with increase in spreading area. Finally, the transportation of a droplet on microstructure gradient is demonstrated. The model explains the temporal behaviour of droplet during the spreading, recoiling and translation along with tracking of contact angle hysteresis phenomenon.

Molecular dynamics study of dislocation cores in copper: structure and diffusion at high temperatures

International Nuclear Information System (INIS)

Huang, Jin

1989-01-01

The variation of the core structure of an easy glide dislocation with temperature and its influence on the stacking fault energy (γ) have been investigated for the first time by molecular-dynamics simulation in copper. The calculations have been performed at various temperatures, using an ab-initio pseudo-potential. Our results show that the core of the Shockley partials, into which the perfect edge dislocation dissociates, becomes increasingly extended as temperature increases. However their separation remains constant. The calculated energy values of the infinite extension stacking fault and the ribbon fault between the partials are quite different, but the evolution of the core structure does not affect the temperature dependence of the latter. We have found that a high disorder appears in the core region when temperature increases due to important anharmonicity effects of the atomic vibrations. The core structure remains solid-like for T m (T m : melting point of bulk) in spite of the high disorder. Above T m , the liquid nucleus germinates in the core region, and then propagates into the bulk. In addition we studied the mobility of vacancies and interstitials trapped on the partials. Although fast diffusion is thought to occur exclusively in a pipe surrounding the dislocation core, in the present study a quasi two-dimensional diffusion is observed for both defects not only in the cores but also in the stacking fault ribbon. On the opposite of current assumptions, the activation energy for diffusion is found to be identical for both defects, which may therefore comparably contribute to mass transport along the dislocations. (author) [fr

Identifying partial topology of complex dynamical networks via a pinning mechanism

Science.gov (United States)

Zhu, Shuaibing; Zhou, Jin; Lu, Jun-an

2018-04-01

In this paper, we study the problem of identifying the partial topology of complex dynamical networks via a pinning mechanism. By using the network synchronization theory and the adaptive feedback controlling method, we propose a method which can greatly reduce the number of nodes and observers in the response network. Particularly, this method can also identify the whole topology of complex networks. A theorem is established rigorously, from which some corollaries are also derived in order to make our method more cost-effective. Several numerical examples are provided to verify the effectiveness of the proposed method. In the simulation, an approach is also given to avoid possible identification failure caused by inner synchronization of the drive network.

Field tests on partial embedment effects (embedment effect tests on soil-structure interaction)

International Nuclear Information System (INIS)

Kurimoto, O.; Tsunoda, T.; Inoue, T.; Izumi, M.; Kusakabe, K.; Akino, K.

1993-01-01

A series of Model Tests of Embedment Effect on Reactor Buildings has been carried out by the Nuclear Power Engineering Corporation (NUPEC), under the sponsorship of the Ministry of International Trade and lndustry (MITI) of Japan. The nuclear reactor buildings are partially embedded due to conditions for the construction or building arrangement in Japan. It is necessary to verify the partial embedment effects by experiments and analytical studies in order to incorporate the effects in the seismic design. Forced vibration tests, therefore, were performed using a model with several types of embedment. Correlated simulation analyses were also performed and the characteristics of partial embedment effects on soil-structure interaction were evaluated. (author)

Structure-preserving integrators in nonlinear structural dynamics and flexible multibody dynamics

CERN Document Server

2016-01-01

This book focuses on structure-preserving numerical methods for flexible multibody dynamics, including nonlinear elastodynamics and geometrically exact models for beams and shells. It also deals with the newly emerging class of variational integrators as well as Lie-group integrators. It discusses two alternative approaches to the discretization in space of nonlinear beams and shells. Firstly, geometrically exact formulations, which are typically used in the finite element community and, secondly, the absolute nodal coordinate formulation, which is popular in the multibody dynamics community. Concerning the discretization in time, the energy-momentum method and its energy-decaying variants are discussed. It also addresses a number of issues that have arisen in the wake of the structure-preserving discretization in space. Among them are the parameterization of finite rotations, the incorporation of algebraic constraints and the computer implementation of the various numerical methods. The practical application...

Structural Dynamics Laboratory (SDL)

Data.gov (United States)

Federal Laboratory Consortium — Structural dynamic testing is performed to verify the survivability of a component or assembly when exposed to vibration stress screening, or a controlled simulation...

A Nonlinear Dynamic Subscale Model for Partially Resolved Numerical Simulation (PRNS)/Very Large Eddy Simulation (VLES) of Internal Non-Reacting Flows

Science.gov (United States)

Shih, Tsan-Hsing; Liu, nan-Suey

2010-01-01

A brief introduction of the temporal filter based partially resolved numerical simulation/very large eddy simulation approach (PRNS/VLES) and its distinct features are presented. A nonlinear dynamic subscale model and its advantages over the linear subscale eddy viscosity model are described. In addition, a guideline for conducting a PRNS/VLES simulation is provided. Results are presented for three turbulent internal flows. The first one is the turbulent pipe flow at low and high Reynolds numbers to illustrate the basic features of PRNS/VLES; the second one is the swirling turbulent flow in a LM6000 single injector to further demonstrate the differences in the calculated flow fields resulting from the nonlinear model versus the pure eddy viscosity model; the third one is a more complex turbulent flow generated in a single-element lean direct injection (LDI) combustor, the calculated result has demonstrated that the current PRNS/VLES approach is capable of capturing the dynamically important, unsteady turbulent structures while using a relatively coarse grid.

Dynamic Relative Compression, Dynamic Partial Sums, and Substring Concatenation

DEFF Research Database (Denmark)

Bille, Philip; Christiansen, Anders Roy; Cording, Patrick Hagge

2017-01-01

-repetitive massive data sets such as genomes and web-data. We initiate the study of relative compression in a dynamic setting where the compressed source string S is subject to edit operations. The goal is to maintain the compressed representation compactly, while supporting edits and allowing efficient random...... access to the (uncompressed) source string. We present new data structures that achieve optimal time for updates and queries while using space linear in the size of the optimal relative compression, for nearly all combinations of parameters. We also present solutions for restricted and extended sets......Given a static reference string R and a source string S, a relative compression of S with respect to R is an encoding of S as a sequence of references to substrings of R. Relative compression schemes are a classic model of compression and have recently proved very successful for compressing highly...

Dynamic Relative Compression, Dynamic Partial Sums, and Substring Concatenation

DEFF Research Database (Denmark)

Bille, Philip; Cording, Patrick Hagge; Gørtz, Inge Li

2016-01-01

-repetitive massive data sets such as genomes and web-data. We initiate the study of relative compression in a dynamic setting where the compressed source string S is subject to edit operations. The goal is to maintain the compressed representation compactly, while supporting edits and allowing efficient random...... access to the (uncompressed) source string. We present new data structures that achieve optimal time for updates and queries while using space linear in the size of the optimal relative compression, for nearly all combinations of parameters. We also present solutions for restricted and extended sets......Given a static reference string R and a source string S, a relative compression of S with respect to R is an encoding of S as a sequence of references to substrings of R. Relative compression schemes are a classic model of compression and have recently proved very successful for compressing highly...

Highly accelerated cardiac cine parallel MRI using low-rank matrix completion and partial separability model

Science.gov (United States)

Lyu, Jingyuan; Nakarmi, Ukash; Zhang, Chaoyi; Ying, Leslie

2016-05-01

This paper presents a new approach to highly accelerated dynamic parallel MRI using low rank matrix completion, partial separability (PS) model. In data acquisition, k-space data is moderately randomly undersampled at the center kspace navigator locations, but highly undersampled at the outer k-space for each temporal frame. In reconstruction, the navigator data is reconstructed from undersampled data using structured low-rank matrix completion. After all the unacquired navigator data is estimated, the partial separable model is used to obtain partial k-t data. Then the parallel imaging method is used to acquire the entire dynamic image series from highly undersampled data. The proposed method has shown to achieve high quality reconstructions with reduction factors up to 31, and temporal resolution of 29ms, when the conventional PS method fails.

Uncertainty Quantification in Experimental Structural Dynamics Identification of Composite Material Structures

DEFF Research Database (Denmark)

Luczak, Marcin; Peeters, Bart; Kahsin, Maciej

2014-01-01

for uncertainty evaluation in experimentally estimated models. Investigated structures are plates, fuselage panels and helicopter main rotor blades as they represent different complexity levels ranging from coupon, through sub-component up to fully assembled structures made of composite materials. To evaluate......Aerospace and wind energy structures are extensively using components made of composite materials. Since these structures are subjected to dynamic environments with time-varying loading conditions, it is important to model their dynamic behavior and validate these models by means of vibration...

Component mode synthesis in structural dynamics

International Nuclear Information System (INIS)

Reddy, G.R.; Vaze, K.K.; Kushwaha, H.S.

1993-01-01

In seismic analysis of Nuclear Reactor Structures and equipments eigen solution requires large computer time. Component mode synthesis is an efficient technique with which one can evaluate dynamic characteristics of a large structure with minimum computer time. Due to this reason it is possible to do a coupled analysis of structure and equipment which takes into account the interaction effects. Basically in this the method large size structure is divided into small substructures and dynamic characteristics of individual substructure are determined. The dynamic characteristics of entire structure are evaluated by synthesising the individual substructure characteristics. Component mode synthesis has been applied in this paper to the analysis of a tall heavy water upgrading tower. Use of fixed interface normal modes, constrained modes, attachment modes in the component mode synthesis using energy principle and using Ritz vectors have been discussed. The validity of this method is established by solving fixed-fixed beam and comparing the results obtained by conventional and classical method. The eigen value problem has been solved using simultaneous iteration method. (author)

Network structure shapes spontaneous functional connectivity dynamics.

Science.gov (United States)

Shen, Kelly; Hutchison, R Matthew; Bezgin, Gleb; Everling, Stefan; McIntosh, Anthony R

2015-04-08

The structural organization of the brain constrains the range of interactions between different regions and shapes ongoing information processing. Therefore, it is expected that large-scale dynamic functional connectivity (FC) patterns, a surrogate measure of coordination between brain regions, will be closely tied to the fiber pathways that form the underlying structural network. Here, we empirically examined the influence of network structure on FC dynamics by comparing resting-state FC (rsFC) obtained using BOLD-fMRI in macaques (Macaca fascicularis) to structural connectivity derived from macaque axonal tract tracing studies. Consistent with predictions from simulation studies, the correspondence between rsFC and structural connectivity increased as the sample duration increased. Regions with reciprocal structural connections showed the most stable rsFC across time. The data suggest that the transient nature of FC is in part dependent on direct underlying structural connections, but also that dynamic coordination can occur via polysynaptic pathways. Temporal stability was found to be dependent on structural topology, with functional connections within the rich-club core exhibiting the greatest stability over time. We discuss these findings in light of highly variable functional hubs. The results further elucidate how large-scale dynamic functional coordination exists within a fixed structural architecture. Copyright © 2015 the authors 0270-6474/15/355579-10$15.00/0.

Plasma turbulence. Structure formation, selection rule, dynamic response and dynamics transport

International Nuclear Information System (INIS)

Ito, Sanae I.

2010-01-01

The five-year project of Grant-in-Aid for Specially Promoted Research entitled general research on the structure formation and selection rule in plasma turbulence had brought many outcomes. Based on these outcomes, the Grant-in-Aid for Scientific Research (S) program entitled general research on dynamic response and dynamic transport in plasma turbulence has started. In the present paper, the state-of-the-art of the research activities on the structure formation, selection rule and dynamics in plasma turbulence are reviewed with reference to outcomes of these projects. (author)

Multiscale structure in eco-evolutionary dynamics

Science.gov (United States)

Stacey, Blake C.

In a complex system, the individual components are neither so tightly coupled or correlated that they can all be treated as a single unit, nor so uncorrelated that they can be approximated as independent entities. Instead, patterns of interdependency lead to structure at multiple scales of organization. Evolution excels at producing such complex structures. In turn, the existence of these complex interrelationships within a biological system affects the evolutionary dynamics of that system. I present a mathematical formalism for multiscale structure, grounded in information theory, which makes these intuitions quantitative, and I show how dynamics defined in terms of population genetics or evolutionary game theory can lead to multiscale organization. For complex systems, "more is different," and I address this from several perspectives. Spatial host--consumer models demonstrate the importance of the structures which can arise due to dynamical pattern formation. Evolutionary game theory reveals the novel effects which can result from multiplayer games, nonlinear payoffs and ecological stochasticity. Replicator dynamics in an environment with mesoscale structure relates to generalized conditionalization rules in probability theory. The idea of natural selection "acting at multiple levels" has been mathematized in a variety of ways, not all of which are equivalent. We will face down the confusion, using the experience developed over the course of this thesis to clarify the situation.

Electronic structure and partial charge distribution of Doxorubicin in different molecular environments.

Science.gov (United States)

Poudel, Lokendra; Wen, Amy M; French, Roger H; Parsegian, V Adrian; Podgornik, Rudolf; Steinmetz, Nicole F; Ching, Wai-Yim

2015-05-18

The electronic structure and partial charge of doxorubicin (DOX) in three different molecular environments-isolated, solvated, and intercalated in a DNA complex-are studied by first-principles density functional methods. It is shown that the addition of solvating water molecules to DOX, together with the proximity to and interaction with DNA, has a significant impact on the electronic structure as well as on the partial charge distribution. Significant improvement in estimating the DOX-DNA interaction energy is achieved. The results are further elucidated by resolving the total density of states and surface charge density into different functional groups. It is concluded that the presence of the solvent and the details of the interaction geometry matter greatly in determining the stability of DOX complexation. Ab initio calculations on realistic models are an important step toward a more accurate description of the long-range interactions in biomolecular systems. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Nanomaterials under extreme environments: A study of structural and dynamic properties using reactive molecular dynamics simulations

Science.gov (United States)

Shekhar, Adarsh

Nanotechnology is becoming increasingly important with the continuing advances in experimental techniques. As researchers around the world are trying to expand the current understanding of the behavior of materials at the atomistic scale, the limited resolution of equipment, both in terms of time and space, act as roadblocks to a comprehensive study. Numerical methods, in general and molecular dynamics, in particular act as able compliment to the experiments in our quest for understanding material behavior. In this research work, large scale molecular dynamics simulations to gain insight into the mechano-chemical behavior under extreme conditions of a variety of systems with many real world applications. The body of this work is divided into three parts, each covering a particular system: 1) Aggregates of aluminum nanoparticles are good solid fuel due to high flame propagation rates. Multi-million atom molecular dynamics simulations reveal the mechanism underlying higher reaction rate in a chain of aluminum nanoparticles as compared to an isolated nanoparticle. This is due to the penetration of hot atoms from reacting nanoparticles to an adjacent, unreacted nanoparticle, which brings in external heat and initiates exothermic oxidation reactions. 2) Cavitation bubbles readily occur in fluids subjected to rapid changes in pressure. We use billion-atom reactive molecular dynamics simulations on a 163,840-processor BlueGene/P supercomputer to investigate chemical and mechanical damages caused by shock-induced collapse of nanobubbles in water near amorphous silica. Collapse of an empty nanobubble generates high-speed nanojet, resulting in the formation of a pit on the surface. The pit contains a large number of silanol groups and its volume is found to be directly proportional to the volume of the nanobubble. The gas-filled bubbles undergo partial collapse and consequently the damage on the silica surface is mitigated. 3) The structure and dynamics of water confined in

Wave propagations of curvilinear motors driven by partially laminated piezoelectric actuators

International Nuclear Information System (INIS)

Smithmaitrie, Pruittikorn; Suybangdum, Panumas; Muensit, Supasarote; Tzou, Horn-Sen

2008-01-01

A piezoelectric arc stator is the key component delivering driving actions to an ultrasonic curvilinear motor. The arc stator drives the rotor along the arc structure to any specific angular position. Usually conventional stators in ultrasonic motors are fully bounded with piezoelectric patch actuators. To reduce production costs while maintaining similar driving characteristics, an arc stator partially bonded with piezoelectric actuators is proposed and its dynamic characteristics are analyzed in this study. The effect of actuator locations on the wave propagation is investigated. Both analytical and finite element results demonstrate similar dynamic responses. That is, the response of the wave propagation depends on specific locations of piezoelectric actuators. One of the two configurations investigated shows that the partially laminated piezoelectric actuator pattern can also generate rather steady traveling waves on the stator with consistent wave amplitude. This implies that the partially laminated actuator technique could be an alternative actuator pattern to the fully laminated actuators in the design of ultrasonic curvilinear motors or other finite-length ultrasonic motors

Complex-Dynamic Cosmology and Emergent World Structure

OpenAIRE

Kirilyuk, Andrei P.

2004-01-01

Universe structure emerges in the unreduced, complex-dynamic interaction process with the simplest initial configuration (two attracting homogeneous fields, quant-ph/9902015). The unreduced interaction analysis gives intrinsically creative cosmology, describing the real, explicitly emerging world structure with dynamic randomness on each scale. Without imposing any postulates or entities, we obtain physically real space, time, elementary particles with their detailed structure and intrinsic p...

Partial Overhaul and Initial Parallel Optimization of KINETICS, a Coupled Dynamics and Chemistry Atmosphere Model

Science.gov (United States)

Nguyen, Howard; Willacy, Karen; Allen, Mark

2012-01-01

KINETICS is a coupled dynamics and chemistry atmosphere model that is data intensive and computationally demanding. The potential performance gain from using a supercomputer motivates the adaptation from a serial version to a parallelized one. Although the initial parallelization had been done, bottlenecks caused by an abundance of communication calls between processors led to an unfavorable drop in performance. Before starting on the parallel optimization process, a partial overhaul was required because a large emphasis was placed on streamlining the code for user convenience and revising the program to accommodate the new supercomputers at Caltech and JPL. After the first round of optimizations, the partial runtime was reduced by a factor of 23; however, performance gains are dependent on the size of the data, the number of processors requested, and the computer used.

Dynamical systems and algebra associated with seperated graphs

DEFF Research Database (Denmark)

Lolk, Matias

In this thesis, we study partial dynamical systems and graph algebras arising from nitely separated graphs. The thesis consists of an introduction followed by three papers, the rst of which is joint work with Pere Ara. In Article [A], we introduce convex subshifts, an abstract generalisation...... of the partial dynamical systems associated with nite separated graphs. We dene notions of a nite and innite type convex subshift and show that all such dynamical systems arise from a nite bipartite separated graph up to a suitable type of equivalence. We then study various aspects of the ideal structure...

Skew category algebras associated with partially defined dynamical systems

DEFF Research Database (Denmark)

Lundström, Patrik; Öinert, Per Johan

2012-01-01

We introduce partially defined dynamical systems defined on a topological space. To each such system we associate a functor s from a category G to Topop and show that it defines what we call a skew category algebra A ⋊σ G. We study the connection between topological freeness of s and, on the one...... hand, ideal properties of A ⋊σ G and, on the other hand, maximal commutativity of A in A ⋊σ G. In particular, we show that if G is a groupoid and for each e ∈ ob(G) the group of all morphisms e → e is countable and the topological space s(e) is Tychonoff and Baire. Then the following assertions...... are equivalent: (i) s is topologically free; (ii) A has the ideal intersection property, i.e. if I is a nonzero ideal of A ⋊σ G, then I ∩ A ≠ {0}; (iii) the ring A is a maximal abelian complex subalgebra of A ⋊σ G. Thereby, we generalize a result by Svensson, Silvestrov and de Jeu from the additive group...

A Force Method Model for Dynamic Analysis of Flat-Sag Cable Structures

Directory of Open Access Journals (Sweden)

Xing Ma

2009-01-01

Full Text Available A new force method is proposed for analysing the dynamic behaviour of oscillating cables with small sags. The accepted dynamic model of such cables reduces to a partial differential equation (the equation of motion and an integral equation (the compatibility equation. In the paper, D’Alembert’s travelling wave solution is applied to the partial differential equation (PDE. Substituting the solution into the compatibility and boundary conditions, the governing equation is obtained in terms of the dynamic tension increment. This equation has been named the force method dynamic equation (FMDE. In this way the infinite-degree-of-freedom dynamic system is effectively simplified to a system with only one unknown. Explicit solutions for both single-span and multi-span cable systems are derived. The natural frequencies obtained from the FMDE are shown to be identical to those deduced using the conventional displacement method (DM. Nonlinear governing equations are developed by considering the effect of quadratic and cubic displacement terms. Finally, two examples are presented to illustrate the accuracy of the proposed force method for single and multi-span cable systems subjected to harmonic forces.

Structure and dynamic properties on molten cuprous halides

Energy Technology Data Exchange (ETDEWEB)

Takeda, Shin' ichi [Department of Physics, Faculty of Sciences, Kyushu University, 4-2-1 Ropponmatsu Chuo-ku, Fukuoka 810 8560 (Japan)]. E-mail: takeda@rc.kyushu-u.ac.jp; Fujii, Hiroyuki [Graduate School of Sciences, Kyushu University, 4-2-1 Ropponmatsu Chuo-ku, Fukuoka 810 8560 (Japan); Japan Synchrotron Radiation Research Institute, 1-1-1 Kouto Mikazuki-cho, Sayo-gun, Hyogo 679 5198 (Japan); Kawakita, Yukinobu [Department of Physics, Faculty of Sciences, Kyushu University, 4-2-1 Ropponmatsu Chuo-ku, Fukuoka 810 8560 (Japan); Kato, Yasuhiko [Graduate School of Sciences, Kyushu University, 4-2-1 Ropponmatsu Chuo-ku, Fukuoka 810 8560 (Japan); Kohara, Sinji [Japan Synchrotron Radiation Research Institute, 1-1-1 Kouto Mikazuki-cho, Sayo-gun, Hyogo 679 5198 (Japan); Maruyama, Kenji [Department of Chemistry, Faculty of Science, 8050 Igarashi 2, Niigata University, Niigata 950 2181 (Japan)

2006-11-15

Neutron and X-ray diffraction measurements have been carried out for molten CuI at 650 deg. C. Both structure factors have been obtained in the wavenumber region beyond 20 A{sup -1}. The three partial structure factors and partial correlation functions have been derived from them with the aid of Reverse Monte Carlo analysis. The Cu-Cu correlation function has the first peak at 2.7 A penetrating into the first coordination shell of Cu-I correlation and a structureless tail, while the I-I correlation exibits long-range oscillations behind the first peak located around 4.35 A. The atomic arrangements for molten CuI are visualized in the figures.

Dynamic sign structures in visual art and music

DEFF Research Database (Denmark)

Zeller, Jörg

2006-01-01

Seemingly static meaning carriers in visual art are considered as aspects of holistic dynamical sign structures.......Seemingly static meaning carriers in visual art are considered as aspects of holistic dynamical sign structures....

Nitrogen dynamics in the soil-plant system under deficit and partial root-zone drying irrigation strategies in potatoes

DEFF Research Database (Denmark)

Shahnazari, Ali; Ahmadi, Seyed Hamid; Lærke, Poul Erik

2008-01-01

Experiments were conducted in lysimeters with sandy soil under an automatic rain-out shelter to study the effects of subsurface drip irrigation treatments, full irrigation (FI), deficit irrigation (DI) and partial root-zone drying (PRD), on nitrogen (N) dynamics in the soil-plant system of potatoes...

Nonlinear structural mechanics theory, dynamical phenomena and modeling

CERN Document Server

Lacarbonara, Walter

2013-01-01

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

An Investigation of dynamic characteristics of structures subjected to dynamic load from the viewpoint of design

International Nuclear Information System (INIS)

Lee, Hyun Ah; Kim, Yong Il; Park, Gyung Jin; Kang, Byung Soo; Kim, Joo Sung

2006-01-01

All the loads in the real world are dynamic loads and structural optimization under dynamic loads is very difficult. Thus the dynamic loads are often transformed to static loads by dynamic factors, which are believed equivalent to the dynamic loads. However, due to the difference of load characteristics, there can be considerable differences between the results from static and dynamic analyses. When the natural frequency of a structure is high, the dynamic analysis result is similar to that of static analysis due to the small inertia effect on the behavior of the structure. However, if the natural frequency of the structure is low, the inertia effect should not be ignored. then, the behavior of the dynamic system is different from that of the static system. The difference of the two cases can be explained from the relationship between the homogeneous and the particular solutions of the differential equation that governs the behavior of the structure. Through various examples, the difference between the dynamic analysis and the static analysis are shown. Also dynamic response optimization results are compared with the results with static loads transformed from dynamic loads by dynamic factors, which show the necessity of the design considering dynamic loads

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....... In numerical calculations, only a finite region of the foundation metium is analyzed and something is done to prevent the outgoing radiating waves to reflect from the regions's boundary. The prosent work concerns itself with the study of such effects, using the finite element method, and artificial...... transmitting boundary at the edges of the computational mesh. To start with, an investigation of the main effects of the interaction phenomena is carried out employing a widely used model, considering dynamic stiffness of the unbounded soil as frequency independent. Then a complete description...

Coherent structures and dynamical systems

Science.gov (United States)

Jimenez, Javier

1987-01-01

Any flow of a viscous fluid has a finite number of degrees of freedom, and can therefore be seen as a dynamical system. A coherent structure can be thought of as a lower dimensional manifold in whose neighborhood the dynamical system spends a substantial fraction of its time. If such a manifold exists, and if its dimensionality is substantially lower that that of the full flow, it is conceivable that the flow could be described in terms of the reduced set of degrees of freedom, and that such a description would be simpler than one in which the existence of structure was not recognized. Several examples are briefly summarized.

Mid-frequency Band Dynamics of Large Space Structures

Science.gov (United States)

Coppolino, Robert N.; Adams, Douglas S.

2004-01-01

High and low intensity dynamic environments experienced by a spacecraft during launch and on-orbit operations, respectively, induce structural loads and motions, which are difficult to reliably predict. Structural dynamics in low- and mid-frequency bands are sensitive to component interface uncertainty and non-linearity as evidenced in laboratory testing and flight operations. Analytical tools for prediction of linear system response are not necessarily adequate for reliable prediction of mid-frequency band dynamics and analysis of measured laboratory and flight data. A new MATLAB toolbox, designed to address the key challenges of mid-frequency band dynamics, is introduced in this paper. Finite-element models of major subassemblies are defined following rational frequency-wavelength guidelines. For computational efficiency, these subassemblies are described as linear, component mode models. The complete structural system model is composed of component mode subassemblies and linear or non-linear joint descriptions. Computation and display of structural dynamic responses are accomplished employing well-established, stable numerical methods, modern signal processing procedures and descriptive graphical tools. Parametric sensitivity and Monte-Carlo based system identification tools are used to reconcile models with experimental data and investigate the effects of uncertainties. Models and dynamic responses are exported for employment in applications, such as detailed structural integrity and mechanical-optical-control performance analyses.

Transient electromagnetic and dynamic structural analyses of a blanket structure with coupling effects

Energy Technology Data Exchange (ETDEWEB)

Koganezawa, K. [Mitsubishi Atomic Power Industries, Inc., Yokohama (Japan); Kushiyama, M. [Mitsubishi Atomic Power Industries, Inc., Yokohama (Japan); Niikura, S. [Mitsubishi Atomic Power Industries, Inc., Yokohama (Japan); Kudough, F. [Mitsubishi Atomic Power Industries, Inc., Yokohama (Japan); Onozuka, M. [Mitsubishi Heavy Industries Ltd., Yokohama (Japan); Koizumi, K. [Japan Atomic Energy Research Inst., Ibaraki (Japan)

1995-12-31

Transient electromagnetic and dynamic structural analyses of a blanket structure in the fusion experimental reactor (FER) under a plasma disruption event and a vertical displacement event (VDE) have been performed to investigate the dynamic structural characteristics and the feasibility of the structure. Coupling effects between eddy currents and dynamic deflections have also been taken into account in these analyses. In this study, the inboard blanket was employed because of our computer memory limitation. A 1/192 segment model of a full torus was analyzed using the analytical code, EDDYCUFF. In the plasma disruption event, the maximum magnetic pressure caused by eddy currents and poloidal fields was 1.2MPa. The maximum stress intensity by this magnetic pressure was 114MPa. In the VDE, the maximum magnetic pressure was 2.4MPa and the maximum stress intensity was 253MPa. This stress was somewhat beyond the allowable stress limit. Therefore, the blanket structure and support design should be reviewed to reduce the stress to a suitable value. In summary, the dynamic structural characteristics and design issues of the blanket structure have been identified. (orig.).

Modified Statistical Dynamical Diffraction Theory: A Novel Metrological Analysis Method for Partially Relaxed and Defective Carbon-doped Silicon and Silicon Germanium Heterostructures

Science.gov (United States)

Shreeman, Paul K.

The statistical dynamical diffraction theory, which has been initially developed by late Kato remained in obscurity for many years due to intense and difficult mathematical treatment that proved to be quite challenging to implement and apply. With assistance of many authors in past (including Bushuev, Pavlov, Pungeov, and among the others), it became possible to implement this unique x-ray diffraction theory that combines the kinematical (ideally imperfect) and dynamical (the characteristically perfect diffraction) into a single system of equations controlled by two factors determined by long range order and correlation function within the structure. The first stage is completed by the publication (Shreeman and Matyi, J. Appl. Cryst., 43, 550 (2010)) demonstrating the functionality of this theory with new modifications hence called modified statistical dynamical diffraction theory (mSDDT). The foundation of the theory is also incorporated into this dissertation, and the next stage of testing the model against several ion-implanted SiGe materials has been published: (Shreeman and Matyi, physica status solidi (a)208(11), 2533-2538, 2011). The dissertation with all the previous results summarized, dives into comprehensive analysis of HRXRD analyses complete with several different types of reflections (symmetrical, asymmetrical and skewed geometry). The dynamical results (with almost no defects) are compared with well-known commercial software. The defective materials, to which commercially available modeling software falls short, is then characterized and discussed in depth. The results will exemplify the power of the novel approach in the modified statistical dynamical diffraction theory: Ability to detect and measure defective structures qualitatively and quantitatively. The analysis will be compared alongside with TEM data analysis for verification and confirmation. The application of this theory will accelerate the ability to quickly characterize the relaxed/partially

Dynamic response of structures with uncertain parameters

International Nuclear Information System (INIS)

Cai, Z H; Liu, Y; Yang, Y

2010-01-01

In this paper, an interval method for the dynamic response of structures with uncertain parameters is presented. In the presented method, the structural physical and geometric parameters and loads can be considered as interval variables. The structural stiffness matrix, mass matrix and loading vectors are described as the sum of two parts corresponding to the deterministic matrix and the uncertainty of the interval parameters. The interval problem is then transformed into approximate deterministic one. The Laplace transform is used to transform the equations of the dynamic system into linear algebra equations. The Maclaurin series expansion is applied on the modified dynamic equation in order to deal with the linear algebra equations. Numerical examples are studied by the presented interval method for the cases with and without damping. The upper bound and lower bound of the dynamic responses of the examples are compared, and it shows that the presented method is effective.

Structural system identification: Structural dynamics model validation

Energy Technology Data Exchange (ETDEWEB)

Red-Horse, J.R.

1997-04-01

Structural system identification is concerned with the development of systematic procedures and tools for developing predictive analytical models based on a physical structure`s dynamic response characteristics. It is a multidisciplinary process that involves the ability (1) to define high fidelity physics-based analysis models, (2) to acquire accurate test-derived information for physical specimens using diagnostic experiments, (3) to validate the numerical simulation model by reconciling differences that inevitably exist between the analysis model and the experimental data, and (4) to quantify uncertainties in the final system models and subsequent numerical simulations. The goal of this project was to develop structural system identification techniques and software suitable for both research and production applications in code and model validation.

Poisson structure of dynamical systems with three degrees of freedom

Science.gov (United States)

Gümral, Hasan; Nutku, Yavuz

1993-12-01

It is shown that the Poisson structure of dynamical systems with three degrees of freedom can be defined in terms of an integrable one-form in three dimensions. Advantage is taken of this fact and the theory of foliations is used in discussing the geometrical structure underlying complete and partial integrability. Techniques for finding Poisson structures are presented and applied to various examples such as the Halphen system which has been studied as the two-monopole problem by Atiyah and Hitchin. It is shown that the Halphen system can be formulated in terms of a flat SL(2,R)-valued connection and belongs to a nontrivial Godbillon-Vey class. On the other hand, for the Euler top and a special case of three-species Lotka-Volterra equations which are contained in the Halphen system as limiting cases, this structure degenerates into the form of globally integrable bi-Hamiltonian structures. The globally integrable bi-Hamiltonian case is a linear and the SL(2,R) structure is a quadratic unfolding of an integrable one-form in 3+1 dimensions. It is shown that the existence of a vector field compatible with the flow is a powerful tool in the investigation of Poisson structure and some new techniques for incorporating arbitrary constants into the Poisson one-form are presented herein. This leads to some extensions, analogous to q extensions, of Poisson structure. The Kermack-McKendrick model and some of its generalizations describing the spread of epidemics, as well as the integrable cases of the Lorenz, Lotka-Volterra, May-Leonard, and Maxwell-Bloch systems admit globally integrable bi-Hamiltonian structure.

31st IMAC Conference on Structural Dynamics

CERN Document Server

Adams, Douglas; Carrella, Alex; Mayes, Randy; Rixen, Daniel; Allen, Matt; Cunha, Alvaro; Catbas, Fikret; Pakzad, Shamim; Racic, Vitomir; Pavic, Aleksandar; Reynolds, Paul; Simmermacher, Todd; Cogan, Scott; Moaveni, Babak; Papadimitriou, Costas; Allemang, Randall; Clerck, James; Niezrecki, Christopher; Wicks, Alfred

2013-01-01

Topics in Nonlinear Dynamics, Volume 1: Proceedings of the 31st IMAC, A Conference and Exposition on Structural Dynamics, 2013, the first volume of seven from the Conference, brings together contributions to this important area of research and engineering. The collection presents early findings and case studies on fundamental and applied aspects of Structural Dynamics, including papers on:   Nonlinear Oscillations Nonlinearities In Practice Nonlinear System Identification: Methods Nonlinear System Identification: Friction & Contact Nonlinear Modal Analysis Nonlinear Modeling & Simulation Nonlinear Vibration Absorbers Constructive Utilization of Nonlinearity.

Extinction partially reverts structural changes associated with remote fear memory

DEFF Research Database (Denmark)

Vetere, Gisella; Restivo, Leonardo; Novembre, Giovanni

2011-01-01

Structural synaptic changes occur in medial prefrontal cortex circuits during remote memory formation. Whether extinction reverts or further reshapes these circuits is, however, unknown. Here we show that the number and the size of spines were enhanced in anterior cingulate (aCC) and infralimbic...... (ILC) cortices 36 d following contextual fear conditioning. Upon extinction, aCC spine density returned to baseline, but the enhanced proportion of large spines did not. Differently, ILC spine density remained elevated, but the size of spines decreased dramatically. Thus, extinction partially erases...

Structural and dynamical properties of Yukawa balls

International Nuclear Information System (INIS)

Block, D; Kroll, M; Arp, O; Piel, A; Kaeding, S; Ivanov, Y; Melzer, A; Henning, C; Baumgartner, H; Ludwig, P; Bonitz, M

2007-01-01

To study the structural and dynamical properties of finite 3D dust clouds (Yukawa balls) new diagnostic tools have been developed. This contribution describes the progress towards 3D diagnostics for measuring the particle positions. It is shown that these diagnostics are capable of investigating the structural and dynamical properties of Yukawa balls and gaining insight into their basic construction principles

Structure and Dynamics of Negative Ions

International Nuclear Information System (INIS)

None

2000-01-01

This report describes progress made during the final three-year grant period 1997-2000. During this period, we experimentally investigated the structure and dynamics of negative ions by detaching the outermost electron in controlled processes induced by photon-, electron- and heavy particle-impact. In this manner we studied, at a fundamental level, the role of electron correlation in the structure and dynamics of simple, few-particle atomic systems. Our measurements have provided sensitive tests of the ability of theory to go beyond the independent electron model

Microstrip linear phase low pass filter based on defected ground structures for partial response modulation

DEFF Research Database (Denmark)

Cimoli, Bruno; Johansen, Tom Keinicke; Olmos, Juan Jose Vegas

2018-01-01

We report a high performance linear phase low pass filter (LPF) designed for partial response (PR) modulations. For the implementation, we adopted microstrip technology and a variant of the standard stepped‐impedance technique. Defected ground structures (DGS) are used for increasing the characte......We report a high performance linear phase low pass filter (LPF) designed for partial response (PR) modulations. For the implementation, we adopted microstrip technology and a variant of the standard stepped‐impedance technique. Defected ground structures (DGS) are used for increasing...... the characteristic impedance of transmission lines. Experimental results prove that the proposed filter can successfully modulate a non‐return‐to‐zero (NRZ) signal into a five levels PR one....

Fundamental partial compositeness

CERN Document Server

Sannino, Francesco

2016-11-07

We construct renormalizable Standard Model extensions, valid up to the Planck scale, that give a composite Higgs from a new fundamental strong force acting on fermions and scalars. Yukawa interactions of these particles with Standard Model fermions realize the partial compositeness scenario. Successful models exist because gauge quantum numbers of Standard Model fermions admit a minimal enough 'square root'. Furthermore, right-handed SM fermions have an SU(2)$_R$-like structure, yielding a custodially-protected composite Higgs. Baryon and lepton numbers arise accidentally. Standard Model fermions acquire mass at tree level, while the Higgs potential and flavor violations are generated by quantum corrections. We further discuss accidental symmetries and other dynamical features stemming from the new strongly interacting scalars. If the same phenomenology can be obtained from models without our elementary scalars, they would reappear as composite states.

Passivation and control of partially known SISO nonlinear systems via dynamic neural networks

Directory of Open Access Journals (Sweden)

Reyes-Reyes J.

2000-01-01

Full Text Available In this paper, an adaptive technique is suggested to provide the passivity property for a class of partially known SISO nonlinear systems. A simple Dynamic Neural Network (DNN, containing only two neurons and without any hidden-layers, is used to identify the unknown nonlinear system. By means of a Lyapunov-like analysis the new learning law for this DNN, guarantying both successful identification and passivation effects, is derived. Based on this adaptive DNN model, an adaptive feedback controller, serving for wide class of nonlinear systems with an a priori incomplete model description, is designed. Two typical examples illustrate the effectiveness of the suggested approach.

Unifying dynamical and structural stability of equilibria

Science.gov (United States)

Arnoldi, Jean-François; Haegeman, Bart

2016-09-01

We exhibit a fundamental relationship between measures of dynamical and structural stability of linear dynamical systems-e.g. linearized models in the vicinity of equilibria. We show that dynamical stability, quantified via the response to external perturbations (i.e. perturbation of dynamical variables), coincides with the minimal internal perturbation (i.e. perturbations of interactions between variables) able to render the system unstable. First, by reformulating a result of control theory, we explain that harmonic external perturbations reflect the spectral sensitivity of the Jacobian matrix at the equilibrium, with respect to constant changes of its coefficients. However, for this equivalence to hold, imaginary changes of the Jacobian's coefficients have to be allowed. The connection with dynamical stability is thus lost for real dynamical systems. We show that this issue can be avoided, thus recovering the fundamental link between dynamical and structural stability, by considering stochastic noise as external and internal perturbations. More precisely, we demonstrate that a linear system's response to white-noise perturbations directly reflects the intensity of internal white-noise disturbance that it can accommodate before becoming stochastically unstable.

Some problems of dynamical systems on three dimensional manifolds

International Nuclear Information System (INIS)

Dong Zhenxie.

1985-08-01

It is important to study the dynamical systems on 3-dimensional manifolds, its importance is showing up in its close relation with our life. Because of the complication of topological structure of Dynamical systems on 3-dimensional manifolds, generally speaking, the search for 3-dynamical systems is not easier than 2-dynamical systems. This paper is a summary of the partial result of dynamical systems on 3-dimensional manifolds. (author)

Partially composite Goldstone Higgs boson

DEFF Research Database (Denmark)

Alanne, Tommi; Franzosi, Diogo Buarque; Frandsen, Mads T.

2017-01-01

We consider a model of dynamical electroweak symmetry breaking with a partially composite Goldstone Higgs boson. The model is based on a strongly interacting fermionic sector coupled to a fundamental scalar sector via Yukawa interactions. The SU(4)×SU(4) global symmetry of these two sectors...... is broken to a single SU(4) via Yukawa interactions. Electroweak symmetry breaking is dynamically induced by condensation due to the strong interactions in the new fermionic sector which further breaks the global symmetry SU(4)→Sp(4). The Higgs boson arises as a partially composite state which is an exact...... Goldstone boson in the limit where SM interactions are turned off. Terms breaking the SU(4) global symmetry explicitly generate a mass for the Goldstone Higgs boson. The model realizes in different limits both (partially) composite Higgs and (bosonic) technicolor models, thereby providing a convenient...

Recent Progress in Heliogyro Solar Sail Structural Dynamics

Science.gov (United States)

Wilkie, William K.; Warren, Jerry E.; Horta, Lucas G.; Juang, Jer-Nan; Gibbs, Samuel C.; Dowell, E.; Guerrant, Daniel; Lawrence Dale

2014-01-01

Results from recent National Aeronautics and Space Administration (NASA) research on the structural dynamics and control characteristics of heliogyro solar sails are summarized. Specific areas under investigation include coupled nonlinear finite element analysis of heliogyro membrane blade with solar radiation pressure effects, system identification of spinning membrane structures, solarelastic stability analysis of heliogyro solar sails, including stability during blade deployment, and results from small-scale in vacuo dynamics experiments with spinning high-aspect ratio membranes. A low-cost, rideshare payload heliogyro technology demonstration mission concept, used as a mission context for these heliogyro structural dynamics and solarelasticity investigations, is also described.

Model reduction for the dynamics and control of large structural systems via neutral network processing direct numerical optimization

Science.gov (United States)

Becus, Georges A.; Chan, Alistair K.

1993-01-01

Three neural network processing approaches in a direct numerical optimization model reduction scheme are proposed and investigated. Large structural systems, such as large space structures, offer new challenges to both structural dynamicists and control engineers. One such challenge is that of dimensionality. Indeed these distributed parameter systems can be modeled either by infinite dimensional mathematical models (typically partial differential equations) or by high dimensional discrete models (typically finite element models) often exhibiting thousands of vibrational modes usually closely spaced and with little, if any, damping. Clearly, some form of model reduction is in order, especially for the control engineer who can actively control but a few of the modes using system identification based on a limited number of sensors. Inasmuch as the amount of 'control spillover' (in which the control inputs excite the neglected dynamics) and/or 'observation spillover' (where neglected dynamics affect system identification) is to a large extent determined by the choice of particular reduced model (RM), the way in which this model reduction is carried out is often critical.

Ab initio molecular dynamics simulation of the liquid and amorphous structure of Mg65Cu25Gd10 alloy

International Nuclear Information System (INIS)

Gao, R.; Zhao, Y.F.; Liu, X.J.; Liu, Z.K.; Hui, X.

2013-01-01

The liquid and amorphous structures of Mg 65 Cu 25 Gd 10 alloy were studied by using molecular dynamics methods within the frame of density functional theory. The generalized and partial pair correlation functions, structure factors, coordination numbers and bond pairs for this alloy were analyzed. It is shown that this alloy exhibit typical characterization of liquid structure at the temperature higher than 750 K, and of amorphous structure with shoulders on the second diffuse peaks of the pair correlation functions curves at room temperature. The local short and medium range ordering tends to be increased with the decrease of temperature. Both the liquid and the amorphous structures are mainly composed of icosahedral type of bond pairs. Perfect and distorted icosahedra can be differentiated from the atomic configuration of the amorphous alloy

Structural and Dynamical Properties of 2:1 Phyllosilicates Edges and Nanoparticles

Science.gov (United States)

Newton, A. G.; Sposito, G.

2012-12-01

Classical mechanics simulations of bulk 2:1 phyllosilicate minerals provide atomic scale perspectives of the macroscopic sorption and diffusion phenomena in interlayer nanopores. An equivalent perspective of these interfacial phenomena in macropores bounded by the edges of stacked phyllosilicate particles is not possible due to the absence of a forcefield for the edges of phyllosilicate minerals. A valid forcefield to describe the phyllosilicate edge is essential to link the quantum and continuum mechanical models. The inherently disordered edge of 2:1 phyllosilicate minerals and rarity of well-crystallized samples further complicates the task of validating a forcefield for the phyllosilicate edge. Periodic bond chain theory identifies three tetrahedral-octahedral-tetrahedral (TOT) structures that parallel the edge faces of pseudohexagonal phyllosilicate particles. These TOT structures are the basis of atomistic models of the dominant edge interface and nanoparticles. The CLAYFF forcefield describes all pairwise atomic interactions with only minimal partial charge adjustments to maintain model neutrality, where necessary. Atomistic simulations in the isobaric-isothermal ensemble at nanosecond timescales predict equilibrium edge structures and dynamical properties of the aqueous interface. The CLAYFF forcefield and the limited adjustments to parameters predict edge and particle structures that are consistent with the results of ab initio MD simulations, support macroscopic observations of phyllosilicate reactivity, and provide legitimacy for disordered models of 2:1 phyllosilicates. The heterogeneous edge structures can be explained by the chemistry of the octahedral cation and surface charge anisotropy. In the plane of the octahedral sheet, the cations of the octahedral layer can assume four-, five-, and six-coordinate polyhedral geometries at the edge interface. These disordered edge structures create alternate alignments in the tetrahedral sheet. The structural

Simultaneous determination of protein structure and dynamics

DEFF Research Database (Denmark)

Lindorff-Larsen, Kresten; Best, Robert B.; DePristo, M. A.

2005-01-01

at the atomic level about the structural and dynamical features of proteins-with the ability of molecular dynamics simulations to explore a wide range of protein conformations. We illustrate the method for human ubiquitin in solution and find that there is considerable conformational heterogeneity throughout......We present a protocol for the experimental determination of ensembles of protein conformations that represent simultaneously the native structure and its associated dynamics. The procedure combines the strengths of nuclear magnetic resonance spectroscopy-for obtaining experimental information...... the protein structure. The interior atoms of the protein are tightly packed in each individual conformation that contributes to the ensemble but their overall behaviour can be described as having a significant degree of liquid-like character. The protocol is completely general and should lead to significant...

The Structure and Dynamics of GRB Jets

Energy Technology Data Exchange (ETDEWEB)

Granot, Jonathan; /KIPAC, Menlo Park

2006-10-25

There are several lines of evidence which suggest that the relativistic outflows in gamma-ray bursts (GRBs) are collimated into narrow jets. The jet structure has important implications for the true energy release and the event rate of GRBs, and can constrain the mechanism responsible for the acceleration and collimation of the jet. Nevertheless, the jet structure and its dynamics as it sweeps up the external medium and decelerates, are not well understood. In this review I discuss our current understanding of GRB jets, stressing their structure and dynamics.

Chemical structure and dynamics: Annual report 1993

Energy Technology Data Exchange (ETDEWEB)

Colson, S.D.

1994-07-01

The Chemical Structure and Dynamics program responds to the need for a fundamental, molecular-level understanding of chemistry at the wide variety of environmentally-important interfaces. The research program is built around the established relationship between structure, thermodynamics, and kinetics. This research effort continues to evolve into a program of rigorous studies of fundamental molecular processes in model systems (e.g., well-characterized surfaces, single-component solutions, clusters, and biological molecules), and studies of complex systems found in the environment. Experimental studies of molecular and supramolecular structures and thermodynamics are key to understanding the nature of matter, and lead to direct comparison with computational results. Kinetic and mechanistic measurements, combined with real-time dynamics measurements of atomic and molecular motions during chemical reactions, provide for a molecular-level description of chemical reactions. The anticipated results of this work are the achievement of a quantitative understanding of chemical processes at complex interfaces, the development of new techniques for the detection and measurement of species at such interfaces, and the interpretation and extrapolation of the observations in terms of models of interfacial chemistry. The Chemical Structure and Dynamics research program includes five areas described in detail in this report: Reaction mechanisms at solid interfaces; Solution and solution interfaces; Structure and dynamics of biological systems; Analytical methods development; and atmospheric chemistry. Extended abstracts are presented for 23 studies.

Design optimization applied in structural dynamics

NARCIS (Netherlands)

Akcay-Perdahcioglu, Didem; de Boer, Andries; van der Hoogt, Peter; Tiskarna, T

2007-01-01

This paper introduces the design optimization strategies, especially for structures which have dynamic constraints. Design optimization involves first the modeling and then the optimization of the problem. Utilizing the Finite Element (FE) model of a structure directly in an optimization process

Modal analysis application for dynamic characterization of simple structures

International Nuclear Information System (INIS)

Pastorini, A.J.; Belinco, C.G.

1987-01-01

The knowledge of the dynamic characteristics of a structure helps to foresee the vibrating behaviour under operating conditions. The modal analysis techniques offer a method to perform the dynamic characterization of a studied structure from the vibration modes of such structure. A hammer provided with a loaded cell to excite a wide frequency band and accelerometer and, on the basis of a measurement of the transfer function at different points, various simple structures were given with a dynamic structures analysis (of the type of Fourier's rapidly transformation) and the results were compared with those obtained by other methods. Different fields where these techniques are applied, are also enumerated. (Author)

A Partially-Stirred Batch Reactor Model for Under-Ventilated Fire Dynamics

Science.gov (United States)

McDermott, Randall; Weinschenk, Craig

2013-11-01

A simple discrete quadrature method is developed for closure of the mean chemical source term in large-eddy simulations (LES) and implemented in the publicly available fire model, Fire Dynamics Simulator (FDS). The method is cast as a partially-stirred batch reactor model for each computational cell. The model has three distinct components: (1) a subgrid mixing environment, (2) a mixing model, and (3) a set of chemical rate laws. The subgrid probability density function (PDF) is described by a linear combination of Dirac delta functions with quadrature weights set to satisfy simple integral constraints for the computational cell. It is shown that under certain limiting assumptions, the present method reduces to the eddy dissipation concept (EDC). The model is used to predict carbon monoxide concentrations in direct numerical simulation (DNS) of a methane slot burner and in LES of an under-ventilated compartment fire.

Stress analysis of partial sphere used for bottom shell of off-shore structure

International Nuclear Information System (INIS)

Nishimaki, Ko; Matsumoto, Kohei; Hori, Tohru; Takeshita, Haruyuki; Iwata, Setsuo

1976-01-01

In the near future, various huge off-shore structures will be constructed. Concrete shall become a leading material in the structures, owing to its versatile properties. One of the limitations of concrete is its low tensile strength. The problem of low tensile strength of concrete is dealt with in main by two different methods: by applying prestressing and by designing the structural configuration so that no tensile stresses appear. In the paper, the authors discuss the application of partially spherical shell to huge off-shore structures. Structural analysis by using the finite element method were done in order to investigate the feasibility of the structure. The results were arranged as to certain parameters to derive design charts by which the stresses of check points can be presumed. Optimum shape is also discussed. (auth.)

Study on Human-structure Dynamic Interaction in Civil Engineering

Science.gov (United States)

Gao, Feng; Cao, Li Lin; Li, Xing Hua

2018-06-01

The research of human-structure dynamic interaction are reviewed. Firstly, the influence of the crowd load on structural dynamic characteristics is introduced and the advantages and disadvantages of different crowd load models are analyzed. Then, discussing the influence of structural vibration on the human-induced load, especially the influence of different stiffness structures on the crowd load. Finally, questions about human-structure interaction that require further study are presented.

From Dynamic Condition Response Structures to Büchi Automata

DEFF Research Database (Denmark)

Mukkamala, Raghava Rao; Hildebrandt, Thomas

2010-01-01

Recently we have presented distributed dynamic condition response structures (DCR structures) as a declarative process model conservatively generalizing labelled event structures to allow for finite specifications of repeated, possibly infinite behavior. The key ideas are to split the causality...... relation of event structures in two dual relations: the condition relation and the response relation, to split the conflict relation in two relations: the dynamic exclusion and dynamic inclusion, and finally to allow configurations to be multi sets of events. In the present abstract we recall the model...... and show how to characterise the execution of DCR structures and the acceptance condition for infinite runs by giving a map to Bu ̈chi-automata. This is the first step towards automatic verification of processes specified as DCR structures....

Sparse dynamics for partial differential equations.

Science.gov (United States)

Schaeffer, Hayden; Caflisch, Russel; Hauck, Cory D; Osher, Stanley

2013-04-23

We investigate the approximate dynamics of several differential equations when the solutions are restricted to a sparse subset of a given basis. The restriction is enforced at every time step by simply applying soft thresholding to the coefficients of the basis approximation. By reducing or compressing the information needed to represent the solution at every step, only the essential dynamics are represented. In many cases, there are natural bases derived from the differential equations, which promote sparsity. We find that our method successfully reduces the dynamics of convection equations, diffusion equations, weak shocks, and vorticity equations with high-frequency source terms.

Improving the Dynamic Characteristics of Body-in-White Structure Using Structural Optimization

Directory of Open Access Journals (Sweden)

Aizzat S. Yahaya Rashid

2014-01-01

Full Text Available The dynamic behavior of a body-in-white (BIW structure has significant influence on the noise, vibration, and harshness (NVH and crashworthiness of a car. Therefore, by improving the dynamic characteristics of BIW, problems and failures associated with resonance and fatigue can be prevented. The design objectives attempt to improve the existing torsion and bending modes by using structural optimization subjected to dynamic load without compromising other factors such as mass and stiffness of the structure. The natural frequency of the design was modified by identifying and reinforcing the structure at critical locations. These crucial points are first identified by topology optimization using mass and natural frequencies as the design variables. The individual components obtained from the analysis go through a size optimization step to find their target thickness of the structure. The thickness of affected regions of the components will be modified according to the analysis. The results of both optimization steps suggest several design modifications to achieve the target vibration specifications without compromising the stiffness of the structure. A method of combining both optimization approaches is proposed to improve the design modification process.

Large-Scale Structure and Dynamics of the Sub-Auroral Polarization Stream (SAPS)

Science.gov (United States)

Baker, J. B. H.; Nishitani, N.; Kunduri, B.; Ruohoniemi, J. M.; Sazykin, S. Y.

2017-12-01

The Sub-Auroral Polarization Stream (SAPS) is a narrow channel of high-speed westward ionospheric convection which appears equatorward of the duskside auroral oval during geomagnetically active periods. SAPS is generally thought to occur when the partial ring current intensifies and enhanced region-2 field-aligned currents (FACs) are forced to close across the low conductance region of the mid-latitude ionospheric trough. However, recent studies have suggested SAPS can also occur during non-storm periods, perhaps associated with substorm activity. In this study, we used measurements from mid-latitude SuperDARN radars to examine the large-scale structure and dynamics of SAPS during several geomagnetically active days. Linear correlation analysis applied across all events suggests intensifications of the partial ring current (ASYM-H index) and auroral activity (AL index) are both important driving influences for controlling the SAPS speed. Specifically, SAPS flows increase, on average, by 20-40 m/s per 10 nT of ASYM-H and 10-30 m/s per 100 nT of AL. These dependencies tend to be stronger during the storm recovery phase. There is also a strong local time dependence such that the strength of SAPS flows decrease by 70-80 m/s for each hour of local time moving from dusk to midnight. By contrast, the evidence for direct solar wind control of SAPS speed is much less consistent, with some storms showing strong correlations with the interplanetary electric field components and/or solar wind dynamic pressure, while others do not. These results are discussed in the context of recent simulation results from the Rice Convection Model (RCM).

Computational Fluid Dynamics Modeling Three-Dimensional Unsteady Turbulent Flow and Excitation Force in Partial Admission Air Turbine

Directory of Open Access Journals (Sweden)

Yonghui Xie

2013-01-01

Full Text Available Air turbines are widely used to convert kinetic energy into power output in power engineering. The unsteady performance of air turbines with partial admission not only influences the aerodynamic performance and thermodynamic efficiency of turbine but also generates strong excitation force on blades to impair the turbine safely operating. Based on three-dimensional viscous compressible Navier-stokes equations, the present study employs RNG (Renormalization group k-ε turbulence model with finite volume discretization on air turbine with partial admission. Numerical models of four different admission rates with full annulus are built and analyzed via CFD (computational fluid dynamics modeling unsteady flows. Results indicate that the unsteady time-averaged isentropic efficiency is lower than the steady isentropic efficiency, and this difference rises as unsteady isentropic efficiency fluctuates stronger when the admission rate is reduced. The rotor axial and tangential forces with time are provided for all four admission rates. The low frequency excitation forces generated by partial admission are extraordinarily higher than the high frequency excitation forces by stator wakes.

Dynamics of a bistable Miura-origami structure

Science.gov (United States)

Fang, Hongbin; Li, Suyi; Ji, Huimin; Wang, K. W.

2017-05-01

Origami-inspired structures and materials have shown extraordinary properties and performances originating from the intricate geometries of folding. However, current state of the art studies have mostly focused on static and quasistatic characteristics. This research performs a comprehensive experimental and analytical study on the dynamics of origami folding through investigating a stacked Miura-Ori (SMO) structure with intrinsic bistability. We fabricate and experimentally investigated a bistable SMO prototype with rigid facets and flexible crease lines. Under harmonic base excitation, the SMO exhibits both intrawell and interwell oscillations. Spectrum analyses reveal that the dominant nonlinearities of SMO are quadratic and cubic, which generate rich dynamics including subharmonic and chaotic oscillations. The identified nonlinearities indicate that a third-order polynomial can be employed to approximate the measured force-displacement relationship. Such an approximation is validated via numerical study by qualitatively reproducing the phenomena observed in the experiments. The dynamic characteristics of the bistable SMO resemble those of a Helmholtz-Duffing oscillator (HDO); this suggests the possibility of applying the established tools and insights of HDO to predict origami dynamics. We also show that the bistability of SMO can be programmed within a large design space via tailoring the crease stiffness and initial stress-free configurations. The results of this research offer a wealth of fundamental insights into the dynamics of origami folding, and provide a solid foundation for developing foldable and deployable structures and materials with embedded dynamic functionalities.

Dynamics of a bistable Miura-origami structure.

Science.gov (United States)

Fang, Hongbin; Li, Suyi; Ji, Huimin; Wang, K W

2017-05-01

Origami-inspired structures and materials have shown extraordinary properties and performances originating from the intricate geometries of folding. However, current state of the art studies have mostly focused on static and quasistatic characteristics. This research performs a comprehensive experimental and analytical study on the dynamics of origami folding through investigating a stacked Miura-Ori (SMO) structure with intrinsic bistability. We fabricate and experimentally investigated a bistable SMO prototype with rigid facets and flexible crease lines. Under harmonic base excitation, the SMO exhibits both intrawell and interwell oscillations. Spectrum analyses reveal that the dominant nonlinearities of SMO are quadratic and cubic, which generate rich dynamics including subharmonic and chaotic oscillations. The identified nonlinearities indicate that a third-order polynomial can be employed to approximate the measured force-displacement relationship. Such an approximation is validated via numerical study by qualitatively reproducing the phenomena observed in the experiments. The dynamic characteristics of the bistable SMO resemble those of a Helmholtz-Duffing oscillator (HDO); this suggests the possibility of applying the established tools and insights of HDO to predict origami dynamics. We also show that the bistability of SMO can be programmed within a large design space via tailoring the crease stiffness and initial stress-free configurations. The results of this research offer a wealth of fundamental insights into the dynamics of origami folding, and provide a solid foundation for developing foldable and deployable structures and materials with embedded dynamic functionalities.

Structured decomposition design of partial Mueller matrix polarimeters.

Science.gov (United States)

Alenin, Andrey S; Scott Tyo, J

2015-07-01

Partial Mueller matrix polarimeters (pMMPs) are active sensing instruments that probe a scattering process with a set of polarization states and analyze the scattered light with a second set of polarization states. Unlike conventional Mueller matrix polarimeters, pMMPs do not attempt to reconstruct the entire Mueller matrix. With proper choice of generator and analyzer states, a subset of the Mueller matrix space can be reconstructed with fewer measurements than that of the full Mueller matrix polarimeter. In this paper we consider the structure of the Mueller matrix and our ability to probe it using a reduced number of measurements. We develop analysis tools that allow us to relate the particular choice of generator and analyzer polarization states to the portion of Mueller matrix space that the instrument measures, as well as develop an optimization method that is based on balancing the signal-to-noise ratio of the resulting instrument with the ability of that instrument to accurately measure a particular set of desired polarization components with as few measurements as possible. In the process, we identify 10 classes of pMMP systems, for which the space coverage is immediately known. We demonstrate the theory with a numerical example that designs partial polarimeters for the task of monitoring the damage state of a material as presented earlier by Hoover and Tyo [Appl. Opt.46, 8364 (2007)10.1364/AO.46.008364APOPAI1559-128X]. We show that we can reduce the polarimeter to making eight measurements while still covering the Mueller matrix subspace spanned by the objects.

Correlation of chemical shifts predicted by molecular dynamics simulations for partially disordered proteins

Energy Technology Data Exchange (ETDEWEB)

Karp, Jerome M.; Erylimaz, Ertan; Cowburn, David, E-mail: cowburn@cowburnlab.org, E-mail: David.cowburn@einstein.yu.edu [Albert Einstein College of Medicine of Yeshiva University, Department of Biochemistry (United States)

2015-01-15

There has been a longstanding interest in being able to accurately predict NMR chemical shifts from structural data. Recent studies have focused on using molecular dynamics (MD) simulation data as input for improved prediction. Here we examine the accuracy of chemical shift prediction for intein systems, which have regions of intrinsic disorder. We find that using MD simulation data as input for chemical shift prediction does not consistently improve prediction accuracy over use of a static X-ray crystal structure. This appears to result from the complex conformational ensemble of the disordered protein segments. We show that using accelerated molecular dynamics (aMD) simulations improves chemical shift prediction, suggesting that methods which better sample the conformational ensemble like aMD are more appropriate tools for use in chemical shift prediction for proteins with disordered regions. Moreover, our study suggests that data accurately reflecting protein dynamics must be used as input for chemical shift prediction in order to correctly predict chemical shifts in systems with disorder.

Algebraic dynamics solutions and algebraic dynamics algorithm for nonlinear ordinary differential equations

Institute of Scientific and Technical Information of China (English)

WANG; Shunjin; ZHANG; Hua

2006-01-01

The problem of preserving fidelity in numerical computation of nonlinear ordinary differential equations is studied in terms of preserving local differential structure and approximating global integration structure of the dynamical system.The ordinary differential equations are lifted to the corresponding partial differential equations in the framework of algebraic dynamics,and a new algorithm-algebraic dynamics algorithm is proposed based on the exact analytical solutions of the ordinary differential equations by the algebraic dynamics method.In the new algorithm,the time evolution of the ordinary differential system is described locally by the time translation operator and globally by the time evolution operator.The exact analytical piece-like solution of the ordinary differential equations is expressd in terms of Taylor series with a local convergent radius,and its finite order truncation leads to the new numerical algorithm with a controllable precision better than Runge Kutta Algorithm and Symplectic Geometric Algorithm.

Proteins with Novel Structure, Function and Dynamics

Science.gov (United States)

Pohorille, Andrew

2014-01-01

Recently, a small enzyme that ligates two RNA fragments with the rate of 10(exp 6) above background was evolved in vitro (Seelig and Szostak, Nature 448:828-831, 2007). This enzyme does not resemble any contemporary protein (Chao et al., Nature Chem. Biol. 9:81-83, 2013). It consists of a dynamic, catalytic loop, a small, rigid core containing two zinc ions coordinated by neighboring amino acids, and two highly flexible tails that might be unimportant for protein function. In contrast to other proteins, this enzyme does not contain ordered secondary structure elements, such as alpha-helix or beta-sheet. The loop is kept together by just two interactions of a charged residue and a histidine with a zinc ion, which they coordinate on the opposite side of the loop. Such structure appears to be very fragile. Surprisingly, computer simulations indicate otherwise. As the coordinating, charged residue is mutated to alanine, another, nearby charged residue takes its place, thus keeping the structure nearly intact. If this residue is also substituted by alanine a salt bridge involving two other, charged residues on the opposite sides of the loop keeps the loop in place. These adjustments are facilitated by high flexibility of the protein. Computational predictions have been confirmed experimentally, as both mutants retain full activity and overall structure. These results challenge our notions about what is required for protein activity and about the relationship between protein dynamics, stability and robustness. We hypothesize that small, highly dynamic proteins could be both active and fault tolerant in ways that many other proteins are not, i.e. they can adjust to retain their structure and activity even if subjected to mutations in structurally critical regions. This opens the doors for designing proteins with novel functions, structures and dynamics that have not been yet considered.

Dynamical community structure of populations evolving on genotype networks

International Nuclear Information System (INIS)

Capitán, José A.; Aguirre, Jacobo; Manrubia, Susanna

2015-01-01

Neutral evolutionary dynamics of replicators occurs on large and heterogeneous networks of genotypes. These networks, formed by all genotypes that yield the same phenotype, have a complex architecture that conditions the molecular composition of populations and their movements on genome spaces. Here we consider as an example the case of populations evolving on RNA secondary structure neutral networks and study the community structure of the network revealed through dynamical properties of the population at equilibrium and during adaptive transients. We unveil a rich hierarchical community structure that, eventually, can be traced back to the non-trivial relationship between RNA secondary structure and sequence composition. We demonstrate that usual measures of modularity that only take into account the static, topological structure of networks, cannot identify the community structure disclosed by population dynamics

An analytical model of stand dynamics as a function of tree growth, mortality and recruitment: the shade tolerance-stand structure hypothesis revisited.

Science.gov (United States)

Zavala, Miguel A; Angulo, Oscar; Bravo de la Parra, Rafael; López-Marcos, Juan C

2007-02-07

Light competition and interspecific differences in shade tolerance are considered key determinants of forest stand structure and dynamics. Specifically two main stand diameter distribution types as a function of shade tolerance have been proposed based on empirical observations. All-aged stands of shade tolerant species tend to have steeply descending, monotonic diameter distributions (inverse J-shaped curves). Shade intolerant species in contrast typically exhibit normal (unimodal) tree diameter distributions due to high mortality rates of smaller suppressed trees. In this study we explore the generality of this hypothesis which implies a causal relationship between light competition or shade tolerance and stand structure. For this purpose we formulate a partial differential equation system of stand dynamics as a function of individual tree growth, recruitment and mortality which allows us to explore possible individual-based mechanisms--e.g. light competition-underlying observed patterns of stand structure--e.g. unimodal or inverse J-shaped equilibrium diameter curves. We find that contrary to expectations interspecific differences in growth patterns can result alone in any of the two diameter distributions types observed in the field. In particular, slow growing species can present unimodal equilibrium curves even in the absence of light competition. Moreover, light competition and shade intolerance evaluated both at the tree growth and mortality stages did not have a significant impact on stand structure that tended to converge systematically towards an inverse J-shaped curves for most tree growth scenarios. Realistic transient stand dynamics for even aged stands of shade intolerant species (unimodal curves) were only obtained when recruitment was completely suppressed, providing further evidence on the critical role played by juvenile stages of tree development (e.g. the sampling stage) on final forest structure and composition. The results also point out the

Comparison of tree size structure and growth for partially harvested and even-aged hemlock-spruce stands in southeast Alaska

Science.gov (United States)

Robert L. Deal; Troy Heithecker; Eric K. Zenner

2010-01-01

The effects of partial cutting on tree size structure and stand growth were evaluated in 52 plots in 13 stands in southeast Alaska that were partially harvested 53 to 96 years ago and compared with 50-year-old even-aged stands that developed after clearcutting. The net basal-area growth was greater in the partially cut plots than in the uncut plots, and basal-area...

Handbook on dynamics of jointed structures.

Energy Technology Data Exchange (ETDEWEB)

Ames, Nicoli M.; Lauffer, James P.; Jew, Michael D.; Segalman, Daniel Joseph; Gregory, Danny Lynn; Starr, Michael James; Resor, Brian Ray

2009-07-01

The problem of understanding and modeling the complicated physics underlying the action and response of the interfaces in typical structures under dynamic loading conditions has occupied researchers for many decades. This handbook presents an integrated approach to the goal of dynamic modeling of typical jointed structures, beginning with a mathematical assessment of experimental or simulation data, development of constitutive models to account for load histories to deformation, establishment of kinematic models coupling to the continuum models, and application of finite element analysis leading to dynamic structural simulation. In addition, formulations are discussed to mitigate the very short simulation time steps that appear to be required in numerical simulation for problems such as this. This handbook satisfies the commitment to DOE that Sandia will develop the technical content and write a Joints Handbook. The content will include: (1) Methods for characterizing the nonlinear stiffness and energy dissipation for typical joints used in mechanical systems and components. (2) The methodology will include practical guidance on experiments, and reduced order models that can be used to characterize joint behavior. (3) Examples for typical bolted and screw joints will be provided.

Dynamics of Quantum Causal Structures

Science.gov (United States)

Castro-Ruiz, Esteban; Giacomini, Flaminia; Brukner, Časlav

2018-01-01

It was recently suggested that causal structures are both dynamical, because of general relativity, and indefinite, because of quantum theory. The process matrix formalism furnishes a framework for quantum mechanics on indefinite causal structures, where the order between operations of local laboratories is not definite (e.g., one cannot say whether operation in laboratory A occurs before or after operation in laboratory B ). Here, we develop a framework for "dynamics of causal structures," i.e., for transformations of process matrices into process matrices. We show that, under continuous and reversible transformations, the causal order between operations is always preserved. However, the causal order between a subset of operations can be changed under continuous yet nonreversible transformations. An explicit example is that of the quantum switch, where a party in the past affects the causal order of operations of future parties, leading to a transition from a channel from A to B , via superposition of causal orders, to a channel from B to A . We generalize our framework to construct a hierarchy of quantum maps based on transformations of process matrices and transformations thereof.

The equilibrium structures of the 900 partial dislocation in silicon

International Nuclear Information System (INIS)

Valladares, Alexander; Sutton, A P

2005-01-01

We consider the free energies of the single-period (SP) and double-period (DP) core reconstructions of the straight 90 0 partial dislocation in silicon. The vibrational contributions are calculated with a harmonic model. It is found that it leads to a diminishing difference between the free energies of the two core reconstructions with increasing temperature. The question of the relative populations of SP and DP reconstructions in a single straight 90 0 partial dislocation is solved by mapping the problem onto a one-dimensional Ising model in a magnetic field. The model contains only two parameters and is solved analytically. It leads to the conclusion that for the majority of the published energy differences between the SP and DP reconstructions the equilibrium core structure is dominated by the DP reconstruction at all temperatures up to the melting point. We review whether it is possible to distinguish between the SP and DP reconstructions experimentally, both in principle and in practice. We conclude that aberration corrected transmission electron microscopy should be able to distinguish between these two core reconstructions, but published high resolution micrographs do not allow the distinction to be made

International Conference on Structural Nonlinear Dynamics and Diagnosis

CERN Document Server

CSNDD 2012; CSNDD 2014

2015-01-01

This book, which presents the peer-reviewed post-proceedings of CSNDD 2012 and CSNDD 2014, addresses the important role that relevant concepts and tools from nonlinear and complex dynamics could play in present and future engineering applications. It includes 22 chapters contributed by outstanding researchers and covering various aspects of applications, including: structural health monitoring, diagnosis and damage detection, experimental methodologies, active vibration control and smart structures, passive control of structures using nonlinear energy sinks, vibro-impact dynamic MEMS/NEMS/AFM, energy-harvesting materials and structures, and time-delayed feedback control, as well as aspects of deterministic versus stochastic dynamics and control of nonlinear phenomena in physics.  Researchers and engineers interested in the challenges posed and opportunities offered by nonlinearities in the development of passive and active control strategies, energy harvesting, novel design criteria, modeling and characteriz...

Equivalent construction of the infinitesimal time translation operator in algebraic dynamics algorithm for partial differential evolution equation

Institute of Scientific and Technical Information of China (English)

无

2010-01-01

We give an equivalent construction of the infinitesimal time translation operator for partial differential evolution equation in the algebraic dynamics algorithm proposed by Shun-Jin Wang and his students. Our construction involves only simple partial differentials and avoids the derivative terms of δ function which appear in the course of computation by means of Wang-Zhang operator. We prove Wang’s equivalent theorem which says that our construction and Wang-Zhang’s are equivalent. We use our construction to deal with several typical equations such as nonlinear advection equation, Burgers equation, nonlinear Schrodinger equation, KdV equation and sine-Gordon equation, and obtain at least second order approximate solutions to them. These equations include the cases of real and complex field variables and the cases of the first and the second order time derivatives.

Static and Dynamic Membrane Structures

Directory of Open Access Journals (Sweden)

Sergiu Ivanov

2012-10-01

Full Text Available While originally P systems were defined to contain multiset rewriting rules, it turned out that considering different types of rules may produce important results, such as increasing the computational power of the rules. This paper focuses on factoring out the concept of a membrane structure out of various P system models with the goal of providing useful formalisations. Both static and dynamic membrane structures are considered.

Partially composite Higgs models

DEFF Research Database (Denmark)

Alanne, Tommi; Buarque Franzosi, Diogo; Frandsen, Mads T.

2018-01-01

We study the phenomenology of partially composite-Higgs models where electroweak symmetry breaking is dynamically induced, and the Higgs is a mixture of a composite and an elementary state. The models considered have explicit realizations in terms of gauge-Yukawa theories with new strongly...... interacting fermions coupled to elementary scalars and allow for a very SM-like Higgs state. We study constraints on their parameter spaces from vacuum stability and perturbativity as well as from LHC results and find that requiring vacuum stability up to the compositeness scale already imposes relevant...... constraints. A small part of parameter space around the classically conformal limit is stable up to the Planck scale. This is however already strongly disfavored by LHC results. in different limits, the models realize both (partially) composite-Higgs and (bosonic) technicolor models and a dynamical extension...

POSTER : Identifying dynamic data structures in Malware

NARCIS (Netherlands)

Rupprecht, Thomas; Chen, Xi; White, David H.; Mühlberg, Jan Tobias; Bos, Herbert; Lüttgen, Gerald

2016-01-01

As the complexity of malware grows, so does the necessity of employing program structuring mechanisms during development. While control ow structuring is often obfuscated, the dynamic data structures employed by the program are typically untouched. We report on work in progress that exploits this

In situ structure and dynamics of DNA origami determined through molecular dynamics simulations.

Science.gov (United States)

Yoo, Jejoong; Aksimentiev, Aleksei

2013-12-10

The DNA origami method permits folding of long single-stranded DNA into complex 3D structures with subnanometer precision. Transmission electron microscopy, atomic force microscopy, and recently cryo-EM tomography have been used to characterize the properties of such DNA origami objects, however their microscopic structures and dynamics have remained unknown. Here, we report the results of all-atom molecular dynamics simulations that characterized the structural and mechanical properties of DNA origami objects in unprecedented microscopic detail. When simulated in an aqueous environment, the structures of DNA origami objects depart from their idealized targets as a result of steric, electrostatic, and solvent-mediated forces. Whereas the global structural features of such relaxed conformations conform to the target designs, local deformations are abundant and vary in magnitude along the structures. In contrast to their free-solution conformation, the Holliday junctions in the DNA origami structures adopt a left-handed antiparallel conformation. We find the DNA origami structures undergo considerable temporal fluctuations on both local and global scales. Analysis of such structural fluctuations reveals the local mechanical properties of the DNA origami objects. The lattice type of the structures considerably affects global mechanical properties such as bending rigidity. Our study demonstrates the potential of all-atom molecular dynamics simulations to play a considerable role in future development of the DNA origami field by providing accurate, quantitative assessment of local and global structural and mechanical properties of DNA origami objects.

Structural dynamic modifications via models

Indian Academy of Sciences (India)

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

Reduced-order modelling of parameter-dependent, linear and nonlinear dynamic partial differential equation models.

Science.gov (United States)

Shah, A A; Xing, W W; Triantafyllidis, V

2017-04-01

In this paper, we develop reduced-order models for dynamic, parameter-dependent, linear and nonlinear partial differential equations using proper orthogonal decomposition (POD). The main challenges are to accurately and efficiently approximate the POD bases for new parameter values and, in the case of nonlinear problems, to efficiently handle the nonlinear terms. We use a Bayesian nonlinear regression approach to learn the snapshots of the solutions and the nonlinearities for new parameter values. Computational efficiency is ensured by using manifold learning to perform the emulation in a low-dimensional space. The accuracy of the method is demonstrated on a linear and a nonlinear example, with comparisons with a global basis approach.

Polarity, cell division, and out-of-equilibrium dynamics control the growth of epithelial structures

Science.gov (United States)

Cerruti, Benedetta; Puliafito, Alberto; Shewan, Annette M.; Yu, Wei; Combes, Alexander N.; Little, Melissa H.; Chianale, Federica; Primo, Luca; Serini, Guido; Mostov, Keith E.; Celani, Antonio

2013-01-01

The growth of a well-formed epithelial structure is governed by mechanical constraints, cellular apico-basal polarity, and spatially controlled cell division. Here we compared the predictions of a mathematical model of epithelial growth with the morphological analysis of 3D epithelial structures. In both in vitro cyst models and in developing epithelial structures in vivo, epithelial growth could take place close to or far from mechanical equilibrium, and was determined by the hierarchy of time-scales of cell division, cell–cell rearrangements, and lumen dynamics. Equilibrium properties could be inferred by the analysis of cell–cell contact topologies, and the nonequilibrium phenotype was altered by inhibiting ROCK activity. The occurrence of an aberrant multilumen phenotype was linked to fast nonequilibrium growth, even when geometric control of cell division was correctly enforced. We predicted and verified experimentally that slowing down cell division partially rescued a multilumen phenotype induced by altered polarity. These results improve our understanding of the development of epithelial organs and, ultimately, of carcinogenesis. PMID:24145168

Coupled problems in transient fluid and structural dynamics in nuclear engineering

International Nuclear Information System (INIS)

Krieg, R.

1978-01-01

Some important problems in coupled fluid-structural dynamics which occur in safety investigations of liquid metal fast breeder reactors (LMFBR). light water reactors and nuclear reprocessing plants are discussed and a classification of solution methods is introduced. A distinction is made between the step by step solution procedure, where available computer codes in fluid and structural dynamics are coupled, and advanced simultaneous solution methods, where the coupling is carried out at the level of the fundamental equations. Results presented include the transient deformation of a two-row pin bundle surrounded by an infinite fluid field, vapour explosions in a fluid container and containment distortions due to bubble collapse in the pressure suppression system of a boiling water reactor. A recently developed simultaneous solution method is presented in detail. Here the fluid dynamics (inviscid, incompressible fluid) is described by a singularity method which reduces the three-dimensional fluid dynamics problems to a two-dimensional formulation. In this way the three-dynamics fluid dynamics as well as the structural (shell) dynamics can be described essentially by common unknowns at the fluid-structural interface. The resulting equations for the coupled fluid-structural dynamics are analogous to to the equations of motion of the structural dynamics alone. (author)

Theoretical study of the partial molar volume change associated with the pressure-induced structural transition of ubiquitin.

Science.gov (United States)

Imai, Takashi; Ohyama, Shusaku; Kovalenko, Andriy; Hirata, Fumio

2007-09-01

The partial molar volume (PMV) change associated with the pressure-induced structural transition of ubiquitin is analyzed by the three-dimensional reference interaction site model (3D-RISM) theory of molecular solvation. The theory predicts that the PMV decreases upon the structural transition, which is consistent with the experimental observation. The volume decomposition analysis demonstrates that the PMV reduction is primarily caused by the decrease in the volume of structural voids in the protein, which is partially canceled by the volume expansion due to the hydration effects. It is found from further analysis that the PMV reduction is ascribed substantially to the penetration of water molecules into a specific part of the protein. Based on the thermodynamic relation, this result implies that the water penetration causes the pressure-induced structural transition. It supports the water penetration model of pressure denaturation of proteins proposed earlier.

Analysis of Nonlinear Dynamic Structures

African Journals Online (AJOL)

Bheema

work a two degrees of freedom nonlinear system with zero memory was ... FRF is the most widely used method in structural dynamics which gives information about the ..... 3.6, which is the waterfall diagram of the same response, as well.

Dynamics and control of twisting bi-stable structures

Science.gov (United States)

Arrieta, Andres F.; van Gemmeren, Valentin; Anderson, Aaron J.; Weaver, Paul M.

2018-02-01

Compliance-based morphing structures have the potential to offer large shape adaptation, high stiffness and low weight, while reducing complexity, friction, and scalability problems of mechanism based systems. A promising class of structure that enables these characteristics are multi-stable structures given their ability to exhibit large deflections and rotations without the expensive need for continuous actuation, with the latter only required intermittently. Furthermore, multi-stable structures exhibit inherently fast response due to the snap-through instability governing changes between stable states, enabling rapid configuration switching between the discrete number of programmed shapes of the structure. In this paper, the design and utilisation of the inherent nonlinear dynamics of bi-stable twisting I-beam structures for actuation with low strain piezoelectric materials is presented. The I-beam structure consists of three compliant components assembled into a monolithic single element, free of moving parts, and showing large deflections between two stable states. Finite element analysis is utilised to uncover the distribution of strain across the width of the flange, guiding the choice of positioning for piezoelectric actuators. In addition, the actuation authority is maximised by calculating the generalised coupling coefficient for different positions of the piezoelectric actuators. The results obtained are employed to tailor and test I-beam designs exhibiting desired large deflection between stable states, while still enabling the activation of snap-through with the low strain piezoelectric actuators. To this end, the dynamic response of the I-beams to piezoelectric excitation is investigated, revealing that resonant excitations are insufficient to dynamically trigger snap-through. A novel bang-bang control strategy, which exploits the nonlinear dynamics of the structure successfully triggers both single and constant snap-through between the stable states

A Controller for Dynamic Partial Reconfiguration in FPGA-Based Real-Time Systems

DEFF Research Database (Denmark)

Pezzarossa, Luca; Schoeberl, Martin; Sparsø, Jens

2017-01-01

-source DPR controller specially developed for hard real-time systems and prototyped in connection with the open-source multi-core platform for real-time applications T-CREST. The controller enables a processor to perform reconfiguration in a time-predictable manner and supports different operating modes......In real-time systems, the use of hardware accelerators can lead to a worst-case execution-time speed-up, to a simplification of its analysis, and to a reduction of its pessimism. When using FPGA technology, dynamic partial reconfiguration (DPR) can be used to minimize the area, by only loading....... The paper also presents a software tool for bitstream conversion, compression, and for reconfiguration time analysis. The DPR controller is evaluated in terms of hardware cost, operating frequency, speed, and bitstream compression ratio vs. reconfiguration time trade-off. A simple application example...

Partial differential equations for self-organization in cellular and developmental biology

International Nuclear Information System (INIS)

Baker, R E; Gaffney, E A; Maini, P K

2008-01-01

Understanding the mechanisms governing and regulating the emergence of structure and heterogeneity within cellular systems, such as the developing embryo, represents a multiscale challenge typifying current integrative biology research, namely, explaining the macroscale behaviour of a system from microscale dynamics. This review will focus upon modelling how cell-based dynamics orchestrate the emergence of higher level structure. After surveying representative biological examples and the models used to describe them, we will assess how developments at the scale of molecular biology have impacted on current theoretical frameworks, and the new modelling opportunities that are emerging as a result. We shall restrict our survey of mathematical approaches to partial differential equations and the tools required for their analysis. We will discuss the gap between the modelling abstraction and biological reality, the challenges this presents and highlight some open problems in the field. (invited article)

Structural dynamics of electronic and photonic systems

CERN Document Server

Suhir, Ephraim; Steinberg, David S

2011-01-01

The proposed book will offer comprehensive and versatile methodologies and recommendations on how to determine dynamic characteristics of typical micro- and opto-electronic structural elements (printed circuit boards, solder joints, heavy devices, etc.) and how to design a viable and reliable structure that would be able to withstand high-level dynamic loading. Particular attention will be given to portable devices and systems designed for operation in harsh environments (such as automotive, aerospace, military, etc.)  In-depth discussion from a mechanical engineer's viewpoint will be conducte

Modeling and identification in structural dynamics

OpenAIRE

Jayakumar, Paramsothy

1987-01-01

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

Electron irradiation effects on partially fluorinated polymer films: Structure-property relationships

CERN Document Server

Nasef, M M

2003-01-01

The effects of electron beam irradiation on two partially fluorinated polymer films i.e. poly(vinylidene fluoride) (PVDF) and poly(ethylene-tetrafluoroethylene) copolymer (ETFE) are studied at doses ranging from 100 to 1200 kGy in air at room temperature. Chemical structure, thermal and mechanical properties of irradiated films are investigated. FTIR show that both PVDF and ETFE films undergo similar changes in their chemical structures including the formation of carbonyl groups and double bonding. The changes in melting and crystallisation temperatures (T sub m and T sub c) in both irradiated films are functions of irradiation dose and reflect the disorder in the chemical structure caused by the competition between crosslinking and chain scission. The heat of melting (DELTA H sub m) and the degree of crystallinity (X sub c) of PVDF films show no significant changes with the dose increase, whereas those of ETFE films are reduced rapidly after the first 100 kGy. The tensile strength of PVDF films is improved b...

The influence of anisotropy on the core structure of Shockley partial dislocations within FCC materials

Science.gov (United States)

Szajewski, B. A.; Hunter, A.; Luscher, D. J.; Beyerlein, I. J.

2018-01-01

Both theoretical and numerical models of dislocations often necessitate the assumption of elastic isotropy to retain analytical tractability in addition to reducing computational load. As dislocation based models evolve towards physically realistic material descriptions, the assumption of elastic isotropy becomes increasingly worthy of examination. We present an analytical dislocation model for calculating the full dissociated core structure of dislocations within anisotropic face centered cubic (FCC) crystals as a function of the degree of material elastic anisotropy, two misfit energy densities on the γ-surface ({γ }{{isf}}, {γ }{{usf}}) and the remaining elastic constants. Our solution is independent of any additional features of the γ-surface. Towards this pursuit, we first demonstrate that the dependence of the anisotropic elasticity tensor on the orientation of the dislocation line within the FCC crystalline lattice is small and may be reasonably neglected for typical materials. With this approximation, explicit analytic solutions for the anisotropic elasticity tensor {B} for both nominally edge and screw dislocations within an FCC crystalline lattice are devised, and employed towards defining a set of effective isotropic elastic constants which reproduce fully anisotropic results, however do not retain the bulk modulus. Conversely, Hill averaged elastic constants which both retain the bulk modulus and reasonably approximate the dislocation core structure are employed within subsequent numerical calculations. We examine a wide range of materials within this study, and the features of each partial dislocation core are sufficiently localized that application of discrete linear elasticity accurately describes the separation of each partial dislocation core. In addition, the local features (the partial dislocation core distribution) are well described by a Peierls-Nabarro dislocation model. We develop a model for the displacement profile which depends upon

Structure and Dynamics of Hydroxyl-Functionalized Protic Ammonium Carboxylate Ionic Liquids.

Science.gov (United States)

Thummuru, Dhileep Nagi Reddy; Mallik, Bhabani S

2017-10-26

We performed classical molecular dynamics simulations to investigate the structure and dynamics of protic ionic liquids, 2-hydroxy ethylammonium acetate, ethylammonium hydroxyacetate, and 2-hydroxyethylammonium hydroxyacetate at ambient conditions. Structural properties such as density, radial distribution functions, spatial distribution functions, and structure factors have been calculated. Dynamic properties such as mean square displacements, as well as residence and hydrogen bond dynamics have also been calculated. Hydrogen bond lifetimes and residence times change with the addition of hydroxyl groups. We observe that when a hydroxyl group is present on the cation, dynamics become very slow and it forms a strong hydrogen bond with carboxylate oxygen atoms of the anion. The hydroxyl functionalized ILs show more dynamic diversity than structurally similar ILs.

Mutations in actin used for structural studies partially disrupt β-thymosin/WH2 domains interaction.

Science.gov (United States)

Deville, Célia; Girard-Blanc, Christine; Assrir, Nadine; Nhiri, Naïma; Jacquet, Eric; Bontems, François; Renault, Louis; Petres, Stéphane; van Heijenoort, Carine

2016-10-01

Understanding the structural basis of actin cytoskeleton remodeling requires stabilization of actin monomers, oligomers, and filaments in complex with partner proteins, using various biochemical strategies. Here, we report a dramatic destabilization of the dynamic interaction with a model β-thymosin/WH2 domain induced by mutations in actin. This result underlines that mutant actins should be used with prudence to characterize interactions with intrinsically disordered partners as destabilization of dynamic interactions, although identifiable by NMR, may be invisible to other structural techniques. It also highlights how both β-thymosin/WH2 domains and actin tune local structure and dynamics in regulatory processes involving intrinsically disordered domains. © 2016 Federation of European Biochemical Societies.

Dynamics and structure of stretched flames

Energy Technology Data Exchange (ETDEWEB)

Law, C.K. [Princeton Univ., NJ (United States)

1993-12-01

This program aims to gain fundamental understanding on the structure, geometry, and dynamics of laminar premixed flames, and relate these understanding to the practical issues of flame extinction and stabilization. The underlying fundamental interest here is the recent recognition that the response of premixed flames can be profoundly affected by flame stretch, as manifested by flow nonuniformity, flame curvature, and flame/flow unsteadiness. As such, many of the existing understanding on the behavior of premixed flames need to be qualitatively revised. The research program consists of three major thrusts: (1) detailed experimental and computational mapping of the structure of aerodynamically-strained planar flames, with emphasis on the effects of heat loss, nonequidiffusion, and finite residence time on the flame thickness, extent of incomplete reaction, and the state of extinction. (2) Analytical study of the geometry and dynamics of stretch-affected wrinkled flame sheets in simple configurations, as exemplified by the Bunsen flame and the spatially-periodic flame, with emphasis on the effects of nonlinear stretch, the phenomena of flame cusping, smoothing, and tip opening, and their implications on the structure and burning rate of turbulent flames. (3) Stabilization and blowoff of two-dimensional inverted premixed and stabilization and determining the criteria governing flame blowoff. The research is synergistically conducted through the use of laser-based diagnostics, computational simulation of the flame structure with detailed chemistry and transport, and mathematical analysis of the flame dynamics.

Dynamical structure of space and time

International Nuclear Information System (INIS)

Sannikov-Proskuryakov, S.S.

2000-01-01

A mathematically correct solution of the problem of ultraviolet divergences requires a radical change of our ideas on space and matter. We show that the space is a discontinuum in small which is the carrier of a new dynamical structure. Taking into account this structure, a new theory of elementary particles can be suggested

PDB2CD visualises dynamics within protein structures.

Science.gov (United States)

Janes, Robert W

2017-10-01

Proteins tend to have defined conformations, a key factor in enabling their function. Atomic resolution structures of proteins are predominantly obtained by either solution nuclear magnetic resonance (NMR) or crystal structure methods. However, when considering a protein whose structure has been determined by both these approaches, on many occasions, the resultant conformations are subtly different, as illustrated by the examples in this study. The solution NMR approach invariably results in a cluster of structures whose conformations satisfy the distance boundaries imposed by the data collected; it might be argued that this is evidence of the dynamics of proteins when in solution. In crystal structures, the proteins are often in an energy minimum state which can result in an increase in the extent of regular secondary structure present relative to the solution state depicted by NMR, because the more dynamic ends of alpha helices and beta strands can become ordered at the lower temperatures. This study examines a novel way to display the differences in conformations within an NMR ensemble and between these and a crystal structure of a protein. Circular dichroism (CD) spectroscopy can be used to characterise protein structures in solution. Using the new bioinformatics tool, PDB2CD, which generates CD spectra from atomic resolution protein structures, the differences between, and possible dynamic range of, conformations adopted by a protein can be visualised.

Dynamic structural disorder in supported nanoscale catalysts

International Nuclear Information System (INIS)

Rehr, J. J.; Vila, F. D.

2014-01-01

We investigate the origin and physical effects of “dynamic structural disorder” (DSD) in supported nano-scale catalysts. DSD refers to the intrinsic fluctuating, inhomogeneous structure of such nano-scale systems. In contrast to bulk materials, nano-scale systems exhibit substantial fluctuations in structure, charge, temperature, and other quantities, as well as large surface effects. The DSD is driven largely by the stochastic librational motion of the center of mass and fluxional bonding at the nanoparticle surface due to thermal coupling with the substrate. Our approach for calculating and understanding DSD is based on a combination of real-time density functional theory/molecular dynamics simulations, transient coupled-oscillator models, and statistical mechanics. This approach treats thermal and dynamic effects over multiple time-scales, and includes bond-stretching and -bending vibrations, and transient tethering to the substrate at longer ps time-scales. Potential effects on the catalytic properties of these clusters are briefly explored. Model calculations of molecule-cluster interactions and molecular dissociation reaction paths are presented in which the reactant molecules are adsorbed on the surface of dynamically sampled clusters. This model suggests that DSD can affect both the prefactors and distribution of energy barriers in reaction rates, and thus can significantly affect catalytic activity at the nano-scale

Dynamic structural disorder in supported nanoscale catalysts

Energy Technology Data Exchange (ETDEWEB)

Rehr, J. J.; Vila, F. D. [Department of Physics, University of Washington, Seattle, Washington 98195 (United States)

2014-04-07

We investigate the origin and physical effects of “dynamic structural disorder” (DSD) in supported nano-scale catalysts. DSD refers to the intrinsic fluctuating, inhomogeneous structure of such nano-scale systems. In contrast to bulk materials, nano-scale systems exhibit substantial fluctuations in structure, charge, temperature, and other quantities, as well as large surface effects. The DSD is driven largely by the stochastic librational motion of the center of mass and fluxional bonding at the nanoparticle surface due to thermal coupling with the substrate. Our approach for calculating and understanding DSD is based on a combination of real-time density functional theory/molecular dynamics simulations, transient coupled-oscillator models, and statistical mechanics. This approach treats thermal and dynamic effects over multiple time-scales, and includes bond-stretching and -bending vibrations, and transient tethering to the substrate at longer ps time-scales. Potential effects on the catalytic properties of these clusters are briefly explored. Model calculations of molecule-cluster interactions and molecular dissociation reaction paths are presented in which the reactant molecules are adsorbed on the surface of dynamically sampled clusters. This model suggests that DSD can affect both the prefactors and distribution of energy barriers in reaction rates, and thus can significantly affect catalytic activity at the nano-scale.

Full scale dynamic testing of Kozloduy NPP unit 5 structures

International Nuclear Information System (INIS)

Da Rin, E.M.

1999-01-01

As described in this report, the Kozloduy NPP western site has been subjected to low level earthquake-like ground shaking - through appropriately devised underground explosions - and the resulting dynamic response of the NPP reactor Unit 5 important structures appropriately measured and digitally recorded. In-situ free-field response was measured concurrently more than 100 m aside the main structures of interest. The collected experimental data provide reference information on the actual dynamic characteristics of the Kozloduy NPPs main structures, as well as give some useful indications on the dynamic soil-structure interaction effects for the case of low level excitation. Performing the present full-scale dynamic structural testing activities took advantage of the experience gained by ISMES during similar tests, lately performed in Italy and abroad (in particular, at the Paks NPP in 1994). The IAEA promoted dynamic testing of the Kozloduy NPP Unit 5 by means of pertinently designed buried explosion-induced ground motions which has provided a large amount of data on the dynamic structural response of its major structures. In the present report, the conducted investigation is described and the acquired digital data presented. A series of preliminary analyses were undertaken for examining in detail the ground excitation levels that were produced by these weak earthquake simulation experiments, as well as for inferring some structural characteristics and behaviour information from the collected data. These analyses ascertained the high quality of the collected digital data. Presumably due to soil-structure dynamic interaction effects, reduced excitation levels were observed at the reactor building foundation raft level with respect to the concurrent free-field ground motions. measured at a 140 m distance from the reactor building centre. Further more detailed and systematic analyses are worthwhile to be performed for extracting more complete information about the

Dynamics of Quantum Causal Structures

Directory of Open Access Journals (Sweden)

Esteban Castro-Ruiz

2018-03-01

Full Text Available It was recently suggested that causal structures are both dynamical, because of general relativity, and indefinite, because of quantum theory. The process matrix formalism furnishes a framework for quantum mechanics on indefinite causal structures, where the order between operations of local laboratories is not definite (e.g., one cannot say whether operation in laboratory A occurs before or after operation in laboratory B. Here, we develop a framework for “dynamics of causal structures,” i.e., for transformations of process matrices into process matrices. We show that, under continuous and reversible transformations, the causal order between operations is always preserved. However, the causal order between a subset of operations can be changed under continuous yet nonreversible transformations. An explicit example is that of the quantum switch, where a party in the past affects the causal order of operations of future parties, leading to a transition from a channel from A to B, via superposition of causal orders, to a channel from B to A. We generalize our framework to construct a hierarchy of quantum maps based on transformations of process matrices and transformations thereof.

Structure and dynamics of aqueous solution of uranyl ions

International Nuclear Information System (INIS)

Chopra, Manish; Choudhury, Niharendu

2014-01-01

The present work describes a molecular dynamics simulation study of structure and dynamics of aqueous solution of uranyl ions in water. Structural properties of the system in terms of radial distribution functions and dynamical characteristics as obtained through velocity autocorrelation function and mean square displacements have been analyzed. The results for radial distribution functions show the oxygen of water to form the first solvation shell at 2.4 Å around the uranium atom, whereas the hydrogen atoms of water are distributed around the uranium atom with the major peak at around 3.0 Å. Analyses of transport behaviors of ions and water through MSD indicates that the diffusion of the uranyl ion is much less as compared to that of the water molecules. It is also observed that the dynamical behavior of water molecules gets modified due to the presence of uranyl ion. The effect of increase in concentration of uranyl ions on the structure and dynamics of water molecules is also studied

4th International Conference on Structural Nonlinear Dynamics and Diagnosis

CERN Document Server

2018-01-01

This book presents contributions on the most active lines of recent advanced research in the field of nonlinear mechanics and physics selected from the 4th International Conference on Structural Nonlinear Dynamics and Diagnosis. It includes fifteen chapters by outstanding scientists, covering various aspects of applications, including road tanker dynamics and stability, simulation of abrasive wear, energy harvesting, modeling and analysis of flexoelectric nanoactuator, periodic Fermi–Pasta–Ulam problems, nonlinear stability in Hamiltonian systems, nonlinear dynamics of rotating composites, nonlinear vibrations of a shallow arch, extreme pulse dynamics in mode-locked lasers, localized structures in a photonic crystal fiber resonator, nonlinear stochastic dynamics, linearization of nonlinear resonances, treatment of a linear delay differential equation, and fractional nonlinear damping. It appeals to a wide range of experts in the field of structural nonlinear dynamics and offers researchers and engineers a...

semPLS: Structural Equation Modeling Using Partial Least Squares

Directory of Open Access Journals (Sweden)

Armin Monecke

2012-05-01

Full Text Available Structural equation models (SEM are very popular in many disciplines. The partial least squares (PLS approach to SEM offers an alternative to covariance-based SEM, which is especially suited for situations when data is not normally distributed. PLS path modelling is referred to as soft-modeling-technique with minimum demands regarding mea- surement scales, sample sizes and residual distributions. The semPLS package provides the capability to estimate PLS path models within the R programming environment. Different setups for the estimation of factor scores can be used. Furthermore it contains modular methods for computation of bootstrap confidence intervals, model parameters and several quality indices. Various plot functions help to evaluate the model. The well known mobile phone dataset from marketing research is used to demonstrate the features of the package.

Structures of glide-set 90 deg. partial dislocation cores in diamond cubic semiconductors

International Nuclear Information System (INIS)

Beckman, S.P.; Chrzan, D.C.

2003-01-01

Two core reconstructions of the 90 deg. partial dislocations in diamond cubic semiconductors, the so-called single- and double-period structures, are often found to be nearly degenerate in energy. This near degeneracy suggests the possibility that both core reconstructions may be present simultaneously along the same dislocation core, with the domain sizes of the competing reconstructions dependent on temperature and the local stress state. To explore this dependence, a simple statistical mechanics-based model of the dislocation core reconstructions is developed and analyzed. Predictions for the temperature-dependent structure of the dislocation core are presented

Hierarchical Cluster-based Partial Least Squares Regression (HC-PLSR is an efficient tool for metamodelling of nonlinear dynamic models

Directory of Open Access Journals (Sweden)

Omholt Stig W

2011-06-01

Full Text Available Abstract Background Deterministic dynamic models of complex biological systems contain a large number of parameters and state variables, related through nonlinear differential equations with various types of feedback. A metamodel of such a dynamic model is a statistical approximation model that maps variation in parameters and initial conditions (inputs to variation in features of the trajectories of the state variables (outputs throughout the entire biologically relevant input space. A sufficiently accurate mapping can be exploited both instrumentally and epistemically. Multivariate regression methodology is a commonly used approach for emulating dynamic models. However, when the input-output relations are highly nonlinear or non-monotone, a standard linear regression approach is prone to give suboptimal results. We therefore hypothesised that a more accurate mapping can be obtained by locally linear or locally polynomial regression. We present here a new method for local regression modelling, Hierarchical Cluster-based PLS regression (HC-PLSR, where fuzzy C-means clustering is used to separate the data set into parts according to the structure of the response surface. We compare the metamodelling performance of HC-PLSR with polynomial partial least squares regression (PLSR and ordinary least squares (OLS regression on various systems: six different gene regulatory network models with various types of feedback, a deterministic mathematical model of the mammalian circadian clock and a model of the mouse ventricular myocyte function. Results Our results indicate that multivariate regression is well suited for emulating dynamic models in systems biology. The hierarchical approach turned out to be superior to both polynomial PLSR and OLS regression in all three test cases. The advantage, in terms of explained variance and prediction accuracy, was largest in systems with highly nonlinear functional relationships and in systems with positive feedback

Hierarchical cluster-based partial least squares regression (HC-PLSR) is an efficient tool for metamodelling of nonlinear dynamic models.

Science.gov (United States)

Tøndel, Kristin; Indahl, Ulf G; Gjuvsland, Arne B; Vik, Jon Olav; Hunter, Peter; Omholt, Stig W; Martens, Harald

2011-06-01

Deterministic dynamic models of complex biological systems contain a large number of parameters and state variables, related through nonlinear differential equations with various types of feedback. A metamodel of such a dynamic model is a statistical approximation model that maps variation in parameters and initial conditions (inputs) to variation in features of the trajectories of the state variables (outputs) throughout the entire biologically relevant input space. A sufficiently accurate mapping can be exploited both instrumentally and epistemically. Multivariate regression methodology is a commonly used approach for emulating dynamic models. However, when the input-output relations are highly nonlinear or non-monotone, a standard linear regression approach is prone to give suboptimal results. We therefore hypothesised that a more accurate mapping can be obtained by locally linear or locally polynomial regression. We present here a new method for local regression modelling, Hierarchical Cluster-based PLS regression (HC-PLSR), where fuzzy C-means clustering is used to separate the data set into parts according to the structure of the response surface. We compare the metamodelling performance of HC-PLSR with polynomial partial least squares regression (PLSR) and ordinary least squares (OLS) regression on various systems: six different gene regulatory network models with various types of feedback, a deterministic mathematical model of the mammalian circadian clock and a model of the mouse ventricular myocyte function. Our results indicate that multivariate regression is well suited for emulating dynamic models in systems biology. The hierarchical approach turned out to be superior to both polynomial PLSR and OLS regression in all three test cases. The advantage, in terms of explained variance and prediction accuracy, was largest in systems with highly nonlinear functional relationships and in systems with positive feedback loops. HC-PLSR is a promising approach for

Structure and dynamics of photosynthetic proteins studied by neutron scattering and molecular dynamic simulation

International Nuclear Information System (INIS)

Dellerue, Serge

2000-01-01

Understand the structure-dynamics-function relation in the case of proteins is essential. But few experimental techniques allow to have access to knowledge of fast internal movements of biological macromolecules. With the neutron scattering method, it has been possible to study the reorientation dynamics of side chains and of polypeptide skeleton for two proteins in terms of water or detergent and of temperature. With the use of the molecular dynamics method, essential for completing and interpreting the experimental data, it has been possible to assess the different contributions of the whole structure of proteins to the overall dynamics. It has been shown that the polypeptide skeleton presents an energy relaxation comparable to those of the side chains. Moreover, it has been explained that the protein dynamics can only be understood in terms of relaxation time distribution. (author) [fr

Structural, dynamical, and electronic properties of amorphous silicon: An ab initio molecular dynamics study

Energy Technology Data Exchange (ETDEWEB)

Car, R.; Parrinello, M.

1988-01-18

An amorphous silicon structure is obtained with a computer simulation based on a new molecular-dynamics technique in which the interatomic potential is derived from a parameter-free quantum mechanical method. Our results for the atomic structure, the phonon spectrum, and the electronic properties are in excellent agreement with experiment. In addition we study details of the microscopic dynamics which are not directly accessible to experiment. We find in particular that structural defects are associated with weak bonds. These may give rise to low-frequency vibrational modes.

Full-scale dynamic structural testing of Paks nuclear power plant

International Nuclear Information System (INIS)

Da Rin, E.M.; Muzzi, F.P.

1995-01-01

Within the framework of the IAEA coordinated 'Benchmark Study for the seismic analysis and testing of WWER-type NPPs', in-situ dynamic structural testing activities have been performed at the Paks Nuclear Power Plant in Hungary. The specific objective of the investigation was to obtain experimental data on the actual dynamic structural behaviour of the plant's major constructions and equipment under normal operating conditions, for enabling a valid seismic safety review to be made. This paper gives a synthetic description of the conducted experiments and presents some results, regarding in particular the free-field excitations produced during the earthquake-simulation experiments and an experiment of the dynamic soil-structure interaction global effects at the base of the reactor containment structure. Moreover, a method which can be used for inferring dynamic structural characteristics from the recorded time-histories is briefly described and a simple illustrative example given. (author)

arXiv Minimal Fundamental Partial Compositeness

CERN Document Server

Cacciapaglia, Giacomo; Sannino, Francesco; Thomsen, Anders Eller

Building upon the fundamental partial compositeness framework we provide consistent and complete composite extensions of the standard model. These are used to determine the effective operators emerging at the electroweak scale in terms of the standard model fields upon consistently integrating out the heavy composite dynamics. We exhibit the first effective field theories matching these complete composite theories of flavour and analyse their physical consequences for the third generation quarks. Relations with other approaches, ranging from effective analyses for partial compositeness to extra dimensions as well as purely fermionic extensions, are briefly discussed. Our methodology is applicable to any composite theory of dynamical electroweak symmetry breaking featuring a complete theory of flavour.

Generalized geometry and partial supersymmetry breaking

Energy Technology Data Exchange (ETDEWEB)

Triendl, Hagen Mathias

2010-08-15

This thesis consists of two parts. In the first part we use the formalism of (exceptional) generalized geometry to derive the scalar field space of SU(2) x SU(2)-structure compactifications. We show that in contrast to SU(3) x SU(3) structures, there is no dynamical SU(2) x SU(2) structure interpolating between an SU(2) structure and an identity structure. Furthermore, we derive the scalar manifold of the low-energy effective action for consistent Kaluza-Klein truncations as expected from N = 4 supergravity. In the second part we then determine the general conditions for the existence of stable Minkowski and AdS N = 1 vacua in spontaneously broken gauged N = 2 supergravities and construct the general solution under the assumption that two appropriate commuting isometries exist in the hypermultiplet sector. Furthermore, we derive the low-energy effective action below the scale of partial supersymmetry breaking and show that it satisfies the constraints of N = 1 supergravity. We then apply the discussion to special quaternionic-Kaehler geometries which appear in the low-energy limit of SU(3) x SU(3)-structure compactifications and construct Killing vectors with the right properties. Finally we discuss the string theory realizations for these solutions. (orig.)

Generalized geometry and partial supersymmetry breaking

International Nuclear Information System (INIS)

Triendl, Hagen Mathias

2010-08-01

This thesis consists of two parts. In the first part we use the formalism of (exceptional) generalized geometry to derive the scalar field space of SU(2) x SU(2)-structure compactifications. We show that in contrast to SU(3) x SU(3) structures, there is no dynamical SU(2) x SU(2) structure interpolating between an SU(2) structure and an identity structure. Furthermore, we derive the scalar manifold of the low-energy effective action for consistent Kaluza-Klein truncations as expected from N = 4 supergravity. In the second part we then determine the general conditions for the existence of stable Minkowski and AdS N = 1 vacua in spontaneously broken gauged N = 2 supergravities and construct the general solution under the assumption that two appropriate commuting isometries exist in the hypermultiplet sector. Furthermore, we derive the low-energy effective action below the scale of partial supersymmetry breaking and show that it satisfies the constraints of N = 1 supergravity. We then apply the discussion to special quaternionic-Kaehler geometries which appear in the low-energy limit of SU(3) x SU(3)-structure compactifications and construct Killing vectors with the right properties. Finally we discuss the string theory realizations for these solutions. (orig.)

Characterization of network structure in stereoEEG data using consensus-based partial coherence.

Science.gov (United States)

Ter Wal, Marije; Cardellicchio, Pasquale; LoRusso, Giorgio; Pelliccia, Veronica; Avanzini, Pietro; Orban, Guy A; Tiesinga, Paul He

2018-06-06

Coherence is a widely used measure to determine the frequency-resolved functional connectivity between pairs of recording sites, but this measure is confounded by shared inputs to the pair. To remove shared inputs, the 'partial coherence' can be computed by conditioning the spectral matrices of the pair on all other recorded channels, which involves the calculation of a matrix (pseudo-) inverse. It has so far remained a challenge to use the time-resolved partial coherence to analyze intracranial recordings with a large number of recording sites. For instance, calculating the partial coherence using a pseudoinverse method produces a high number of false positives when it is applied to a large number of channels. To address this challenge, we developed a new method that randomly aggregated channels into a smaller number of effective channels on which the calculation of partial coherence was based. We obtained a 'consensus' partial coherence (cPCOH) by repeating this approach for several random aggregations of channels (permutations) and only accepting those activations in time and frequency with a high enough consensus. Using model data we show that the cPCOH method effectively filters out the effect of shared inputs and performs substantially better than the pseudo-inverse. We successfully applied the cPCOH procedure to human stereotactic EEG data and demonstrated three key advantages of this method relative to alternative procedures. First, it reduces the number of false positives relative to the pseudo-inverse method. Second, it allows for titration of the amount of false positives relative to the false negatives by adjusting the consensus threshold, thus allowing the data-analyst to prioritize one over the other to meet specific analysis demands. Third, it substantially reduced the number of identified interactions compared to coherence, providing a sparser network of connections from which clear spatial patterns emerged. These patterns can serve as a starting

Partial Synchronization Manifolds for Linearly Time-Delay Coupled Systems

OpenAIRE

Steur, Erik; van Leeuwen, Cees; Michiels, Wim

2014-01-01

Sometimes a network of dynamical systems shows a form of incomplete synchronization characterized by synchronization of some but not all of its systems. This type of incomplete synchronization is called partial synchronization. Partial synchronization is associated with the existence of partial synchronization manifolds, which are linear invariant subspaces of C, the state space of the network of systems. We focus on partial synchronization manifolds in networks of system...

Dynamics of bounded confidence opinion in heterogeneous social networks: Concord against partial antagonism

Science.gov (United States)

Kurmyshev, Evguenii; Juárez, Héctor A.; González-Silva, Ricardo A.

2011-08-01

Bounded confidence models of opinion dynamics in social networks have been actively studied in recent years, in particular, opinion formation and extremism propagation along with other aspects of social dynamics. In this work, after an analysis of limitations of the Deffuant-Weisbuch (DW) bounded confidence, relative agreement model, we propose the mixed model that takes into account two psychological types of individuals. Concord agents (C-agents) are friendly people; they interact in a way that their opinions always get closer. Agents of the other psychological type show partial antagonism in their interaction (PA-agents). Opinion dynamics in heterogeneous social groups, consisting of agents of the two types, was studied on different social networks: Erdös-Rényi random graphs, small-world networks and complete graphs. Limit cases of the mixed model, pure C- and PA-societies, were also studied. We found that group opinion formation is, qualitatively, almost independent of the topology of networks used in this work. Opinion fragmentation, polarization and consensus are observed in the mixed model at different proportions of PA- and C-agents, depending on the value of initial opinion tolerance of agents. As for the opinion formation and arising of “dissidents”, the opinion dynamics of the C-agents society was found to be similar to that of the DW model, except for the rate of opinion convergence. Nevertheless, mixed societies showed dynamics and bifurcation patterns notably different to those of the DW model. The influence of biased initial conditions over opinion formation in heterogeneous social groups was also studied versus the initial value of opinion uncertainty, varying the proportion of the PA- to C-agents. Bifurcation diagrams showed an impressive evolution of collective opinion, in particular, radical changes of left to right consensus or vice versa at an opinion uncertainty value equal to 0.7 in the model with the PA/C mixture of population near 50/50.

Dynamical topology and statistical properties of spatiotemporal chaos.

Science.gov (United States)

Zhuang, Quntao; Gao, Xun; Ouyang, Qi; Wang, Hongli

2012-12-01

For spatiotemporal chaos described by partial differential equations, there are generally locations where the dynamical variable achieves its local extremum or where the time partial derivative of the variable vanishes instantaneously. To a large extent, the location and movement of these topologically special points determine the qualitative structure of the disordered states. We analyze numerically statistical properties of the topologically special points in one-dimensional spatiotemporal chaos. The probability distribution functions for the number of point, the lifespan, and the distance covered during their lifetime are obtained from numerical simulations. Mathematically, we establish a probabilistic model to describe the dynamics of these topologically special points. In spite of the different definitions in different spatiotemporal chaos, the dynamics of these special points can be described in a uniform approach.

Structural dynamic analysis of turbine blade

Science.gov (United States)

Antony, A. Daniel; Gopalsamy, M.; Viswanadh, Chaparala B. V.; Krishnaraj, R.

2017-10-01

In any gas turbine design cycle, blade design is a crucial element which needs maximum attention to meet the aerodynamic performance, structural safety margins, manufacturing feasibility, material availability etc. In present day gas turbine engines, most of the failures occur during engine development test and in-service, in rotor and stator blades due to fatigue and resonance failures. To address this issue, an extensive structural dynamic analysis is carried out to predict the natural frequencies and mode shapes using FE methods. Using the dynamics characteristics, the Campbell diagram is constructed to study the possibility of resonance at various operating speeds. In this work, the feasibility of using composite material in place of titanium alloy from the structural dynamics point of view. This is being attempted in a Low-pressure compressor where the temperatures are relatively low and fixed with the casings. The analysis will be carried out using FE method for different composite material with different lamina orientations chosen through the survey. This study will focus on the sensitivity of blade mode shapes to different laminae orientations, which will be used to alter the natural frequency and tailor the mode shapes. Campbell diagrams of existing titanium alloy are compared with the composite materials with different laminae at all critical operating conditions. The existing manufacturing methods and the proven techniques for blade profiles will also be discussed in this report.

When structure affects function--the need for partial volume effect correction in functional and resting state magnetic resonance imaging studies.

Science.gov (United States)

Dukart, Juergen; Bertolino, Alessandro

2014-01-01

Both functional and also more recently resting state magnetic resonance imaging have become established tools to investigate functional brain networks. Most studies use these tools to compare different populations without controlling for potential differences in underlying brain structure which might affect the functional measurements of interest. Here, we adapt a simulation approach combined with evaluation of real resting state magnetic resonance imaging data to investigate the potential impact of partial volume effects on established functional and resting state magnetic resonance imaging analyses. We demonstrate that differences in the underlying structure lead to a significant increase in detected functional differences in both types of analyses. Largest increases in functional differences are observed for highest signal-to-noise ratios and when signal with the lowest amount of partial volume effects is compared to any other partial volume effect constellation. In real data, structural information explains about 25% of within-subject variance observed in degree centrality--an established resting state connectivity measurement. Controlling this measurement for structural information can substantially alter correlational maps obtained in group analyses. Our results question current approaches of evaluating these measurements in diseased population with known structural changes without controlling for potential differences in these measurements.

On the structure of dynamic principal component analysis used in statistical process monitoring

DEFF Research Database (Denmark)

Vanhatalo, Erik; Kulahci, Murat; Bergquist, Bjarne

2017-01-01

When principal component analysis (PCA) is used for statistical process monitoring it relies on the assumption that data are time independent. However, industrial data will often exhibit serial correlation. Dynamic PCA (DPCA) has been suggested as a remedy for high-dimensional and time...... for determining the number of principal components to retain. The number of retained principal components is determined by visual inspection of the serial correlation in the squared prediction error statistic, Q (SPE), together with the cumulative explained variance of the model. The methods are illustrated using...... driven method to determine the maximum number of lags in DPCA with a foundation in multivariate time series analysis. The method is based on the behavior of the eigenvalues of the lagged autocorrelation and partial autocorrelation matrices. Given a specific lag structure we also propose a method...

Partial differential equations for scientists and engineers

CERN Document Server

Farlow, Stanley J

1993-01-01

Most physical phenomena, whether in the domain of fluid dynamics, electricity, magnetism, mechanics, optics, or heat flow, can be described in general by partial differential equations. Indeed, such equations are crucial to mathematical physics. Although simplifications can be made that reduce these equations to ordinary differential equations, nevertheless the complete description of physical systems resides in the general area of partial differential equations.This highly useful text shows the reader how to formulate a partial differential equation from the physical problem (constructing th

The mitochondrial elongation factors MIEF1 and MIEF2 exert partially distinct functions in mitochondrial dynamics

Energy Technology Data Exchange (ETDEWEB)

Liu, Tong; Yu, Rong [Department of Oncology–Pathology, Karolinska Institutet, CCK R8:05, Karolinska University Hospital Solna, SE-171 76 Stockholm (Sweden); Jin, Shao-Bo [Department of Cell and Molecular Biology, Karolinska Institutet, SE-171 77 Stockholm (Sweden); Han, Liwei [Department of Oncology–Pathology, Karolinska Institutet, CCK R8:05, Karolinska University Hospital Solna, SE-171 76 Stockholm (Sweden); Lendahl, Urban [Department of Cell and Molecular Biology, Karolinska Institutet, SE-171 77 Stockholm (Sweden); Zhao, Jian, E-mail: Jian.Zhao@ki.se [Department of Oncology–Pathology, Karolinska Institutet, CCK R8:05, Karolinska University Hospital Solna, SE-171 76 Stockholm (Sweden); Nistér, Monica [Department of Oncology–Pathology, Karolinska Institutet, CCK R8:05, Karolinska University Hospital Solna, SE-171 76 Stockholm (Sweden)

2013-11-01

Mitochondria are dynamic organelles whose morphology is regulated by a complex balance of fission and fusion processes, and we still know relatively little about how mitochondrial dynamics is regulated. MIEF1 (also called MiD51) has recently been characterized as a key regulator of mitochondrial dynamics and in this report we explore the functions of its paralog MIEF2 (also called MiD49), to learn to what extent MIEF2 is functionally distinct from MIEF1. We show that MIEF1 and MIEF2 have many functions in common. Both are anchored in the mitochondrial outer membrane, recruit Drp1 from the cytoplasm to the mitochondrial surface and cause mitochondrial fusion, and MIEF2, like MIEF1, can interact with Drp1 and hFis1. MIEF1 and MIEF2, however, also differ in certain aspects. MIEF1 and MIEF2 are differentially expressed in human tissues during development. When overexpressed, MIEF2 exerts a stronger fusion-promoting effect than MIEF1, and in line with this, hFis1 and Mff can only partially revert the MIEF2-induced fusion phenotype, whereas MIEF1-induced fusion is reverted to a larger extent by hFis1 and Mff. MIEF2 forms high molecular weight oligomers, while MIEF1 is largely present as a dimer. Furthermore, MIEF1 and MIEF2 use distinct domains for oligomerization: in MIEF1, the region from amino acid residues 109–154 is required, whereas oligomerization of MIEF2 depends on amino acid residues 1 to 49, i.e. the N-terminal end. We also show that oligomerization of MIEF1 is not required for its mitochondrial localization and interaction with Drp1. In conclusion, our data suggest that the mitochondrial regulators MIEF1 and MIEF2 exert partially distinct functions in mitochondrial dynamics. - Highlights: • MIEF1 and MIEF2 recruit Drp1 to mitochondria and cause mitochondrial fusion. • MIEF2, like MIEF1, can interact with Drp1 and hFis1. • MIEF1 and MIEF2 are differentially expressed in human tissues during development. • MIEF2 exerts a stronger fusion

The mitochondrial elongation factors MIEF1 and MIEF2 exert partially distinct functions in mitochondrial dynamics

International Nuclear Information System (INIS)

Liu, Tong; Yu, Rong; Jin, Shao-Bo; Han, Liwei; Lendahl, Urban; Zhao, Jian; Nistér, Monica

2013-01-01

Mitochondria are dynamic organelles whose morphology is regulated by a complex balance of fission and fusion processes, and we still know relatively little about how mitochondrial dynamics is regulated. MIEF1 (also called MiD51) has recently been characterized as a key regulator of mitochondrial dynamics and in this report we explore the functions of its paralog MIEF2 (also called MiD49), to learn to what extent MIEF2 is functionally distinct from MIEF1. We show that MIEF1 and MIEF2 have many functions in common. Both are anchored in the mitochondrial outer membrane, recruit Drp1 from the cytoplasm to the mitochondrial surface and cause mitochondrial fusion, and MIEF2, like MIEF1, can interact with Drp1 and hFis1. MIEF1 and MIEF2, however, also differ in certain aspects. MIEF1 and MIEF2 are differentially expressed in human tissues during development. When overexpressed, MIEF2 exerts a stronger fusion-promoting effect than MIEF1, and in line with this, hFis1 and Mff can only partially revert the MIEF2-induced fusion phenotype, whereas MIEF1-induced fusion is reverted to a larger extent by hFis1 and Mff. MIEF2 forms high molecular weight oligomers, while MIEF1 is largely present as a dimer. Furthermore, MIEF1 and MIEF2 use distinct domains for oligomerization: in MIEF1, the region from amino acid residues 109–154 is required, whereas oligomerization of MIEF2 depends on amino acid residues 1 to 49, i.e. the N-terminal end. We also show that oligomerization of MIEF1 is not required for its mitochondrial localization and interaction with Drp1. In conclusion, our data suggest that the mitochondrial regulators MIEF1 and MIEF2 exert partially distinct functions in mitochondrial dynamics. - Highlights: • MIEF1 and MIEF2 recruit Drp1 to mitochondria and cause mitochondrial fusion. • MIEF2, like MIEF1, can interact with Drp1 and hFis1. • MIEF1 and MIEF2 are differentially expressed in human tissues during development. • MIEF2 exerts a stronger fusion

Dynamic testing of MFTF containment-vessel structural system

International Nuclear Information System (INIS)

Weaver, H.J.; McCallen, D.B.; Eli, M.W.

1982-01-01

Dynamic (modal) testing was performed on the Magnetic Fusion Test Facility (MFTF) containment vessel. The seismic design of this vessel was heavily dependent upon the value of structural damping used in the analysis. Typically for welded steel vessels, a value of 2 to 3% of critical is used. However, due to the large mass of the vessel and magnet supported inside, we felt that the interaction between the structure and its foundation would be enhanced. This would result in a larger value of damping because vibrational energy in the structure would be transferred through the foundation into the surrounding soil. The dynamic test performed on this structure (with the magnet in place) confirmed this later theory and resulted in damping values of approximately 4 to 5% for the whole body modes. This report presents a brief description of dynamic testing emphasizing the specific test procedure used on the MFTF-A system. It also presents an interpretation of the damping mechanisms observed (material and geometric) based upon the spatial characteristics of the modal parameters

Femtosecond structural dynamics on the atomic length scale

International Nuclear Information System (INIS)

Zhang, Dongfang

2014-03-01

their development. I performed the first study in our compact FED system. I studied the optical and structural response of alkali halides to intense UV excitation conditions, i.e. above the damage threshold of the samples which required the application of a single-shot scheme. In order to gain a better understanding of the ablation process that follows fs optical excitation in alkali halides, I applied a variety of different techniques. Optical reflectivity, femtosecond electron diffraction, ion detection and crater measurements revealed the existence of a cold ablation process that occurs well below the threshold for plasma formation and even that for the melting point of the salts. This atypical cold explosion owes to the presence of highly localized excitonic states and reflects the repulsive nature of initial electronic correlations at play. In the case of REGAE, we performed the first time-resolved experiment following the fs laser heating dynamics and partial melting of polycrystalline gold films. This experiment was crucial to test the overall synchronization of our REGAE machine. We were able to observe a clear dynamics under single-shot photo-excitation conditions and found time zero within 1 picosecond. Further electron pulse characterization will involve the implementation of ponderomotive scattering. I have already constructed the required modular setup and performed all preliminary ASTRA N-body simulations.

An approach of partial control design for system control and synchronization

International Nuclear Information System (INIS)

Hu Wuhua; Wang Jiang; Li Xiumin

2009-01-01

In this paper, a general approach of partial control design for system control and synchronization is proposed. It turns control problems into simpler ones by reducing their control variables. This is realized by utilizing the dynamical relations between variables, which are described by the dynamical relation matrix and the dependence-influence matrix. By adopting partial control theory, the presented approach provides a simple and general way to stabilize systems to their partial or whole equilibriums, or to synchronize systems with their partial or whole states. Further, based on this approach, the controllers can be simplified. Two examples of synchronizing chaotic systems are given to illustrate its effectiveness.

The dynamical conductance of graphene tunnelling structures

International Nuclear Information System (INIS)

Zhang Huan; Chan, K S; Lin Zijing

2011-01-01

The dynamical conductances of graphene tunnelling structures were numerically calculated using the scattering matrix method with the interaction effect included in a phenomenological approach. The overall single-barrier dynamical conductance is capacitative. Transmission resonances in the single-barrier structure lead to dips in the capacitative imaginary part of the response. This is different from the ac responses of typical semiconductor nanostructures, where transmission resonances usually lead to inductive peaks. The features of the dips depend on the Fermi energy. When the Fermi energy is below half of the barrier height, the dips are sharper. When the Fermi energy is higher than half of the barrier height, the dips are broader. Inductive behaviours can be observed in a double-barrier structure due to the resonances formed by reflection between the two barriers.

The dynamical conductance of graphene tunnelling structures.

Science.gov (United States)

Zhang, Huan; Chan, K S; Lin, Zijing

2011-12-16

The dynamical conductances of graphene tunnelling structures were numerically calculated using the scattering matrix method with the interaction effect included in a phenomenological approach. The overall single-barrier dynamical conductance is capacitative. Transmission resonances in the single-barrier structure lead to dips in the capacitative imaginary part of the response. This is different from the ac responses of typical semiconductor nanostructures, where transmission resonances usually lead to inductive peaks. The features of the dips depend on the Fermi energy. When the Fermi energy is below half of the barrier height, the dips are sharper. When the Fermi energy is higher than half of the barrier height, the dips are broader. Inductive behaviours can be observed in a double-barrier structure due to the resonances formed by reflection between the two barriers.

Bulk and interfacial structures of reline deep eutectic solvent: A molecular dynamics study.

Science.gov (United States)

Kaur, Supreet; Sharma, Shobha; Kashyap, Hemant K

2017-11-21

We apply all-atom molecular dynamics simulations to describe the bulk morphology and interfacial structure of reline, a deep eutectic solvent comprising choline chloride and urea in 1:2 molar ratio, near neutral and charged graphene electrodes. For the bulk phase structural investigation, we analyze the simulated real-space radial distribution functions, X-ray/neutron scattering structure functions, and their partial components. Our study shows that both hydrogen-bonding and long-range correlations between different constituents of reline play a crucial role to lay out the bulk structure of reline. Further, we examine the variation of number density profiles, orientational order parameters, and electrostatic potentials near the neutral and charged graphene electrodes with varying electrode charge density. The present study reveals the presence of profound structural layering of not only the ionic components of reline but also urea near the electrodes. In addition, depending on the electrode charge density, the choline ions and urea molecules render different orientations near the electrodes. The simulated number density and electrostatic potential profiles for reline clearly show the presence of multilayer structures up to a distance of 1.2 nm from the respective electrodes. The observation of positive values of the surface potential at zero charge indicates the presence of significant nonelectrostatic attraction between the choline cation and graphene electrode. The computed differential capacitance (C d ) for reline exhibits an asymmetric bell-shaped curve, signifying different variation of C d with positive and negative surface potentials.

Nonlinear analysis of fetal heart rate dynamics in fetuses compromised by asymptomatic partial placental abruption.

Science.gov (United States)

Choi, Won-Young; Hoh, Jeong-Kyu

2015-12-01

We analyzed fetal heart rate (FHR) parameters, dynamics, and outcomes in pregnancies with asymptomatic partial placental abruption (PPA) compared with those in normal pregnancies. We examined nonstress test (NST) data acquired from 2003 to 2012 at our institution. Normal pregnancies (N = 170) and PPA cases (N = 17) were matched for gestational age, fetal sex, and mean FHR. NSTs were performed at 33-42 weeks of gestation. FHR parameters obtained from the NST and perinatal outcomes were analyzed using linear methods. Nonlinear indices, including approximate entropy (ApEn), sample entropy (SampEn), short-term and long-term scaling exponents (α1 and α2), and correlation dimension (CD), were used to interpret FHR dynamics and system complexity. The area under a receiver operating characteristic curve (AUC) was used to evaluate the nonlinear indices. There were no significant differences in general characteristics and FHR parameters between the PPA and control groups. However, gestational age at delivery, birth weight, 5-min Apgar scores, ApEn, SampEn, and CD were significantly lower in the PPA group than in the control group (P Nonlinear dynamic indices of FHR in asymptomatic PPA were qualitatively different from those in normal pregnancies, whereas the conventional FHR parameters were not significantly different. Copyright © 2015 Elsevier Ltd. All rights reserved.

Distributed Consensus-Based Robust Adaptive Formation Control for Nonholonomic Mobile Robots with Partial Known Dynamics

Directory of Open Access Journals (Sweden)

Zhaoxia Peng

2014-01-01

Full Text Available This paper investigates the distributed consensus-based robust adaptive formation control for nonholonomic mobile robots with partially known dynamics. Firstly, multirobot formation control problem has been converted into a state consensus problem. Secondly, the practical control strategies, which incorporate the distributed kinematic controllers and the robust adaptive torque controllers, are designed for solving the formation control problem. Thirdly, the specified reference trajectory for the geometric centroid of the formation is assumed as the trajectory of a virtual leader, whose information is available to only a subset of the followers. Finally, numerical results are provided to illustrate the effectiveness of the proposed control approaches.

Molecular dynamics simulation of liquid structure for undercooled Zr-Nb alloys assisted with electrostatic levitation experiments

Science.gov (United States)

Yang, S. J.; Hu, L.; Wang, L.; Wei, B.

2018-06-01

The liquid structures of undercooled Zr90Nb10, Zr70Nb30 and Zr50Nb50 alloys were studied by molecular dynamics simulation combined with electrostatic levitation experiments. The densities of three alloys were measured by electrostatic levitation to modify the Zr-Nb potential functions by adjusting parameters in potential functions. In simulation, the atomic packing in Zr-Nb alloys was more ordered at lower temperatures. The Voronoi tessellation analyses indicated Nb-centered clusters were easier to form than Zr-centered clusters although the Nb content was less than 50%. The partial pair distribution functions showed that the interactions among Zr atoms are quite different to that among Nb atoms.

Earthquake engineering and structural dynamics studies at Bhabha Atomic Research Centre

International Nuclear Information System (INIS)

Reddy, G.R.; Parulekar, Y.M.; Sharma, A.; Dubey, P.N.; Vaity, K.N.; Kukreja, Mukhesh; Vaze, K.K.; Ghosh, A.K.; Kushwaha, H.S.

2007-01-01

Earthquake Engineering and structural Dynamics has gained the attention of many researchers throughout the world and extensive research work is performed. Linear behaviour of structures, systems and components (SSCs) subjected to earthquake/dynamic loading is clearly understood. However, nonlinear behaviour of SSCs subjected to earthquake/dynamic loading need to be understood clearly and design methods need to be validated experimentally. In view of this, three major areas in earthquake engineering and structural dynamics identified for research includes: design and development of passive devices to control the seismic/dynamic response of SSCs, nonlinear behaviour of piping systems subjected to earthquake loading and nonlinear behavior of RCC structures under seismic excitation or dynamic loading. BARC has performed extensive work and also being continued in the above-identified areas. The work performed is helping for clearer understanding of nonlinear behavior of SSCs as well as in developing new schemes, methodologies and devices to control the earthquake response of SSCs. (author)

Importance of structural damping in the dynamic analysis of compliant deployable structures

Science.gov (United States)

Dewalque, Florence; Rochus, Pierre; Brüls, Olivier

2015-06-01

Compliant mechanisms such as tape springs are often used on satellites to deploy appendices, e.g. solar panels, antennas, telescopes and solar sails. Their main advantage comes from the fact that their motion results from the elastic deformation of structural components and the absence of actuators or external energy sources. The mechanical behaviour of a tape spring is intrinsically complex and nonlinear involving buckling, hysteresis and self-locking phenomena. In the majority of the previous works, dynamic simulations were performed without any physical representation of the structural damping. These simulations could be successfully achieved because of the presence of numerical damping in the transient solver. However, in this case, the dynamic response turns out to be quite sensitive to the amount of numerical dissipation, so that the predictive capabilities of the model are questionable. In this work based on numerical case studies, we show that the dynamic simulation of a tape spring can be made less sensitive to numerical parameters when the structural dissipation is taken into account.

The comparison of DYNA3D to approximate solutions for a partially- full waste storage tank subjected to seismic loading

International Nuclear Information System (INIS)

Zaslawsky, M.; Kennedy, W.N.

1992-01-01

Mathematical solutions to the problem consisting of a partially-full waste tank subjected to seismic loading, embedded in soil, is classically difficult in that one has to address: soil-structure interaction, fluid-structure interaction, non-linear behavior of material, dynamic effects. Separating the problem and applying numerous assumptions will yield approximate solutions. This paper explores methods for generating these solutions accurately

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

Dynamic transformation of self-assembled structures using anisotropic magnetized hydrogel microparticles

Science.gov (United States)

Yoshida, Satoru; Takinoue, Masahiro; Iwase, Eiji; Onoe, Hiroaki

2016-08-01

This paper describes a system through which the self-assembly of anisotropic hydrogel microparticles is achieved, which also enables dynamic transformation of the assembled structures. Using a centrifuge-based microfluidic device, anisotropic hydrogel microparticles encapsulating superparamagnetic materials on one side are fabricated, which respond to a magnetic field. We successfully achieve dynamic assembly using these hydrogel microparticles and realize three different self-assembled structures (single and double pearl chain structures, and close-packed structures), which can be transformed to other structures dynamically via tuning of the precessional magnetic field. We believe that the developed system has potential application as an effective platform for a dynamic cell manipulation and cultivation system, in biomimetic autonomous microrobot organization, and that it can facilitate further understanding of the self-organization and complex systems observed in nature.

[Structure of crambin in solution, crystal and in the trajectories of molecular dynamics simulations].

Science.gov (United States)

Abaturov, L V; Nosova, N G

2013-01-01

The mechanisms of the three-dimensional crambin structure alterations in the crystalline environments and in the trajectories of the molecular dynamics simulations in the vacuum and crystal surroundings have been analyzed. In the crystalline state and in the solution the partial regrouping of remote intramolecular packing contacts, involved in the formation and stabilization of the tertiary structure of the crambin molecule, occurs in NMR structures. In the crystalline state it is initiated by the formation of the intermolecular contacts, the conformational influence of its appearance is distributed over the structure. The changes of the conformations and positions of the residues of the loop segments, where the intermolecular contacts of the crystal surroundings are preferably concentrated, are most observable. Under the influence of these contacts the principal change of the regular secondary structure of crambin is taking place: extension of the two-strand beta structure to the three-strand structure with the participation of the single last residue N46 of the C-terminal loop. In comparison with the C-terminal loop the more profound changes are observed in the conformation and the atomic positions of the backbone atoms and in the solvent accessibility of the residues of the interhelical loop. In the solution of the ensemble of the 8 NMR structures relative accessibility to the solvent differs more noticeably also in the region of the loop segments and rather markedly in the interhelical loop. In the crambin cryogenic crystal structures the positions of the atoms of the backbone and/or side chain of 14-18 of 46 residues are discretely disordered. The disorganizations of at least 8 of 14 residues occur directly in the regions of the intermolecular contacts and another 5 residues are disordered indirectly through the intramolecular contacts with the residues of the intermolecular contacts. Upon the molecular dynamics simulation in the vacuum surrounding as in the

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.

A dynamical regularization algorithm for solving inverse source problems of elliptic partial differential equations

Science.gov (United States)

Zhang, Ye; Gong, Rongfang; Cheng, Xiaoliang; Gulliksson, Mårten

2018-06-01

This study considers the inverse source problem for elliptic partial differential equations with both Dirichlet and Neumann boundary data. The unknown source term is to be determined by additional boundary conditions. Unlike the existing methods found in the literature, which usually employ the first-order in time gradient-like system (such as the steepest descent methods) for numerically solving the regularized optimization problem with a fixed regularization parameter, we propose a novel method with a second-order in time dissipative gradient-like system and a dynamical selected regularization parameter. A damped symplectic scheme is proposed for the numerical solution. Theoretical analysis is given for both the continuous model and the numerical algorithm. Several numerical examples are provided to show the robustness of the proposed algorithm.

Procedure to determine the optimal parameters of the main primary coolant pump after compacting the FRG-1 reactor. Pt. 2. Partial structures of the procedure

International Nuclear Information System (INIS)

Pihowicz, W.

1999-01-01

On the basis of an extensive physical and technical analysis the partial structures of the procedure had been developed. They represent a logical linkage of determination elements in the form of decision and result units. The developed partial structures enable to determine the physical parameters, which characterize the primary circuit together with the compact core as well as the main primary coolant pump coming into question after compacting the core. The report also contains a discussions and a comparison of the partial structures. (orig.) [de

Structure Learning in Stochastic Non-linear Dynamical Systems

Science.gov (United States)

Morris, R. D.; Smelyanskiy, V. N.; Luchinsky, D. G.

2005-12-01

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

Peculiar atomic dynamics in liquid GeTe with asymmetrical bonding: Observation by inelastic x-ray scattering

Science.gov (United States)

Inui, M.; Koura, A.; Kajihara, Y.; Hosokawa, S.; Chiba, A.; Kimura, K.; Shimojo, F.; Tsutsui, S.; Baron, A. Q. R.

2018-05-01

Collective dynamics in liquid GeTe was investigated by inelastic x-ray scattering at 2 ≤Q ≤31 nm-1 . The dynamic structure factor shows clear inelastic excitations. The excitation energies at low Q disperse with increasing Q , consistent with the behavior of a longitudinal-acoustic excitation. The dispersion curve has a flat-topped region around the pseudo-Brillouin-zone boundary, similar to what is observed in liquid Bi [Inui et al., Phys. Rev. B 92, 054206 (2015), 10.1103/PhysRevB.92.054206]. The dynamic structure factor shows a low-frequency excitation, and its coupling with the longitudinal-acoustic mode plays an important role for a flat-topped dispersion. From these results, it is inferred that atomic dynamics in liquid GeTe is strongly affected by a Peierls distortion similar to liquid Bi. By comparing the momentum transfer dependence of the excitation energy and quasielastic linewidth to partial structure factors obtained by our own ab initio molecular dynamics simulation for liquid GeTe, the quasielastic and inelastic components were found to be correlated with Te-Te and Ge-(Ge,Te) partial structure factors, respectively.

Self-organizing biochemical cycle in dynamic feedback with soil structure

Science.gov (United States)

Vasilyeva, Nadezda; Vladimirov, Artem; Smirnov, Alexander; Matveev, Sergey; Tyrtyshnikov, Evgeniy; Yudina, Anna; Milanovskiy, Evgeniy; Shein, Evgeniy

2016-04-01

In the present study we perform bifurcation analysis of a physically-based mathematical model of self-organized structures in soil (Vasilyeva et al., 2015). The state variables in this model included microbial biomass, two organic matter types, oxygen, carbon dioxide, water content and capillary pore size. According to our previous experimental studies, organic matter affinity to water is an important property affecting soil structure. Therefore, organic matter wettability was taken as principle distinction between organic matter types in this model. It considers general known biological feedbacks with soil physical properties formulated as a system of parabolic type non-linear partial differential equations with elements of discrete modeling for water and pore formation. The model shows complex behavior, involving emergence of temporal and spatial irregular auto-oscillations from initially homogeneous distributions. The energy of external impact on a system was defined by a constant oxygen level on the boundary. Non-linear as opposed to linear oxygen diffusion gives possibility of modeling anaerobic micro-zones formation (organic matter conservation mechanism). For the current study we also introduced population competition of three different types of microorganisms according to their mobility/feeding (diffusive, moving and fungal growth). The strongly non-linear system was solved and parameterized by time-optimized algorithm combining explicit and implicit (matrix form of Thomas algorithm) methods considering the time for execution of the evaluated time-step according to accuracy control. The integral flux of the CO2 state variable was used as a macroscopic parameter to describe system as a whole and validation was carried out on temperature series of moisture dependence for soil heterotrophic respiration data. Thus, soil heterotrophic respiration can be naturally modeled as an integral result of complex dynamics on microscale, arising from biological processes

A Discrete Dynamical Model of Signed Partitions

Directory of Open Access Journals (Sweden)

G. Chiaselotti

2013-01-01

Full Text Available We use a discrete dynamical model with three evolution rules in order to analyze the structure of a partially ordered set of signed integer partitions whose main properties are actually not known. This model is related to the study of some extremal combinatorial sum problems.

Structured population dynamics: continuous size and discontinuous stage structures.

Science.gov (United States)

Buffoni, Giuseppe; Pasquali, Sara

2007-04-01

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

Dynamical load factor of impact loaded shell structures

International Nuclear Information System (INIS)

Hammel, J.

1977-01-01

Dynamical loaded structures can be analysed by spectral representations, which usually lead to an enormous computational effort. If it is possible to find a fitting dynamical load factor, the dynamical problem can be reduced to a statical one. The computation of this statical problem is much simpler. The disadvantage is that the dynamical load factor usually leads to a very rough approximation. In this paper it will be shown, that by combination of these two methods, the approximation of the dynamical load factor can be improved and the consumption of computation time can be enormously reduced. (Auth.)

Physics of partially ionized plasmas

CERN Document Server

Krishan, Vinod

2016-01-01

Plasma is one of the four fundamental states of matter; the other three being solid, liquid and gas. Several components, such as molecular clouds, diffuse interstellar gas, the solar atmosphere, the Earth's ionosphere and laboratory plasmas, including fusion plasmas, constitute the partially ionized plasmas. This book discusses different aspects of partially ionized plasmas including multi-fluid description, equilibrium and types of waves. The discussion goes on to cover the reionization phase of the universe, along with a brief description of high discharge plasmas, tokomak plasmas and laser plasmas. Various elastic and inelastic collisions amongst the three particle species are also presented. In addition, the author demonstrates the novelty of partially ionized plasmas using many examples; for instance, in partially ionized plasma the magnetic induction is subjected to the ambipolar diffusion and the Hall effect, as well as the usual resistive dissipation. Also included is an observation of kinematic dynam...

Parameter and Structure Inference for Nonlinear Dynamical Systems

Science.gov (United States)

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

2006-01-01

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

Stochastic Erosion of Fractal Structure in Nonlinear Dynamical Systems

Science.gov (United States)

Agarwal, S.; Wettlaufer, J. S.

2014-12-01

We analyze the effects of stochastic noise on the Lorenz-63 model in the chaotic regime to demonstrate a set of general issues arising in the interpretation of data from nonlinear dynamical systems typical in geophysics. The model is forced using both additive and multiplicative, white and colored noise and it is shown that, through a suitable choice of the noise intensity, both additive and multiplicative noise can produce similar dynamics. We use a recently developed measure, histogram distance, to show the similarity between the dynamics produced by additive and multiplicative forcing. This phenomenon, in a nonlinear fractal structure with chaotic dynamics can be explained by understanding how noise affects the Unstable Periodic Orbits (UPOs) of the system. For delta-correlated noise, the UPOs erode the fractal structure. In the presence of memory in the noise forcing, the time scale of the noise starts to interact with the period of some UPO and, depending on the noise intensity, stochastic resonance may be observed. This also explains the mixing in dissipative dynamical systems in presence of white noise; as the fractal structure is smoothed, the decay of correlations is enhanced, and hence the rate of mixing increases with noise intensity.

The assessment of structural dynamics problems in nuclear reactor safety

International Nuclear Information System (INIS)

Liebe, R.

1978-10-01

The paper discusses important physical features of structural dynamics problems in reactor safety. First a general characterization is given of the following problems: Containment deformation due to pool-dynamics during BWR-blowdown; behavior of the core internals due to PWR-blowdown loads; dynamic response of a nuclear power plant during an earthquake; fuel element deformation due to local pressure pulses in an LMFBR core. Several criterias are formulated to classify typical problems so that a better choise can be made both of appropriate mathematical/numerical as well as experimental techniques. The degree of physical coupling between structural dynamics and fluid dynamics is discussed in more detail since it requires particular attention when selecting problem-oriented methods of solution. Some examples are given to illustrate the application and to compare advantages and disadvantages of several numerical methods. Then description is given of experimental techniques in structural dynamics and typical problem areas are identified. Finally some results are presented concerning the fuel element deformation problem in LMFBRs and from the general considerations some important conclusions are summarized. (orig.) 891 RW 892 AP [de

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)

The effect of O2 partial pressure on the structure and photocatalytic property of TiO2 films prepared by sputtering

International Nuclear Information System (INIS)

Liu Baoshun; Zhao Xiujian; Zhao Qingnan; Li Chunling; He Xin

2005-01-01

The TiO 2 films were prepared on slide substrates by dc reactive magnetron sputtering at different oxygen partial pressure, and were characterized by X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), atomic force microscopy (AFM) and Fourier transform infrared spectrometry (FT-IR). The degradation of methyl orange aqueous solutions was used to evaluate the photocatalytic activity. The results show that all films show crystalline anatase structure irrespective of oxygen partial pressure. The surface oxygen element exists in three forms, the first one is TiO 2 , the second one is OH - and the last one is physical absorbed water. The films deposited at oxygen partial pressure of 0.035 and 0.040 mTorr present better photocatalytic activity, which shows clear tendency to increase with oxygen partial pressure. Such photocatalytic activity results are considered to correlate with the crystalline structure, grain sizes and the OH - concentration

Invariant molecular-dynamics approach to structural phase transitions

International Nuclear Information System (INIS)

Wentzcovitch, R.M.

1991-01-01

Two fictitious Lagrangians to be used in molecular-dynamics simulations with variable cell shape and suitable to study problems like structural phase transitions are introduced. Because they are invariant with respect to the choice of the simulation cell edges and eliminate symmetry breaking associated with the fictitious part of the dynamics, they improve the physical content of numerical simulations that up to now have been done by using Parrinello-Rahman dynamics

Frequency response function-based explicit framework for dynamic identification in human-structure systems

Science.gov (United States)

Wei, Xiaojun; Živanović, Stana

2018-05-01

The aim of this paper is to propose a novel theoretical framework for dynamic identification in a structure occupied by a single human. The framework enables the prediction of the dynamics of the human-structure system from the known properties of the individual system components, the identification of human body dynamics from the known dynamics of the empty structure and the human-structure system and the identification of the properties of the structure from the known dynamics of the human and the human-structure system. The novelty of the proposed framework is the provision of closed-form solutions in terms of frequency response functions obtained by curve fitting measured data. The advantages of the framework over existing methods are that there is neither need for nonlinear optimisation nor need for spatial/modal models of the empty structure and the human-structure system. In addition, the second-order perturbation method is employed to quantify the effect of uncertainties in human body dynamics on the dynamic identification of the empty structure and the human-structure system. The explicit formulation makes the method computationally efficient and straightforward to use. A series of numerical examples and experiments are provided to illustrate the working of the method.

The structural, elastic, electronic and dynamical properties of chalcopyrite semiconductor BeGeAs{sub 2} from first-principles calculations

Energy Technology Data Exchange (ETDEWEB)

Ciftci, Yasemin Oe. [Gazi University Teknikokullar, Department of Physics, Faculty of Sciences, Ankara (Turkey); Evecen, Meryem; Aldirmaz, Emine [Amasya University, Department of Physics, Faculty of Arts and Sciences, Amasya (Turkey)

2017-01-15

First-principles calculations for the structural, elastic, electronic and vibrational properties of BeGeAs{sub 2} with chalcopyrite structure have been reported in the frame work of the density functional theory. The calculated ground state properties are in good agreement with the available data. By considering the electronic band structure and electronic density of states calculation, it is found that this compound is a semiconductor which confirmed the previous work. Single-crystal elastic constants and related properties such as Young's modulus, Poisson ratio, shear modulus and bulk modulus have been predicted using the stress-finite strain technique. It can be seen from the calculated elastic constants that this compound is mechanically stable in the chalcopyrite structure. Pressure dependences of elastic constants and band gap are also reported. Finally, the phonon dispersion curves and total and partial density of states were calculated and discussed. The calculated phonon frequencies BeGeAs{sub 2} are positive, indicating the dynamical stability of the studied compound. (orig.)

BoolFilter: an R package for estimation and identification of partially-observed Boolean dynamical systems.

Science.gov (United States)

Mcclenny, Levi D; Imani, Mahdi; Braga-Neto, Ulisses M

2017-11-25

Gene regulatory networks govern the function of key cellular processes, such as control of the cell cycle, response to stress, DNA repair mechanisms, and more. Boolean networks have been used successfully in modeling gene regulatory networks. In the Boolean network model, the transcriptional state of each gene is represented by 0 (inactive) or 1 (active), and the relationship among genes is represented by logical gates updated at discrete time points. However, the Boolean gene states are never observed directly, but only indirectly and incompletely through noisy measurements based on expression technologies such as cDNA microarrays, RNA-Seq, and cell imaging-based assays. The Partially-Observed Boolean Dynamical System (POBDS) signal model is distinct from other deterministic and stochastic Boolean network models in removing the requirement of a directly observable Boolean state vector and allowing uncertainty in the measurement process, addressing the scenario encountered in practice in transcriptomic analysis. BoolFilter is an R package that implements the POBDS model and associated algorithms for state and parameter estimation. It allows the user to estimate the Boolean states, network topology, and measurement parameters from time series of transcriptomic data using exact and approximated (particle) filters, as well as simulate the transcriptomic data for a given Boolean network model. Some of its infrastructure, such as the network interface, is the same as in the previously published R package for Boolean Networks BoolNet, which enhances compatibility and user accessibility to the new package. We introduce the R package BoolFilter for Partially-Observed Boolean Dynamical Systems (POBDS). The BoolFilter package provides a useful toolbox for the bioinformatics community, with state-of-the-art algorithms for simulation of time series transcriptomic data as well as the inverse process of system identification from data obtained with various expression

Interfacial ionic 'liquids': connecting static and dynamic structures.

Science.gov (United States)

Uysal, Ahmet; Zhou, Hua; Feng, Guang; Lee, Sang Soo; Li, Song; Cummings, Peter T; Fulvio, Pasquale F; Dai, Sheng; McDonough, John K; Gogotsi, Yury; Fenter, Paul

2015-01-28

It is well known that room temperature ionic liquids (RTILs) often adopt a charge-separated layered structure, i.e. with alternating cation- and anion-rich layers, at electrified interfaces. However, the dynamic response of the layered structure to temporal variations in applied potential is not well understood. We used in situ, real-time x-ray reflectivity to study the potential-dependent electric double layer (EDL) structure of an imidazolium-based RTIL on charged epitaxial graphene during potential cycling as a function of temperature. The results suggest that the graphene-RTIL interfacial structure is bistable in which the EDL structure at any intermediate potential can be described by the combination of two extreme-potential structures whose proportions vary depending on the polarity and magnitude of the applied potential. This picture is supported by the EDL structures obtained by fully atomistic molecular dynamics simulations at various static potentials. The potential-driven transition between the two structures is characterized by an increasing width but with an approximately fixed hysteresis magnitude as a function of temperature. The results are consistent with the coexistence of distinct anion- and cation-adsorbed structures separated by an energy barrier (∼0.15 eV).

Structural dynamics and vibration 1995. PD-Volume 70

International Nuclear Information System (INIS)

Ovunc, B.A.; Esat, I.I.; Sabir, A.B.; Karadag, V.

1995-01-01

The themes of this symposium focused on: dynamic responses to temperature cycles and wind excitation; the influence of the hydraulic feedback on stability; structural reliability; vibratory stress relief; fault detection by signal processing; dynamic contact in mechanisms; vibration of thick flexible mechanisms; higher order mechanisms in flexible mechanisms; natural circular frequencies by finite element method; elastic buckling, stability, and vibration of linear and nonlinear structures; buckling of stiffened plates and rings; mixed variable optimization; vibration optimization; and optimization in a constrained space. Separate abstracts were prepared for 20 papers in this book

Degeneracy-driven self-structuring dynamics in selective repertoires.

Science.gov (United States)

Atamas, Sergei P; Bell, Jonathan

2009-08-01

Numerous biological interactions, such as interactions between T cell receptors or antibodies with antigens, interactions between enzymes and substrates, or interactions between predators and prey are often not strictly specific. In such less specific, or "sloppy," systems, referred to here as degenerate systems, a given unit of a diverse resource (antigens, enzymatic substrates, prey) is at risk of being recognized and consumed by multiple consumers (lymphocytes, enzymes, predators). In this study, we model generalized degenerate consumer-resource systems of Lotka-Volterra and Verhulst types. In the degenerate systems of Lotka-Volterra, there is a continuum of types of consumer and resource based on variation of a single trait (characteristic, or preference). The consumers experience competition for a continuum of resource types. This non-local interaction system is modeled with partial differential-integral equations and shows spontaneous self-structuring of the consumer population that depends on the degree of interaction degeneracy between resource and consumer, but does not mirror the distribution of resource. We also show that the classical Verhulst (i.e. logistic) single population model can be generalized to a degenerate model, which shows qualitative behavior similar to that in the degenerate Lotka-Volterra model. These results provide better insight into the dynamics of selective systems in biology, suggesting that adaptation of degenerate repertoires is not a simple "mirroring" of the environment by the "fittest" elements of population.

Structural dynamic modification using additive damping

Indian Academy of Sciences (India)

elements, FEM and perturbation methods for reanalysis or structural dynamic modification ... to a system changes its mass, stiffness and damping. Thus ... due to the phase difference between stress ' and strain or 'a И E1 З iE2 for direct strain.

The evolving cobweb of relations among partially rational investors

Science.gov (United States)

DiMeglio, Anna; Garofalo, Franco; Lo Iudice, Francesco

2017-01-01

To overcome the limitations of neoclassical economics, researchers have leveraged tools of statistical physics to build novel theories. The idea was to elucidate the macroscopic features of financial markets from the interaction of its microscopic constituents, the investors. In this framework, the model of the financial agents has been kept separate from that of their interaction. Here, instead, we explore the possibility of letting the interaction topology emerge from the model of the agents’ behavior. Then, we investigate how the emerging cobweb of relationship affects the overall market dynamics. To this aim, we leverage tools from complex systems analysis and nonlinear dynamics, and model the network of mutual influence as the output of a dynamical system describing the edge evolution. In this work, the driver of the link evolution is the relative reputation between possibly coupled agents. The reputation is built differently depending on the extent of rationality of the investors. The continuous edge activation or deactivation induces the emergence of leaders and of peculiar network structures, typical of real influence networks. The subsequent impact on the market dynamics is investigated through extensive numerical simulations in selected scenarios populated by partially rational investors. PMID:28196144

The structure and dynamics of boron nitride nanoscrolls

International Nuclear Information System (INIS)

Perim, Eric; Galvao, Douglas S

2009-01-01

Carbon nanoscrolls (CNSs) are structures formed by rolling up graphene layers into a scroll-like shape. CNNs have been experimentally produced by different groups. Boron nitride nanoscrolls (BNNSs) are similar structures using boron nitride instead of graphene layers. In this paper we report molecular mechanics and molecular dynamics results for the structural and dynamical aspects of BNNS formation. Similarly to CNS, BNNS formation is dominated by two major energy contributions, the increase in the elastic energy and the energetic gain due to van der Waals interactions of the overlapping surface of the rolled layers. The armchair scrolls are the most stable configuration while zigzag scrolls are metastable structures which can be thermally converted to armchairs. Chiral scrolls are unstable and tend to evolve into zigzag or armchair configurations depending on their initial geometries. The possible experimental routes to produce BNNSs are also addressed.

About the dynamics of structural phase transitions

International Nuclear Information System (INIS)

Medeiros, J.T.N.

1975-01-01

The dynamics of structural phase transitions with a fourth order interaction between the soft phonon fields is studied in the 1/n approximation, using many body methods at finite temperatures. Two limits are considered: high transition temperature T sub(c) (classical limit) and T sub(c) = 0 (quantum limit). The dynamical contribution to the critical coefficient eta of the correlation function is calculated in these limits. It is found that there is no dynamical contribution to eta in the classical limit, whereas in the quantum limit eta is non-zero only for dimensions of the system d [pt

Nonlinear dynamic analysis of framed structures including soil-structure interaction effects

International Nuclear Information System (INIS)

Mahmood, M.N.; Ahmed, S.Y.

2008-01-01

The role of oil-structure interaction on seismic behavior of reinforced concrete structures is investigated in this paper. A finite element approach has been adopted to model the interaction system that consists of the reinforced concrete plane frame, soil deposit and interface which represents the frictional between foundation of the structure and subsoil. The analysis is based on the elasto-plastic behavior of the frame members (beams and columns) that is defined by the ultimate axial force-bending moment interaction curve, while the cap model is adopted to govern the elasto-plastic behavior of the soil material. Mohr-Coulomb failure law is used to determine the initiation of slippage at the interface, while the separation is assumed to determine the initiation of slippage at the interface, while the separation is assumed to occur when the stresses at the interface becomes tension stresses. New-Mark's Predictor-Corrector algorithm is adopted for nonlinear dynamic analysis. The main aim of present work is to evaluate the sensitivity of structures to different behavior of the soil and interface layer when subjected to an earthquake excitation. Predicted results of the dynamic analysis of the interaction system indicate that the soil-structure interaction problem can have beneficial effects on the structural behavior when different soil models (elastic and elasto-plastic) and interface conditions (perfect bond and permitted slip)are considered. (author)

Femtosecond structural dynamics on the atomic length scale

Energy Technology Data Exchange (ETDEWEB)

Zhang, Dongfang

2014-03-15

deeply involved in their development. I performed the first study in our compact FED system. I studied the optical and structural response of alkali halides to intense UV excitation conditions, i.e. above the damage threshold of the samples which required the application of a single-shot scheme. In order to gain a better understanding of the ablation process that follows fs optical excitation in alkali halides, I applied a variety of different techniques. Optical reflectivity, femtosecond electron diffraction, ion detection and crater measurements revealed the existence of a cold ablation process that occurs well below the threshold for plasma formation and even that for the melting point of the salts. This atypical cold explosion owes to the presence of highly localized excitonic states and reflects the repulsive nature of initial electronic correlations at play. In the case of REGAE, we performed the first time-resolved experiment following the fs laser heating dynamics and partial melting of polycrystalline gold films. This experiment was crucial to test the overall synchronization of our REGAE machine. We were able to observe a clear dynamics under single-shot photo-excitation conditions and found time zero within 1 picosecond. Further electron pulse characterization will involve the implementation of ponderomotive scattering. I have already constructed the required modular setup and performed all preliminary ASTRA N-body simulations.

Turbulent structure and dynamics of swirled, strongly pulsed jet diffusion flames

KAUST Repository

Liao, Ying-Hao; Hermanson, James C.

2013-01-01

The structure and dynamics of swirled, strongly pulsed, turbulent jet diffusion flames were examined experimentally in a co-flow swirl combustor. The dynamics of the large-scale flame structures, including variations in flame dimensions, the degree

Accumulation and connectivity of coarse woody debris in partial harvest and unmanaged relict forests.

Directory of Open Access Journals (Sweden)

Robert C Morrissey

Full Text Available When a tree dies, it continues to play an important ecological role within forests. Coarse woody debris (CWD, including standing deadwood (SDW and downed deadwood (DDW, is an important functional component of forest ecosystems, particularly for many dispersal-limited saproxylic taxa and for metapopulation dynamics across landscapes. Processes, such as natural disturbance or management, modify forest composition and structure, thereby influencing CWD abundance and distribution. Many studies have compared older forests to forests managed with even-aged silvicultural systems and observed a prolonged period of low CWD occurrence after harvesting. With fine-scale spatial data, our study compares the long-term impacts of light partial harvesting on the CWD structure of eastern deciduous hardwood forests. We mapped and inventoried DDW and SDW using variable radius plots based on a 10 m × 10 m grid throughout an unmanaged, structurally-complex relict forest and two nearby forests that were partially harvested over 46 years ago. The relict stand had significantly larger individual pieces and higher accumulations of DDW and SDW than both of the partially harvested stands. Connectivity of CWD was much higher in the relict stand, which had fewer, larger patches. Larger pieces and higher proportion of decay-resistant species (e.g. Quercus spp. in the relict forest resulted in slower decomposition, greater accumulation and increased connectivity of CWD. Partial harvests, such that occur with selection forestry, are generally considered less disruptive of ecosystem services, but this study highlights the long-term impacts of even light partial harvests on CWD stocks and distribution. When planning harvesting events, forest managers should also consider alternative methods to ensure the sustainability of deadwood resources and function.

DYNAMIC CINEMATIC TO A STRUCTURE 2R

Directory of Open Access Journals (Sweden)

Florian Ion Tiberiu Petrescu

2016-06-01

Full Text Available Normal 0 false false false EN-US X-NONE X-NONE MicrosoftInternetExplorer4 Flat structures 2R can solve all the problems posed by all the robotic anthropomorphic structures. The study of the anthropomorphic robots by the use of a flat structure 2R is a much easier method than classical used spatial methods. The paper outlines a method for the determination of dynamic to a robotic structure 2R balanced. 2R plane structures are used in practice only in the form balanced, for which in this paper will be made, initial, the total balance, and then the study cinematico-dynamic will only develop on the model already balanced. Dynamic relations presented then briefly without deduction will be explained and discussed with regard to their application. On the basis of the model presented and following calculations performed can be chosen correctly the two electric motors in the actuator. /* Style Definitions */ table.MsoNormalTable {mso-style-name:"Table Normal"; mso-tstyle-rowband-size:0; mso-tstyle-colband-size:0; mso-style-noshow:yes; mso-style-priority:99; mso-style-qformat:yes; mso-style-parent:""; mso-padding-alt:0cm 5.4pt 0cm 5.4pt; mso-para-margin:0cm; mso-para-margin-bottom:.0001pt; mso-pagination:widow-orphan; font-size:11.0pt; font-family:"Calibri","sans-serif"; mso-ascii-font-family:Calibri; mso-ascii-theme-font:minor-latin; mso-fareast-font-family:"Times New Roman"; mso-fareast-theme-font:minor-fareast; mso-hansi-font-family:Calibri; mso-hansi-theme-font:minor-latin; mso-bidi-font-family:"Times New Roman"; mso-bidi-theme-font:minor-bidi;}

Evaluation of dynamic testing of as-built civil engineering structures

International Nuclear Information System (INIS)

Srinivasan, M.G.; Kot, C.A.; Hsieh, B.J.

1985-01-01

This paper summarizes an evaluation of dynamic tests performed on large as-built structures. The objectives and methods (excitation and data analysis) of tests are reviewed. The utility and limitations of dynamic testing in light of actual experience is discussed. Though low-level tests in themselves will not be useful for predicting structural response to strong ground motion, they are useful for verifying linear models and for clarifying physical phenomena related to soil-structure interaction

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)

Dynamic characteristics analysis of deployable space structures considering joint clearance

Science.gov (United States)

Li, Tuanjie; Guo, Jian; Cao, Yuyan

2011-04-01

The clearance in joints influences the dynamic stability and the performance of deployable space structures (DSS). A virtual experimental modal analysis (VEMA) method is proposed to deal with the effects of joint clearance and link flexibility on the dynamic characteristics of the DSS in this paper. The focus is on the finite element modeling of the clearance joint, VEMA and the modal parameters identification of the DSS. The finite element models (FEM) of the clearance joint and the deployable structure are established in ANSYS. The transient dynamic analysis is conducted to provide the time history data of excitation and response for the VEMA. The fast Fourier transform (FFT) technique is used to transform the data from time domain to frequency domain. The frequency response function is calculated to identify the modal parameters of the deployable structure. Experimental verification is provided to indicate the VEMA method is both a cost and time efficient approach to obtain the dynamic characteristics of the DSS. Finally, we analyze the effects of clearance size and gravity on the dynamic characteristics of the DSS. The analysis results indicate that the joint clearance and gravity strongly influence the dynamic characteristics of the DSS.

Human-Structure Dynamic Interaction during Short-Distance Free Falls

Directory of Open Access Journals (Sweden)

E. Shahabpoor

2016-01-01

Full Text Available The dynamic interactions of falling human bodies with civil structures, regardless of their potentially critical effects, have sparsely been researched in contact biomechanics. The physical contact models suggested in the existing literature, particularly for short-distant falls in home settings, assume the human body falls on a “rigid” (not vibrating ground. A similar assumption is usually made during laboratory-based fall tests, including force platforms. Based on observations from a set of pediatric head-first free fall tests, the present paper shows that the dynamics of the grounded force plate are not always negligible when doing fall test in a laboratory setting. By using a similar analogy for lightweight floor structures, it is shown that ignoring the dynamics of floors in the contact model can result in an up to 35% overestimation of the peak force experienced by a falling human. A nonlinear contact model is suggested, featuring an agent-based modelling approach, where the dynamics of the falling human and the impact object (force plate or a floor structure here are each modelled using a single-degree-of-freedom model to simulate their dynamic interactions. The findings of this research can have wide applications in areas such as impact biomechanics and sports science.

Stability analysis of whirling composite shells partially filled with two liquid phases

Energy Technology Data Exchange (ETDEWEB)

Sahebnasagh, Mohammad [Department of Mechanical Engineering, University of Tehran, Tehran (Iran, Islamic Republic of); Nikkhah-Bahrami, Mansour; Firouz-Abadi, Roohollah [Department of Aerospace Engineering, Sharif University, Tehran (Iran, Islamic Republic of)

2017-05-15

In this paper, the stability of whirling composite cylindrical shells partially filled with two liquid phases is studied. Using the first-order shear shell theory, the structural dynamics of the shell is modeled and based on the Navier-Stokes equations for ideal liquid, a 2D model is developed for liquid motion at each section of the cylinder. In steady state condition, liquids are supposed to locate according to mass density. In this study, the thick shells are investigated. Using boundary conditions between liquids, the model of coupled fluid-structure system is obtained. This coupled fluid-structure model is employed to determine the critical speed of the system. The effects of the main variables on the stability of the shell are studied and the results are investigated.

Structural fluctuation governed dynamic diradical character in pentacene.

Science.gov (United States)

Yang, Hongfang; Chen, Mengzhen; Song, Xinyu; Bu, Yuxiang

2015-06-07

We unravel intriguing dynamical diradical behavior governed by structural fluctuation in pentacene using ab initio molecular dynamics simulation. In contrast to static equilibrium configuration of pentacene with a closed-shell ground state without diradical character, due to structural fluctuation, some of its dynamical snapshot configurations exhibit an open-shell broken-symmetry singlet ground state with diradical character, and such diradical character presents irregular pulsing behavior in time evolution. Not all structural changes can lead to diradical character, only those involving the shortening of cross-linking C-C bonds and variations of the C-C bonds in polyacetylene chains are the main contributors. This scenario about diradicalization is distinctly different from that in long acenes. The essence is that structural distortion cooperatively raises the HOMO and lowers the LUMO, efficiently reducing the HOMO-LUMO and singlet-triplet energy gaps, which facilitate the formation of a broken-symmetry open-shell singlet state. The irregular pulsing behavior originates from the mixing of normal vibrations in pentacene. This fascinating behavior suggests the potential application of pentacene as a suitable building block in the design of new electronic devices due to its magnetism-controllability through energy induction. This work provides new insight into inherent electronic property fluctuation in acenes.

The structure of molten CuCl: Reverse Monte Carlo modeling with high-energy X-ray diffraction data and molecular dynamics of a polarizable ion model

Energy Technology Data Exchange (ETDEWEB)

Alcaraz, Olga; Trullàs, Joaquim, E-mail: quim.trullas@upc.edu [Departament de Física i Enginyeria Nuclear, Universitat Politècnica de Catalunya, Campus Nord UPC B4-B5, 08034 Barcelona (Spain); Tahara, Shuta [Department of Physics and Earth Sciences, Faculty of Science, University of the Ryukyus, Okinawa 903-0213 (Japan); Kawakita, Yukinobu [J-PARC Center, Japan Atomic Energy Agency (JAEA), Ibaraki 319-1195 (Japan); Takeda, Shin’ichi [Department of Physics, Faculty of Sciences, Kyushu University, Fukuoka 819-0395 (Japan)

2016-09-07

The results of the structural properties of molten copper chloride are reported from high-energy X-ray diffraction measurements, reverse Monte Carlo modeling method, and molecular dynamics simulations using a polarizable ion model. The simulated X-ray structure factor reproduces all trends observed experimentally, in particular the shoulder at around 1 Å{sup −1} related to intermediate range ordering, as well as the partial copper-copper correlations from the reverse Monte Carlo modeling, which cannot be reproduced by using a simple rigid ion model. It is shown that the shoulder comes from intermediate range copper-copper correlations caused by the polarized chlorides.

The structure of molten CuCl: Reverse Monte Carlo modeling with high-energy X-ray diffraction data and molecular dynamics of a polarizable ion model

International Nuclear Information System (INIS)

Alcaraz, Olga; Trullàs, Joaquim; Tahara, Shuta; Kawakita, Yukinobu; Takeda, Shin’ichi

2016-01-01

The results of the structural properties of molten copper chloride are reported from high-energy X-ray diffraction measurements, reverse Monte Carlo modeling method, and molecular dynamics simulations using a polarizable ion model. The simulated X-ray structure factor reproduces all trends observed experimentally, in particular the shoulder at around 1 Å −1 related to intermediate range ordering, as well as the partial copper-copper correlations from the reverse Monte Carlo modeling, which cannot be reproduced by using a simple rigid ion model. It is shown that the shoulder comes from intermediate range copper-copper correlations caused by the polarized chlorides.

Annual Report 2000. Chemical Structure and Dynamics

Energy Technology Data Exchange (ETDEWEB)

Colson, Steven D.; McDowell, Robin S.

2001-04-15

This annual report describes the research and accomplishments of the Chemical Structure and Dynamics Program in the year 2000, one of six research programs at the William R. Wiley Environmental Molecular Sciences Laboratory (EMSL) - a multidisciplinary, national scientific user facility and research organization. The Chemical Structure and Dynamics (CS&D) program is meeting the need for a fundamental, molecular-level understanding by 1) extending the experimental characterization and theoretical description of chemical reactions to encompass the effects of condensed media and interfaces; 2) developing a multidisciplinary capability for describing interfacial chemical processes relevant to environmental chemistry; and 3) developing state-of-the-art research and analytical methods for characterizing complex materials of the types found in natural and contaminated systems.

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

Dynamic Response of a Floating Bridge Structure

OpenAIRE

Viuff, Thomas; Leira, Bernt Johan; Øiseth, Ole; Xiang, Xu

2016-01-01

A theoretical overview of the stochastic dynamic analysis of a floating bridge structure is presented. Emphasis is on the wave-induced response and the waves on the sea surface are idealized as a zero mean stationary Gaussian process. The first-order wave load processes are derived using linear potential theory and the structural idealization is based on the Finite Element Method. A frequency response calculation is presented for a simplified floating bridge structure example emphasising the ...

Electron irradiation effects on partially fluorinated polymer films: Structure-property relationships

International Nuclear Information System (INIS)

Nasef, Mohamed Mahmoud; Dahlan, Khairul Zaman M.

2003-01-01

The effects of electron beam irradiation on two partially fluorinated polymer films i.e. poly(vinylidene fluoride) (PVDF) and poly(ethylene-tetrafluoroethylene) copolymer (ETFE) are studied at doses ranging from 100 to 1200 kGy in air at room temperature. Chemical structure, thermal and mechanical properties of irradiated films are investigated. FTIR show that both PVDF and ETFE films undergo similar changes in their chemical structures including the formation of carbonyl groups and double bonding. The changes in melting and crystallisation temperatures (T m and T c ) in both irradiated films are functions of irradiation dose and reflect the disorder in the chemical structure caused by the competition between crosslinking and chain scission. The heat of melting (ΔH m ) and the degree of crystallinity (X c ) of PVDF films show no significant changes with the dose increase, whereas those of ETFE films are reduced rapidly after the first 100 kGy. The tensile strength of PVDF films is improved by irradiation compared to its rapid deterioration in ETFE films, which stemmed from the degradation prompted by the presence of radiation sensitive tetrafluoroethylene (TFE) comonomer units. The elongation at break of both films drops gradually with the dose increase indicating the formation of predominant crosslinked structures at high doses. However, the response of each polymer to crosslinking and main chain scission at various irradiation doses varies from PVDF to ETFE films

Principles and Overview of Sampling Methods for Modeling Macromolecular Structure and Dynamics.

Science.gov (United States)

Maximova, Tatiana; Moffatt, Ryan; Ma, Buyong; Nussinov, Ruth; Shehu, Amarda

2016-04-01

Investigation of macromolecular structure and dynamics is fundamental to understanding how macromolecules carry out their functions in the cell. Significant advances have been made toward this end in silico, with a growing number of computational methods proposed yearly to study and simulate various aspects of macromolecular structure and dynamics. This review aims to provide an overview of recent advances, focusing primarily on methods proposed for exploring the structure space of macromolecules in isolation and in assemblies for the purpose of characterizing equilibrium structure and dynamics. In addition to surveying recent applications that showcase current capabilities of computational methods, this review highlights state-of-the-art algorithmic techniques proposed to overcome challenges posed in silico by the disparate spatial and time scales accessed by dynamic macromolecules. This review is not meant to be exhaustive, as such an endeavor is impossible, but rather aims to balance breadth and depth of strategies for modeling macromolecular structure and dynamics for a broad audience of novices and experts.

DSIbin : Identifying dynamic data structures in C/C++ binaries

NARCIS (Netherlands)

Rupprecht, Thomas; Chen, Xi; White, David H.; Boockmann, Jan H.; Luttgen, Gerald; Bos, Herbert

2017-01-01

Reverse engineering binary code is notoriously difficult and, especially, understanding a binary's dynamic data structures. Existing data structure analyzers are limited wrt. program comprehension: they do not detect complex structures such as skip lists, or lists running through nodes of different

Dynamical compensation and structural identifiability of biological models: Analysis, implications, and reconciliation.

Science.gov (United States)

Villaverde, Alejandro F; Banga, Julio R

2017-11-01

The concept of dynamical compensation has been recently introduced to describe the ability of a biological system to keep its output dynamics unchanged in the face of varying parameters. However, the original definition of dynamical compensation amounts to lack of structural identifiability. This is relevant if model parameters need to be estimated, as is often the case in biological modelling. Care should we taken when using an unidentifiable model to extract biological insight: the estimated values of structurally unidentifiable parameters are meaningless, and model predictions about unmeasured state variables can be wrong. Taking this into account, we explore alternative definitions of dynamical compensation that do not necessarily imply structural unidentifiability. Accordingly, we show different ways in which a model can be made identifiable while exhibiting dynamical compensation. Our analyses enable the use of the new concept of dynamical compensation in the context of parameter identification, and reconcile it with the desirable property of structural identifiability.

Multiscale molecular dynamics simulation approaches to the structure and dynamics of viruses.

Science.gov (United States)

Huber, Roland G; Marzinek, Jan K; Holdbrook, Daniel A; Bond, Peter J

2017-09-01

Viral pathogens are a significant source of human morbidity and mortality, and have a major impact on societies and economies around the world. One of the challenges inherent in targeting these pathogens with drugs is the tight integration of the viral life cycle with the host's cellular machinery. However, the reliance of the virus on the host cell replication machinery is also an opportunity for therapeutic targeting, as successful entry- and exit-inhibitors have demonstrated. An understanding of the extracellular and intracellular structure and dynamics of the virion - as well as of the entry and exit pathways in host and vector cells - is therefore crucial to the advancement of novel antivirals. In recent years, advances in computing architecture and algorithms have begun to allow us to use simulations to study the structure and dynamics of viral ultrastructures at various stages of their life cycle in atomistic or near-atomistic detail. In this review, we outline specific challenges and solutions that have emerged to allow for structurally detailed modelling of viruses in silico. We focus on the history and state of the art of atomistic and coarse-grained approaches to simulate the dynamics of the large, macromolecular structures associated with viral infection, and on their usefulness in explaining and expanding upon experimental data. We discuss the types of interactions that need to be modeled to describe major components of the virus particle and advances in modelling techniques that allow for the treatment of these systems, highlighting recent key simulation studies. Copyright © 2016 Elsevier Ltd. All rights reserved.

Structure-based control of complex networks with nonlinear dynamics.

Science.gov (United States)

Zañudo, Jorge Gomez Tejeda; Yang, Gang; Albert, Réka

2017-07-11

What can we learn about controlling a system solely from its underlying network structure? Here we adapt a recently developed framework for control of networks governed by a broad class of nonlinear dynamics that includes the major dynamic models of biological, technological, and social processes. This feedback-based framework provides realizable node overrides that steer a system toward any of its natural long-term dynamic behaviors, regardless of the specific functional forms and system parameters. We use this framework on several real networks, identify the topological characteristics that underlie the predicted node overrides, and compare its predictions to those of structural controllability in control theory. Finally, we demonstrate this framework's applicability in dynamic models of gene regulatory networks and identify nodes whose override is necessary for control in the general case but not in specific model instances.

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

International Nuclear Information System (INIS)

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

1993-01-01

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

Comparative videostroboscopic analysis after different external partial laryngectomies

Directory of Open Access Journals (Sweden)

Mumović Gordana M.

2014-01-01

Full Text Available Background/Aim. After external partial laryngectomias, videostroborscopy is very usefull in evaluation of postoperative phonatory mehanisms showing the “slow motion” of the vibrations of the remaining laryngeal structures. The aim of this paper was to compare the videostroboscopic characteristics of the vibration and to establish the differences in the phonation mechanisms depending on the type of external partial laryngectomy performed. Methods. This prospective study was conducted during the period 2003-2009 at the Ear, Nose and Throat Clinic, Clinical Center of Vojvodina, Novi Sad, including 99 patients with laryngeal carcinoma, treated with open surgical approach using different types of vertical and horizontal partial laryngectomy. Videostroboscopy was used to analyse vibrations of the remaining laryngeal structures. Results. The dominant vibration structure after partial horizontal laryngectomy, chordectomy, frontolateral laryngectomy and three quarter laryngectomy was the remaining vocal fold, after hemilaryngectomy it was the false vocal fold and after subtotal and near total laryngectomy it was the arythenoid. In patients with supracricoid hemilaryngopharyngectomy performed, many different structures were involved in the vibration. After most of the partial laryngectomies, vibrations can be found in the reconstructed part of the defect. In both horizontal and vertical partial laryngectomies movements of the larynx during phonation were mostly medial, while in cricohyoidoglottopexies they were anterior-posterior. Most of the operated patients (72.7% had insufficient occlusion of the neoglottis during the phonation. Conclusion. Videostroboscopy is a useful method in examining the phonation mechanisms of reconstructed laryngeal structures after partial laryngectomy as well as in planning postoperative voice therapy.

The flow field structure of highly stabilized partially premixed flames in a concentric flow conical nozzle burner with coflow

KAUST Repository

Elbaz, Ayman M.

2015-08-29

The stability limits, the stabilization mechanism, and the flow field structure of highly stabilized partially premixed methane flames in a concentric flow conical nozzle burner with air co-flow have been investigated and presented in this work. The stability map of partial premixed flames illustrates that the flames are stable between two extinction limits. A low extinction limit when partial premixed flames approach non-premixed flame conditions, and a high extinction limit, with the partial premixed flames approach fully premixed flame conditions. These two limits showed that the most stable flame conditions are achieved at a certain degree of partial premixed. The stability is improved by adding air co-flow. As the air co-flow velocity increases the most stable flames are those that approach fully premixed. The turbulent flow field of three flames at 0, 5, 10 m/s co-flow velocity are investigated using Stereo Particle Image Velocimetry (SPIV) in order to explore the improvement of the flame stability due to the use of air co-flow. The three flames are all at a jet equivalence ratio (Φj) of 2, fixed level of partial premixing and jet Reynolds number (Rej) of 10,000. The use of co-flow results in the formation of two vortices at the cone exit. These vortices act like stabilization anchors for the flames to the nozzle tip. With these vortices in the flow field, the reaction zone shifts toward the reduced turbulence intensity at the nozzle rim of the cone. Interesting information about the structure of the flow field with and without co-flow are identified and reported in this work.

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

Dynamics and structure of ignition process in plasma. Ignition dynamics and structure of laboratory plasmas

International Nuclear Information System (INIS)

Nagasaki, Kazunobu; Takamura, Shuichi; Razzak, Md. Abdur; Uesugi, Yoshihiko; Yoshimura, Yasuo; Cappa, Alvaro

2008-01-01

The dynamics and structure of plasma production are stated by the results of two experiments such as the radio frequency thermal plasmas produced by inductively coupled plasma technique at atmospheric pressure and the second harmonic ECH. The first experiment results explained transition from the electrostatic discharge mode of forming streamer to the induced discharge mode after forming the discharge channel that the streamer connected to in the azimuth direction. The other experiment explained the dynamics which the initial plasma produced at the ECH resonance point spread in the direction of radius. The divergence and transition related to the nonlinear process were observed independently existing the magnetic field or incident power. The experiment devices, conditions, results, and modeling are reported. (S.Y.)

Adaptive control of structural balance for complex dynamical networks based on dynamic coupling of nodes

Science.gov (United States)

Gao, Zilin; Wang, Yinhe; Zhang, Lili

2018-02-01

In the existing research results of the complex dynamical networks controlled, the controllers are mainly used to guarantee the synchronization or stabilization of the nodes’ state, and the terms coupled with connection relationships may affect the behaviors of nodes, this obviously ignores the dynamic common behavior of the connection relationships between the nodes. In fact, from the point of view of large-scale system, a complex dynamical network can be regarded to be composed of two time-varying dynamic subsystems, which can be called the nodes subsystem and the connection relationships subsystem, respectively. Similar to the synchronization or stabilization of the nodes subsystem, some characteristic phenomena can be also emerged in the connection relationships subsystem. For example, the structural balance in the social networks and the synaptic facilitation in the biological neural networks. This paper focuses on the structural balance in dynamic complex networks. Generally speaking, the state of the connection relationships subsystem is difficult to be measured accurately in practical applications, and thus it is not easy to implant the controller directly into the connection relationships subsystem. It is noted that the nodes subsystem and the relationships subsystem are mutually coupled, which implies that the state of the connection relationships subsystem can be affected by the controllable state of nodes subsystem. Inspired by this observation, by using the structural balance theory of triad, the controller with the parameter adaptive law is proposed for the nodes subsystem in this paper, which may ensure the connection relationship matrix to approximate a given structural balance matrix in the sense of the uniformly ultimately bounded (UUB). That is, the structural balance may be obtained by employing the controlling state of the nodes subsystem. Finally, the simulations are used to show the validity of the method in this paper.

Effect of support conditions on structural response under dynamic loading

International Nuclear Information System (INIS)

Akram, T.; Memon, S.A.

2008-01-01

In design practice, dynamic structural analysis is carried out with base of structure considered as fixed; this means that foundation is placed on rock like soil material. While conducting this type of analyses the role of foundation and soil behaviour is totally neglected. The actions in members and loads transferred at foundation level obtained in this manner do not depict the true structural behaviour. FEM (Finite Element Methods) analysis where both superstructure and foundation soil are coupled together is quite complicated and expensive for design environments. A simplified model is required to depict dynamic response of structures with foundations based on flexible soils. The primary purpose of this research is to compare the superstructure dynamic responses of structural systems with fixed base to that of simple soil model base. The selected simple soil model is to be suitable for use in a design environment to give more realistic results. For this purpose building models are idealized with various heights and structural systems in both 2D (Two Dimensional) and 3D (Three Dimensional) space. These models are then provided with visco-elastic supports representing three soil bearing capacities and the analysis results are compared to that of fixed supports models. The results indicate that fixed support system underestimates natural time period of the structures. Dynamic behavior and force response of visco-elastic support is different from fixed support model. Fixed support models result in over designed base columns and under designed beams. (author)

Friends and foes : The dynamics of dual social structures

NARCIS (Netherlands)

Sytch, M.; Tatarynowicz, A.

2014-01-01

This paper investigates the evolutionary dynamics of a dual social structure encompassing collaboration and conflict among corporate actors. We apply and advance structural balance theory to examine the formation of balanced and unbalanced dyadic and triadic structures, and to explore how these

Numerical solution of a non-linear conservation law applicable to the interior dynamics of partially molten planets

Science.gov (United States)

Bower, Dan J.; Sanan, Patrick; Wolf, Aaron S.

2018-01-01

The energy balance of a partially molten rocky planet can be expressed as a non-linear diffusion equation using mixing length theory to quantify heat transport by both convection and mixing of the melt and solid phases. Crucially, in this formulation the effective or eddy diffusivity depends on the entropy gradient, ∂S / ∂r , as well as entropy itself. First we present a simplified model with semi-analytical solutions that highlights the large dynamic range of ∂S / ∂r -around 12 orders of magnitude-for physically-relevant parameters. It also elucidates the thermal structure of a magma ocean during the earliest stage of crystal formation. This motivates the development of a simple yet stable numerical scheme able to capture the large dynamic range of ∂S / ∂r and hence provide a flexible and robust method for time-integrating the energy equation. Using insight gained from the simplified model, we consider a full model, which includes energy fluxes associated with convection, mixing, gravitational separation, and conduction that all depend on the thermophysical properties of the melt and solid phases. This model is discretised and evolved by applying the finite volume method (FVM), allowing for extended precision calculations and using ∂S / ∂r as the solution variable. The FVM is well-suited to this problem since it is naturally energy conserving, flexible, and intuitive to incorporate arbitrary non-linear fluxes that rely on lookup data. Special attention is given to the numerically challenging scenario in which crystals first form in the centre of a magma ocean. The computational framework we devise is immediately applicable to modelling high melt fraction phenomena in Earth and planetary science research. Furthermore, it provides a template for solving similar non-linear diffusion equations that arise in other science and engineering disciplines, particularly for non-linear functional forms of the diffusion coefficient.

Structural Study of the Partially Disordered Full-Length delta Subunit of RNA Polymerase from Bacillus subtilis

Czech Academy of Sciences Publication Activity Database

Papoušková, V.; Kadeřávek, P.; Otrusinová, O.; Rabatinová, Alžběta; Šanderová, Hana; Nováček, J.; Krásný, Libor; Sklenář, V.; Žídek, L.

2013-01-01

Roč. 14, č. 14 (2013), s. 1772-1779 ISSN 1439-4227 R&D Projects: GA ČR GA204/09/0583; GA ČR GA13-16842S Institutional support: RVO:61388971 Keywords : NMR spectroscopy * partially disordered proteins * protein structures Subject RIV: CE - Biochemistry Impact factor: 3.060, year: 2013

Discretization model for nonlinear dynamic analysis of three dimensional structures

International Nuclear Information System (INIS)

Hayashi, Y.

1982-12-01

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

The equilibrium structures of the 90{sup 0} partial dislocation in silicon

Energy Technology Data Exchange (ETDEWEB)

Valladares, Alexander; Sutton, A P [Materials Modelling Laboratory, Department of Materials, University of Oxford, OX1 3PH (United Kingdom)

2005-12-07

We consider the free energies of the single-period (SP) and double-period (DP) core reconstructions of the straight 90{sup 0} partial dislocation in silicon. The vibrational contributions are calculated with a harmonic model. It is found that it leads to a diminishing difference between the free energies of the two core reconstructions with increasing temperature. The question of the relative populations of SP and DP reconstructions in a single straight 90{sup 0} partial dislocation is solved by mapping the problem onto a one-dimensional Ising model in a magnetic field. The model contains only two parameters and is solved analytically. It leads to the conclusion that for the majority of the published energy differences between the SP and DP reconstructions the equilibrium core structure is dominated by the DP reconstruction at all temperatures up to the melting point. We review whether it is possible to distinguish between the SP and DP reconstructions experimentally, both in principle and in practice. We conclude that aberration corrected transmission electron microscopy should be able to distinguish between these two core reconstructions, but published high resolution micrographs do not allow the distinction to be made.

First-principles molecular dynamics for metals

International Nuclear Information System (INIS)

Fernando, G.W.; Qian, G.; Weinert, M.; Davenport, J.W.

1989-01-01

A Car-Parrinello-type first-principles molecular-dynamics approach capable of treating the partial occupancy of electronic states that occurs at the Fermi level in a metal is presented. The algorithms used to study metals are both simple and computationally efficient. We also discuss the connection between ordinary electronic-structure calculations and molecular-dynamics simulations as well as the role of Brillouin-zone sampling. This extension should be useful not only for metallic solids but also for solids that become metals in their liquid and/or amorphous phases

Dynamic analysis of the BPX machine structure

International Nuclear Information System (INIS)

Dahlgen, F.; Citrolo, J.; Knutson, D.; Kalish, M.

1992-01-01

A preliminary analysis of the response of the BPX machine structure to a seismic input was performed. MSC/NASTRAN 5 , a general purpose XXX element computer code, has been used. The purpose of this paper is to assess the probable range of seismically induced stresses and deflections in the machine substructure which connects the machine to the test cell floor, with particular emphasis on the shear pins which will be used to attach the TF coil modules to the machine substructure (for a more detailed description of the shear pins and structure see ref. 4 in these proceedings). The model was developed with sufficient detail to be used subsequently to investigate the transient response to various dynamic loading conditions imposed on the structure by the PF, TF, and Vacuum Vessel, during normal and off-normal operations. The model does not include the mass and stiffness of the building or the building-soil interaction and as such can only be considered an interim assessment of the dynamic response of the machine to the S.S.E.(this is the Safe Shutdown Earthquake which is also the Design XXX Earthquake for all major structural components)

Discrete variational derivative method a structure-preserving numerical method for partial differential equations

CERN Document Server

Furihata, Daisuke

2010-01-01

Nonlinear Partial Differential Equations (PDEs) have become increasingly important in the description of physical phenomena. Unlike Ordinary Differential Equations, PDEs can be used to effectively model multidimensional systems. The methods put forward in Discrete Variational Derivative Method concentrate on a new class of ""structure-preserving numerical equations"" which improves the qualitative behaviour of the PDE solutions and allows for stable computing. The authors have also taken care to present their methods in an accessible manner, which means that the book will be useful to engineer

Dynamic instability of imperfect laminated sandwich plates with in-plane partial edge load

Directory of Open Access Journals (Sweden)

Anupam Chakrabarti

Full Text Available Dynamic instability of laminated sandwich plates having inter-laminar imperfections with in-plane partial edge loading is studied for the first time using an efficient finite element plate model. The plate model is based on a refined higher order shear deformation plate theory, where the transverse shear stresses are continuous at the layer interfaces with stress free conditions at plate top and bottom surfaces. A linear spring-layer model is used to model the inter-laminar imperfection by considering in-plane displacement jumps at the interfaces. Interestingly the plate model having all these refined features requires unknowns at the reference plane only. However, this theory requires C1 continuity of transverse displacement (w i.e., w and its derivatives should be continuous at the common edges between two elements, which is difficult to satisfy arbitrarily in any existing finite element. To deal with this, a new triangular element developed by the authors is used in the present paper.

Dynamics and stability of radiation-driven double ablation front structures

International Nuclear Information System (INIS)

Drean, V.; Olazabal-Loume, M.; Tikhonchuk, V. T.; Sanz, J.

2010-01-01

The dynamics of double ablation front (DAF) structures is studied for planar targets with moderate atomic number ablators. These structures are obtained in hydrodynamic simulations for various materials and laser intensities and are qualitatively characterized during the acceleration stage of the target. The importance of the radiative transport for the DAF dynamics is then demonstrated. Simulated hydrodynamic profiles are compared with a theoretical model, showing the consistency of the model and the relevant parameters for the dynamics description. The stability of DAF structures with respect to two-dimensional perturbations is studied using two different approaches: one considers the assumptions of the theoretical model and the other one a more complete physics. The numerical simulations performed with both approaches demonstrate good agreement of dispersion curves.

Development of a perpendicular vibration-induced electrical discharge machining process for fabrication of partially wavy inner structures

Energy Technology Data Exchange (ETDEWEB)

Lee, Ju Chul; Park, Sang Hu; Min, June Kee; Ha, Man Yeong; Shin, Bo Sung [Pusan National University, Busan (Korea, Republic of); Cho, Jong Rae [Korea Maritime University, Busan (Korea, Republic of)

2016-05-15

Heat transfer enhancement is an important issue in energy systems. To improve the efficiency of a cooling channel used inside injection molds, turbine blades, and high-temperature devices, channels with various shapes, such as wavy, elliptical, and twisted, have been studied. A cooling channel with a partially wavy inner structure has shown outstanding cooling performance despite a small increase in friction factor. However, generating a partially wavy inner structure inside a channel through conventional machining processes is not easy. To address this problem, we developed a new process called Perpendicular vibration-induced electrical discharge machining (PV-EDM). A specific electrode and one- and random-directional vibrating devices controlled by a pneumatic load were designed for the PV-EDM process. Experimental results showed that local shaping on the inner wall of a channel is possible, which confirmed the possibility of application of this process to actual industrial problems.

Carrier relaxation dynamics in InAs/InGaAlAs quantum dashes

KAUST Repository

Ryasnyanskiy, A.I.; Biaggio, I.; Djie, Hery Susanto; Ooi, Boon S.; Tan, C.L.

2011-01-01

We characterize size-dependent carrier relaxation dynamics of partial laser structures containing quantum dashes by time-resolved degenerate four wave mixing between 1.2 and 1.6 ?m. © 2010 Elsevier B.V. All rights reserved.

Carrier relaxation dynamics in InAs/InGaAlAs quantum dashes

KAUST Repository

Ryasnyanskiy, A.I.

2011-03-01

We characterize size-dependent carrier relaxation dynamics of partial laser structures containing quantum dashes by time-resolved degenerate four wave mixing between 1.2 and 1.6 ?m. © 2010 Elsevier B.V. All rights reserved.

Dynamic analysis of CHASNUPP steam generator structure during shipping

International Nuclear Information System (INIS)

Han Liangbi; Xu Jinkang; Zhou Meiwu; He Yinbiao

1998-07-01

The dynamic analysis of CHASNUPP steam generator during shipping is described, including the simplified mathematical model, acceleration power spectrum of ocean wave induced random vibration, the dynamic analysis of steam generator structure under random loading, the applied computer code and calculated results

Full scale dynamic testing of Paks nuclear power plant structures

International Nuclear Information System (INIS)

Da Rin, E.M.

1995-01-01

This report refers to the full-scale dynamic structural testing activities that have been performed in December 1994 at the Paks (H) Nuclear Power Plant, within the framework of: the IAEA Coordinated research Programme 'Benchmark Study for the Seismic Analysis and Testing of WWER-type Nuclear Power Plants, and the nuclear research activities of ENEL-WR/YDN, the Italian National Electricity Board in Rome. The specific objective of the conducted investigation was to obtain valid data on the dynamic behaviour of the plant's major constructions, under normal operating conditions, for enabling an assessment of their actual seismic safety to be made. As described in more detail hereafter, the Paks NPP site has been subjected to low level earthquake like ground shaking, through appropriately devised underground explosions, and the dynamic response of the plant's 1 st reactor unit important structures was appropriately measured and digitally recorded. In-situ free field response was measured concurrently and, moreover, site-specific geophysical and seismological data were simultaneously acquired too. The above-said experimental data is to provide basic information on the geophysical and seismological characteristics of the Paks NPP site, together with useful reference information on the true dynamic characteristics of its main structures and give some indications on the actual dynamic soil-structure interaction effects for the case of low level excitation

The Dynamic Similitude Design Method of Thin Walled Structures and Experimental Validation

Directory of Open Access Journals (Sweden)

Zhong Luo

2016-01-01

Full Text Available For the applicability of dynamic similitude models of thin walled structures, such as engine blades, turbine discs, and cylindrical shells, the dynamic similitude design of typical thin walled structures is investigated. The governing equation of typical thin walled structures is firstly unified, which guides to establishing dynamic scaling laws of typical thin walled structures. Based on the governing equation, geometrically complete scaling law of the typical thin walled structure is derived. In order to determine accurate distorted scaling laws of typical thin walled structures, three principles are proposed and theoretically proved by combining the sensitivity analysis and governing equation. Taking the thin walled annular plate as an example, geometrically complete and distorted scaling laws can be obtained based on the principles of determining dynamic scaling laws. Furthermore, the previous five orders’ accurate distorted scaling laws of thin walled annular plates are presented and numerically validated. Finally, the effectiveness of the similitude design method is validated by experimental annular plates.

Dynamic analysis on market structure of China's coal industry

International Nuclear Information System (INIS)

Yang, Qing; Zhang, Lei; Wang, Xin

2017-01-01

According to industrial organization theory, market structure is a crucial factor to market performance. Based on the VAR model and the data from 1994 to 2014, we revealed the dynamic response route of the market structure to these factors and the change process of contribution rate of these factors to the market structure. It shows that market structure is inertial adjustment; technology advance and industry policy have continuous effects on improvement of market concentration ratio; market size and production scale have sustained negative effects on market concentration ratio; fixed capital has barrier effect, which is mainly the entry barrier effect at the beginning, and then the exit barrier effect continues to play a leading role. Therefore, the government has no need to introduce special policies to encourage merger or expansion on the capacity as enterprises would do it spontaneously; it is necessary to make market access system stricter, to improve exit compensation mechanism and to promote technological innovation; all these policies need dynamic adjustment based on the stages of economic cycle. - Highlights: • The adjustment mechanism of China's coal market structure is revealed. • Technology and industry policy are significant factors to optimize the market structure. • The government need not introduce special policy to encourage merger. • The market access system should be stricter. • Policies strength should be dynamically adjusted based on the economic cycle.

Molecular dynamic analysis of the structure of dendrimers

Energy Technology Data Exchange (ETDEWEB)

Canetta, E.; Maino, G. E-mail: maino@bologna.enea.it

2004-01-01

We present main results of molecular dynamics simulations that we have carried out in order to investigate structural properties of polyamidoamine (PAMAM) dendrimers. Obtained data confirm the PAMAM dendrimer structure proposed by experiments, performed by means of X-ray scattering (SAXS) and quasi-elastic light scattering (QELS) techniques.

Molecular dynamic analysis of the structure of dendrimers

International Nuclear Information System (INIS)

Canetta, E.; Maino, G.

2004-01-01

We present main results of molecular dynamics simulations that we have carried out in order to investigate structural properties of polyamidoamine (PAMAM) dendrimers. Obtained data confirm the PAMAM dendrimer structure proposed by experiments, performed by means of X-ray scattering (SAXS) and quasi-elastic light scattering (QELS) techniques

4D Biofabrication of Branching Multicellular Structures: A Morphogenesis Simulation Based on Turing’s Reaction-Diffusion Dynamics

Science.gov (United States)

Zhu, Xiaolu; Yang, Hao

2017-12-01

The recently emerged four-dimensional (4D) biofabrication technique aims to create dynamic three-dimensional (3D) biological structures that can transform their shapes or functionalities with time when an external stimulus is imposed or when cell postprinting self-assembly occurs. The evolution of 3D pattern of branching geometry via self-assembly of cells is critical for 4D biofabrication of artificial organs or tissues with branched geometry. However, it is still unclear that how the formation and evolution of these branching pattern are biologically encoded. We study the 4D fabrication of lung branching structures utilizing a simulation model on the reaction-diffusion mechanism, which is established using partial differential equations of four variables, describing the reaction and diffusion process of morphogens with time during the development process of lung branching. The simulation results present the forming process of 3D branching pattern, and also interpret the behaviors of side branching and tip splitting as the stalk growing, through 3D visualization of numerical simulation.

Dynamic conductivity and partial ionization in dense fluid hydrogen

Science.gov (United States)

Zaghoo, Mohamed

2018-04-01

A theoretical description for optical conduction experiments in dense fluid hydrogen is presented. Different quantum statistical approaches are used to describe the mechanism of electronic transport in hydrogen's high-temperature dense phase. We show that at the onset of the metallic transition, optical conduction could be described by a strong rise in atomic polarizability, due to increased ionization, whereas in the highly degenerate limit, the Ziman weak scattering model better accounts for the observed saturation of reflectance. The inclusion of effects of partial ionization in the highly degenerate region provides great agreement with experimental results. Hydrogen's fluid metallic state is revealed to be a partially ionized free-electron plasma. Our results provide some of the first theoretical transport models that are experimentally benchmarked, as well as an important guide for future studies.

A Data-Driven Response Virtual Sensor Technique with Partial Vibration Measurements Using Convolutional Neural Network

Science.gov (United States)

Sun, Shan-Bin; He, Yuan-Yuan; Zhou, Si-Da; Yue, Zhen-Jiang

2017-01-01

Measurement of dynamic responses plays an important role in structural health monitoring, damage detection and other fields of research. However, in aerospace engineering, the physical sensors are limited in the operational conditions of spacecraft, due to the severe environment in outer space. This paper proposes a virtual sensor model with partial vibration measurements using a convolutional neural network. The transmissibility function is employed as prior knowledge. A four-layer neural network with two convolutional layers, one fully connected layer, and an output layer is proposed as the predicting model. Numerical examples of two different structural dynamic systems demonstrate the performance of the proposed approach. The excellence of the novel technique is further indicated using a simply supported beam experiment comparing to a modal-model-based virtual sensor, which uses modal parameters, such as mode shapes, for estimating the responses of the faulty sensors. The results show that the presented data-driven response virtual sensor technique can predict structural response with high accuracy. PMID:29231868

A Data-Driven Response Virtual Sensor Technique with Partial Vibration Measurements Using Convolutional Neural Network.

Science.gov (United States)

Sun, Shan-Bin; He, Yuan-Yuan; Zhou, Si-Da; Yue, Zhen-Jiang

2017-12-12

Measurement of dynamic responses plays an important role in structural health monitoring, damage detection and other fields of research. However, in aerospace engineering, the physical sensors are limited in the operational conditions of spacecraft, due to the severe environment in outer space. This paper proposes a virtual sensor model with partial vibration measurements using a convolutional neural network. The transmissibility function is employed as prior knowledge. A four-layer neural network with two convolutional layers, one fully connected layer, and an output layer is proposed as the predicting model. Numerical examples of two different structural dynamic systems demonstrate the performance of the proposed approach. The excellence of the novel technique is further indicated using a simply supported beam experiment comparing to a modal-model-based virtual sensor, which uses modal parameters, such as mode shapes, for estimating the responses of the faulty sensors. The results show that the presented data-driven response virtual sensor technique can predict structural response with high accuracy.

Limitations and corrections in measuring dynamic characteristics of structural systems

International Nuclear Information System (INIS)

Walter, P.L.

1978-10-01

The work deals with limitations encountered in measuring the dynamic characteristics of structural systems. Structural loading and response are measured by transducers possessing multiple resonant frequencies in their transfer function. In transient environments, the resultant signals from these transducers are shown to be analytically unpredictable in amplitude level and frequency content. Data recorded during nuclear effects simulation testing on structures are analyzed. Results of analysis can be generalized to any structure which encounters dynamic loading. Methods to improve the recorded data are described which can be implemented on a frequency selective basis during the measurement process. These improvements minimize data distortion attributable to the transfer characteristics of the measuring transducers

Dynamical Heterogeneity in Granular Fluids and Structural Glasses

Science.gov (United States)

Avila, Karina E.

Our current understanding of the dynamics of supercooled liquids and other similar slowly evolving (glassy) systems is rather limited. One aspect that is particularly poorly understood is the origin and behavior of the strong non trivial fluctuations that appear in the relaxation process toward equilibrium. Glassy systems and granular systems both present regions of particles moving cooperatively and at different rates from other regions. This phenomenon is known as spatially heterogeneous dynamics. A detailed explanation of this phenomenon may lead to a better understanding of the slow relaxation process, and perhaps it could even help to explain the presence of the glass transition. This dissertation concentrates on studying dynamical heterogeneity by analyzing simulation data for models of granular materials and structural glasses. For dissipative granular fluids, the growing behavior of dynamical heterogeneities is studied for different densities and different degrees of inelasticity in the particle collisions. The correlated regions are found to grow rapidly as the system approaches dynamical arrest. Their geometry is conserved even when probing at different cutoff length in the correlation function or when the energy dissipation in the system is increased. For structural glasses, I test a theoretical framework that models dynamical heterogeneity as originated in the presence of Goldstone modes, which emerge from a broken continuous time reparametrization symmetry. This analysis is based on quantifying the size and the spatial correlations of fluctuations in the time variable and of other kinds of fluctuations. The results obtained here agree with the predictions of the hypothesis. In particular, the fluctuations associated to the time reparametrization invariance become stronger for low temperatures, long timescales, and large coarse graining lengths. Overall, this research points to dynamical heterogeneity to be described for granular systems similarly than

Integrability and Poisson Structures of Three Dimensional Dynamical Systems and Equations of Hydrodynamic Type

Science.gov (United States)

Gumral, Hasan

Poisson structure of completely integrable 3 dimensional dynamical systems can be defined in terms of an integrable 1-form. We take advantage of this fact and use the theory of foliations in discussing the geometrical structure underlying complete and partial integrability. We show that the Halphen system can be formulated in terms of a flat SL(2,R)-valued connection and belongs to a non-trivial Godbillon-Vey class. On the other hand, for the Euler top and a special case of 3-species Lotka-Volterra equations which are contained in the Halphen system as limiting cases, this structure degenerates into the form of globally integrable bi-Hamiltonian structures. The globally integrable bi-Hamiltonian case is a linear and the sl_2 structure is a quadratic unfolding of an integrable 1-form in 3 + 1 dimensions. We complete the discussion of the Hamiltonian structure of 2-component equations of hydrodynamic type by presenting the Hamiltonian operators for Euler's equation and a continuum limit of Toda lattice. We present further infinite sequences of conserved quantities for shallow water equations and show that their generalizations by Kodama admit bi-Hamiltonian structure. We present a simple way of constructing the second Hamiltonian operators for N-component equations admitting some scaling properties. The Kodama reduction of the dispersionless-Boussinesq equations and the Lax reduction of the Benney moment equations are shown to be equivalent by a symmetry transformation. They can be cast into the form of a triplet of conservation laws which enable us to recognize a non-trivial scaling symmetry. The resulting bi-Hamiltonian structure generates three infinite sequences of conserved densities.

Dynamic Error Analysis Method for Vibration Shape Reconstruction of Smart FBG Plate Structure

Directory of Open Access Journals (Sweden)

Hesheng Zhang

2016-01-01

Full Text Available Shape reconstruction of aerospace plate structure is an important issue for safe operation of aerospace vehicles. One way to achieve such reconstruction is by constructing smart fiber Bragg grating (FBG plate structure with discrete distributed FBG sensor arrays using reconstruction algorithms in which error analysis of reconstruction algorithm is a key link. Considering that traditional error analysis methods can only deal with static data, a new dynamic data error analysis method are proposed based on LMS algorithm for shape reconstruction of smart FBG plate structure. Firstly, smart FBG structure and orthogonal curved network based reconstruction method is introduced. Then, a dynamic error analysis model is proposed for dynamic reconstruction error analysis. Thirdly, the parameter identification is done for the proposed dynamic error analysis model based on least mean square (LMS algorithm. Finally, an experimental verification platform is constructed and experimental dynamic reconstruction analysis is done. Experimental results show that the dynamic characteristics of the reconstruction performance for plate structure can be obtained accurately based on the proposed dynamic error analysis method. The proposed method can also be used for other data acquisition systems and data processing systems as a general error analysis method.

Chemical structure and dynamics. Annual report 1995

Energy Technology Data Exchange (ETDEWEB)

Colson, S.D.; McDowell, R.S.

1996-05-01

The Chemical Structure and Dynamics program is a major component of Pacific Northwest National Laboratory`s Environmental Molecular Sciences Laboratory (EMSL), providing a state-of-the-art collaborative facility for studies of chemical structure and dynamics. We respond to the need for a fundamental, molecular-level understanding of chemistry at a wide variety of environmentally important interfaces by (1) extending the experimental characterization and theoretical description of chemical reactions to encompass the effects of condensed media and interfaces; (2) developing a multidisciplinary capability for describing interfacial chemical processes within which the new knowledge generated can be brought to bear on complex phenomena in environmental chemistry and in nuclear waste processing and storage; and (3) developing state-of-the-art analytical methods for the characterization of waste tanks and pollutant distributions, and for detection and monitoring of trace atmospheric species.

Modeling Insurgent Network Structure and Dynamics

Science.gov (United States)

Gabbay, Michael; Thirkill-Mackelprang, Ashley

2010-03-01

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

Structural dynamics of N-ethylpropionamide clusters examined by nonlinear infrared spectroscopy

International Nuclear Information System (INIS)

Wang, Jianping; Yang, Fan; Zhao, Juan; Shi, Jipei

2015-01-01

In this work, the structural dynamics of N-ethylpropionamide (NEPA), a model molecule of β-peptides, in four typical solvents (DMSO, CH 3 CN, CHCl 3 , and CCl 4 ), were examined using the N—H stretching vibration (or the amide-A mode) as a structural probe. Steady-state and transient infrared spectroscopic methods in combination with quantum chemical computations and molecular dynamics simulations were used. It was found that in these solvents, NEPA exists in different aggregation forms, including monomer, dimer, and oligomers. Hydrogen-bonding interaction and local-solvent environment both affect the amide-A absorption profile and its vibrational relaxation dynamics and also affect the structural dynamics of NEPA. In particular, a correlation between the red-shifted frequency for the NEPA monomer from nonpolar to polar solvent and the vibrational excitation relaxation rate of the N—H stretching mode was observed

Advances in nonlinear partial differential equations and stochastics

CERN Document Server

Kawashima, S

1998-01-01

In the past two decades, there has been great progress in the theory of nonlinear partial differential equations. This book describes the progress, focusing on interesting topics in gas dynamics, fluid dynamics, elastodynamics etc. It contains ten articles, each of which discusses a very recent result obtained by the author. Some of these articles review related results.

Kinetic and structural fragility—a correlation between structures and dynamics in metallic liquids and glasses

International Nuclear Information System (INIS)

Kelton, K F

2017-01-01

The liquid phase remains poorly understood. In many cases, the densities of liquids and their crystallized solid phases are similar, but since they are amorphous they lack the spatial order of the solid. Their dynamical properties change remarkably over a very small temperature range. At high temperatures, near their melting temperature, liquids flow easily under shear. However, only a few hundred degrees lower flow effectively ceases, as the liquid transforms into a solid-like glass. This temperature-dependent dynamical behavior is frequently characterized by the concept of kinetic fragility (or, generally, simply fragility). Fragility is believed to be an important quantity in glass formation, making it of significant practical interest. The microscopic origin of fragility remains unclear, however, making it also of fundamental interest. It is widely (although not uniformly) believed that the dynamical behavior is linked to the atomic structure of the liquid, yet experimental studies show that although the viscosity changes by orders of magnitude with temperature, the structural change is barely perceptible. In this article the concept of fragility is discussed, building to a discussion of recent results in metallic glass-forming liquids that demonstrate the presumed connection between structural and dynamical changes. In particular, it becomes possible to define a structural fragility parameter that can be linked with the kinetic fragility. (topical review)

Metastable structures and size effects in small group dynamics

Directory of Open Access Journals (Sweden)

Rosapia eLauro Grotto

2014-07-01

Full Text Available In his seminal works on group dynamics Bion defined a specific therapeutic setting allowing psychoanalytic observations on group phenomena. In describing the setting he proposed that the group was where his voice arrived. This physical limit was later made operative by assuming that the natural dimension of a therapeutic group is around 12 people. Bion introduced a theory of the group aspects of the mind in which proto-mental individual states spontaneously evolve into shared psychological states that are characterized by a series of features: 1 they emerge as a consequence of the natural tendency of (both conscious and unconscious emotions to combine into structured group patterns; 2 they have a certain degree of stability in time; 3 they tend to alternate so that the dissolution of one is rapidly followed by the emergence of another; 4 they can be described in qualitative terms according to the nature of the emotional mix that dominates the state, in structural terms by a kind of typical 'leadership’ pattern, and in 'cognitive’ terms by a set of implicit expectations that are helpful in explaining the group behavior (i.e. the group behaves 'as if’ it was assuming that…. Here we adopt a formal approach derived from Socio-physics in order to explore some of the structural and dynamic properties of this small group dynamics. We will described data from an analytic DS model simulating small group interactions of agents endowed with a very simplified emotional and cognitive dynamic in order to assess the following main points: 1 are metastable collective states allowed to emerge in the model and if so, under which conditions in the parameter space? 3 can these states be differentiated in structural terms? 3 to what extent are the emergent dynamic features of the systems dependent of the system size? We will finally discuss possible future applications of the quantitative descriptions of the interaction structure in the small group clinical

Metastable structures and size effects in small group dynamics.

Science.gov (United States)

Lauro Grotto, Rosapia; Guazzini, Andrea; Bagnoli, Franco

2014-01-01

In his seminal works on group dynamics Bion defined a specific therapeutic setting allowing psychoanalytic observations on group phenomena. In describing the setting he proposed that the group was where his voice arrived. This physical limit was later made operative by assuming that the natural dimension of a therapeutic group is around 12 people. Bion introduced a theory of the group aspects of the mind in which proto-mental individual states spontaneously evolve into shared psychological states that are characterized by a series of features: (1) they emerge as a consequence of the natural tendency of (both conscious and unconscious) emotions to combine into structured group patterns; (2) they have a certain degree of stability in time; (3) they tend to alternate so that the dissolution of one is rapidly followed by the emergence of another; (4) they can be described in qualitative terms according to the nature of the emotional mix that dominates the state, in structural terms by a kind of typical "leadership" pattern, and in "cognitive" terms by a set of implicit expectations that are helpful in explaining the group behavior (i.e., the group behaves "as if" it was assuming that). Here we adopt a formal approach derived from Socio-physics in order to explore some of the structural and dynamic properties of this small group dynamics. We will described data from an analytic DS model simulating small group interactions of agents endowed with a very simplified emotional and cognitive dynamic in order to assess the following main points: (1) are metastable collective states allowed to emerge in the model and if so, under which conditions in the parameter space? (2) can these states be differentiated in structural terms? (3) to what extent are the emergent dynamic features of the systems dependent of the system size? We will finally discuss possible future applications of the quantitative descriptions of the interaction structure in the small group clinical setting.

Lagged and instantaneous dynamical influences related to brain structural connectivity

Directory of Open Access Journals (Sweden)

Carmen eAlonso Montes

2015-07-01

Full Text Available Contemporary neuroimaging methods can shed light on the basis of human neural and cognitive specializations, with important implications for neuroscience and medicine. Indeed, different MRI acquisitions provide different brain networks at the macroscale; whilst diffusion-weighted MRI (dMRI provides a structural connectivity (SC coincident with the bundles of parallel fibers between brain areas, functional MRI (fMRI accounts for the variations in the blood-oxygenation-level-dependent T2* signal, providing functional connectivity (FC. Understanding the precise relation between FC and SC, that is, between brain dynamics and structure, is still a challenge for neuroscience.To investigate this problem, we acquired data at rest and built the corresponding SC (with matrix elements corresponding to the fiber number between brain areas to be compared with FC connectivity matrices obtained by three different methods: directed dependencies by an exploratory version of structural equation modeling (eSEM, linear correlations (C and partial correlations (PC. We also considered the possibility of using lagged correlations in time series; in particular, we compared a lagged version of eSEM and Granger causality (GC. Our results were two-fold: firstly, eSEM performance in correlating with SC was comparable to those obtained from C and PC, but eSEM (not C, nor PC provides information about directionality of the functional interactions. Second, interactions on a time scale much smaller than the sampling time, captured by instantaneous connectivity methods, are much more related to SC than slow directed influences captured by the lagged analysis. Indeed the performance in correlating with SC was much worse for GC and for the lagged version of eSEM. We expect these results to supply further insights to the interplay between SC and functional patterns, an important issue in the study of brain physiology and function.

Effects of demographic structure on key properties of stochastic density-independent population dynamics.

Science.gov (United States)

Vindenes, Yngvild; Sæther, Bernt-Erik; Engen, Steinar

2012-12-01

The development of stochastic demography has largely been based on age structured populations, although other types of demographic structure, especially permanent and dynamic heterogeneity, are likely common in natural populations. The combination of stochasticity and demographic structure is a challenge for analyses of population dynamics and extinction risk, because the population structure will fluctuate around the stable structure and the population size shows transient fluctuations. However, by using a diffusion approximation for the total reproductive value, density-independent dynamics of structured populations can be described with only three population parameters: the expected population growth rate, the environmental variance and the demographic variance. These parameters depend on population structure via the state-specific vital rates and transition rates. Once they are found, the diffusion approximation represents a substantial reduction in model complexity. Here, we review and compare the key population parameters across a wide range of demographic structure, from the case of no structure to the most general case of dynamic heterogeneity, and for both discrete and continuous types. We focus on the demographic variance, but also show how environmental stochasticity can be included. This study brings together results from recent models, each considering a specific type of population structure, and places them in a general framework for structured populations. Comparison across different types of demographic structure reveals that the reproductive value is an essential concept for understanding how population structure affects stochastic dynamics and extinction risk. Copyright © 2011 Elsevier Inc. All rights reserved.

Structure of Unsteady Partially Premixed Flames and the Existence of State Relationships

Directory of Open Access Journals (Sweden)

Suresh K. Aggarwal

2009-09-01

Full Text Available In this study, we examine the structure and existence of state relationships in unsteady partially premixed flames (PPFs subjected to buoyancy-induced and external perturbations. A detailed numerical model is employed to simulate the steady and unsteady two-dimensional PPFs established using a slot burner under normal and zero-gravity conditions. The coflow velocity is parametrically varied. The methane-air chemistry is modeled using a fairly detailed mechanism that contains 81 elementary reactions and 24 species. Validation of the computational model is provided through comparisons of predictions with nonintrusive measurements. The combustion proceeds in two reaction zones, one a rich premixed zone and the other a nonpremixed zone. These reaction zones are spatially separated, but involve strong interactions between them due to thermochemistry and scalar transport. The fuel is mostly consumed in the premixed zone to produce CO and H2, which are transported to and consumed in the nonpremixed zone. The nonpremixed zone in turn provides heat and H-atoms to the premixed zone. For the range of conditions investigated, the zero-g partially premixed flames exhibit a stable behavior and a remarkably strong resistance to perturbations. In contrast, the corresponding normal-gravity flames exhibit oscillatory behavior at low coflow velocities but a stable behavior at high coflow velocities, and the behavior can be explained in terms of a global and convective instabilities. The effects of coflow and gravity on the flames are characterized through a parameter VR, defined as the ratio of coflow velocity to jet velocity. For VR ≤ 1 (low coflow velocity regime, the structures of both 0- and 1-g flames are strongly sensitive to changes in VR, while they are only mildly affected by coflow in the high coflow velocity regime (VR > 1. In addition, the spatio-temporal characteristics of the 0- and 1-g flames are markedly different in the first regime, but are

Partial synchronization of different chaotic oscillators using robust PID feedback

Energy Technology Data Exchange (ETDEWEB)

Aguilar-Lopez, Ricardo [Departamento de Energia, Universidad Autonoma Metropolitana - Azcapotzalco, San Pablo 180, Reynosa-Tamaulipas, Azcapotzalco, 02200 Mexico, D.F. (Mexico)]. E-mail: raguilar@correo.azc.uam.mx; Martinez-Guerra, Rafael [Departamento de Control Automatico, CINVESTAV IPN, Apartado Postal 14-740, Mexico, D.F. C.P. 07360 (Mexico)]. E-mail: rguerra@ctrl.cinvestav.mx

2007-07-15

This work deals with the partial synchronization problem of two different chaotic oscillators considering model uncertainties in the slave system via control approach. The slave system is forced to follow the master signal via a linearizing controller based on model uncertainty reconstructor which leads to proportional-integral-derivative (PID) control structure. This reconstructor is related with a proportional-derivative (PD) reduced-order observer, it would be considered as a sub-slave system for the original slave of the synchronization procedure. The asymptotic performance of the synchronization methodology is proven via the dynamic of the synchronization error. Numerical experiment illustrates the closed-loop behavior of the proposed methodology.

Partial synchronization of different chaotic oscillators using robust PID feedback

International Nuclear Information System (INIS)

Aguilar-Lopez, Ricardo; Martinez-Guerra, Rafael

2007-01-01

This work deals with the partial synchronization problem of two different chaotic oscillators considering model uncertainties in the slave system via control approach. The slave system is forced to follow the master signal via a linearizing controller based on model uncertainty reconstructor which leads to proportional-integral-derivative (PID) control structure. This reconstructor is related with a proportional-derivative (PD) reduced-order observer, it would be considered as a sub-slave system for the original slave of the synchronization procedure. The asymptotic performance of the synchronization methodology is proven via the dynamic of the synchronization error. Numerical experiment illustrates the closed-loop behavior of the proposed methodology

Past and future trends in structures and dynamics

International Nuclear Information System (INIS)

Bader, R.M.; Goesch, W.H.; Olsen, J.J.

1981-01-01

An historical review and a series of prognostications based on current developments are presented for the fields of structural design and structural dynamics analysis. It is shown that while weight and cost reduction and improved durability have been the primary forces in structural technology development in the past, emphasis has shifted to such things as productivity, quality assurance, low observables for military aircraft and increased fuel efficiency. Prominent among recent advances in future developments are damage tolerance durability, computer-aided design, active flutter suppression, adhesive bonding of primary structures, cast aluminum structures, titanium and graphite-epoxy primary aircraft structures, aeroelastic tailoring composites, metal matrix composites, and radar-absorbing structures

A System Structure for a VHTR-SI Process Dynamic Simulation Code

International Nuclear Information System (INIS)

Chang, Jiwoon; Shin, Youngjoon; Kim, Jihwan; Lee, Kiyoung; Lee, Wonjae; Chang, Jonghwa; Youn, Cheung

2008-01-01

The VHTR-SI process dynamic simulation code embedded in a mathematical solution engine is an application software system that simulates the dynamic behavior of the VHTR-SI process. Also, the software system supports a user friendly graphical user interface (GUI) for user input/out. Structured analysis techniques were developed in the late 1970s by Yourdon, DeMarco, Gane and Sarson for applying a systematic approach to a systems analysis. It included the use of data flow diagrams and data modeling and fostered the use of an implementation-independent graphical notation for a documentation. In this paper, we present a system structure for a VHRT-SI process dynamic simulation code by using the methodologies of structured analysis

Sum rules for four-spinon dynamic structure factor in XXX model

International Nuclear Information System (INIS)

Si Lakhal, B.; Abada, A.

2005-01-01

In the context of the antiferromagnetic spin 12 Heisenberg quantum spin chain (XXX model), we estimate the contribution of the exact four-spinon dynamic structure factor S 4 by calculating a number of sum rules the total dynamic structure factor S is known to satisfy exactly. These sum rules are: the static susceptibility, the integrated intensity, the total integrated intensity, the first frequency moment and the nearest-neighbor correlation function. We find that the contribution of S 4 is between 1% and 2.5%, depending on the sum rule, whereas the contribution of the exact two-spinon dynamic structure factor S 2 is between 70% and 75%. The calculations are numerical and Monte Carlo based. Good statistics are obtained

Simulating CubeSat Structure Deployment Dynamics, Phase I

Data.gov (United States)

National Aeronautics and Space Administration — There is high value in simulating the nonlinear dynamics of stowing, deploying, and performance of deployable space structures, especially given the profound...

Pragmatics of type-directed partial evaluation

DEFF Research Database (Denmark)

Danvy, Olivier

1996-01-01

Type-directed partial evaluation stems from the residualization of static values in dynamic contexts, given their type and the type of their free variables. Its algorithm coincides with the algorithm for coercing a subtype value into a supertype value, which itself coincides with Berger and Schwi...

Molecular dynamics study of dynamic and structural properties of supercooled liquid and glassy iron in the rapid-cooling processes

Energy Technology Data Exchange (ETDEWEB)

Cao, Qi-Long; Huang, Duo-Hui; Yang, Jun-Sheng; Wan, Min-Jie; Wang, Fan-Hou, E-mail: eatonch@gmail.com

2014-10-01

Molecular dynamics simulations were applied to study the dynamic and structural properties of supercooled liquid and glassy iron in the rapid-cooling processes. The mean-square displacement and the non-Gaussian parameter were used to describe the dynamic properties. The evolution of structural properties was investigated using the pair distribution functions and bond-angle distribution functions. Results for dynamic and structural relaxations indicate that the dynamic features are consistently correlated with the structure evolution, and there are three temperature regions as the temperature decreases: (1) at higher temperatures (1500 K, 1300 K, and 1100 K), the system remains in the liquid characteristics during the overall relaxation process. (2) At medial temperatures (1050 K, 900 K, and 700 K), a fast β-relaxation is followed by a much slower α-relaxation. There is a little change in the structural properties in the β-relaxation region, while major configuration rearrangements occurred in the α-relaxation range and the crystallization process was completed at the end of α-relaxation region. (3) At lower temperature (500 K), the system shows glassy characteristics during the overall relaxation process. In addition, the melting temperature, glass transition temperature and diffusion coefficients of supercooled liquid iron are also computed.

Chemical structure and dynamics: Annual report 1996

International Nuclear Information System (INIS)

Colson, S.D.; McDowell, R.S.

1997-03-01

The Chemical Structure and Dynamics (CS ampersand D) program is a major component of the William R. Wiley Environmental Molecular Sciences Laboratory (EMSL) developed by Pacific Northwest National Laboratory (PNNL) to provide a state-of-the-art collaborative facility for studies of chemical structure and dynamics. We respond to the need for a fundamental, molecular-level understanding of chemistry at a wide variety of environmentally important interfaces by (1) extending the experimental characterization and theoretical description of chemical reactions to encompass the effects of condensed media and interfaces; (2) developing a multidisciplinary capability for describing interfacial chemical processes within which the new knowledge generated can be brought to bear on complex phenomena in environmental chemistry and in nuclear waste processing and storage; and (3) developing state-of-the-art analytical methods for characterizing waste tanks and pollutant distributions, and for detecting and monitoring trace atmospheric species

Chemical structure and dynamics: Annual report 1996

Energy Technology Data Exchange (ETDEWEB)

Colson, S.D.; McDowell, R.S.

1997-03-01

The Chemical Structure and Dynamics (CS&D) program is a major component of the William R. Wiley Environmental Molecular Sciences Laboratory (EMSL) developed by Pacific Northwest National Laboratory (PNNL) to provide a state-of-the-art collaborative facility for studies of chemical structure and dynamics. We respond to the need for a fundamental, molecular-level understanding of chemistry at a wide variety of environmentally important interfaces by (1) extending the experimental characterization and theoretical description of chemical reactions to encompass the effects of condensed media and interfaces; (2) developing a multidisciplinary capability for describing interfacial chemical processes within which the new knowledge generated can be brought to bear on complex phenomena in environmental chemistry and in nuclear waste processing and storage; and (3) developing state-of-the-art analytical methods for characterizing waste tanks and pollutant distributions, and for detecting and monitoring trace atmospheric species.

Visualizing a Catalyst at Work during the Ignition of the Catalytic Partial Oxidation of Methane

DEFF Research Database (Denmark)

Kimmerle, Bertram; Grunwaldt, Jan-Dierk; Baiker, Alfons

2009-01-01

We present a spatiotemporal operando X-ray absorption study of a highly dynamic process, the ignition of the noble metal catalyzed partial oxidation of methane. Evolvement and propagation of the platinum component's structural changes are investigated with a high-speed X-ray camera, which...... in combination with temperature profiling by IR-thermography and catalytic activity measurements by online mass spectrometry gives insight into the first stages of the ignition of the reaction toward hydrogen and carbon monoxide....

Molecular dynamics of the structure and thermodynamics of dusty ...

African Journals Online (AJOL)

The static structure and thermodynamic properties of two-dimensional dusty plasma are analyzed for some typical values of coupling and screening parameters using classical molecular dynamics. Radial distribution function and static structure factor are computed. The radial distribution functions display the typical ...

Annual Report 2000. Chemical Structure and Dynamics; FINAL

International Nuclear Information System (INIS)

Colson, Steve D; McDowell, Rod S

2001-01-01

This annual report describes the research and accomplishments of the Chemical Structure and Dynamics Program in the year 2000, one of six research programs at the William R. Wiley Environmental Molecular Sciences Laboratory (EMSL) - a multidisciplinary, national scientific user facility and research organization. The Chemical Structure and Dynamics (CS and D) program is meeting the need for a fundamental, molecular-level understanding by (1) extending the experimental characterization and theoretical description of chemical reactions to encompass the effects of condensed media and interfaces; (2) developing a multidisciplinary capability for describing interfacial chemical processes relevant to environmental chemistry; and (3) developing state-of-the-art research and analytical methods for characterizing complex materials of the types found in natural and contaminated systems

Insights into structural and dynamical features of water at halloysite interfaces probed by DFT and classical molecular dynamics simulations.

Science.gov (United States)

Presti, Davide; Pedone, Alfonso; Mancini, Giordano; Duce, Celia; Tiné, Maria Rosaria; Barone, Vincenzo

2016-01-21

Density functional theory calculations and classical molecular dynamics simulations have been used to investigate the structure and dynamics of water molecules on kaolinite surfaces and confined in the interlayer of a halloysite model of nanometric dimension. The first technique allowed us to accurately describe the structure of the tetrahedral-octahedral slab of kaolinite in vacuum and in interaction with water molecules and to assess the performance of two widely employed empirical force fields to model water/clay interfaces. Classical molecular dynamics simulations were used to study the hydrogen bond network structure and dynamics of water adsorbed on kaolinite surfaces and confined in the halloysite interlayer. The results are in nice agreement with the few experimental data available in the literature, showing a pronounced ordering and reduced mobility of water molecules at the hydrophilic octahedral surfaces of kaolinite and confined in the halloysite interlayer, with respect to water interacting with the hydrophobic tetrahedral surfaces and in the bulk. Finally, this investigation provides new atomistic insights into the structural and dynamical properties of water-clay interfaces, which are of fundamental importance for both natural processes and industrial applications.

Salt bridge as a gatekeeper against partial unfolding.

Science.gov (United States)

Hinzman, Mark W; Essex, Morgan E; Park, Chiwook

2016-05-01

Salt bridges are frequently observed in protein structures. Because the energetic contribution of salt bridges is strongly dependent on the environmental context, salt bridges are believed to contribute to the structural specificity rather than the stability. To test the role of salt bridges in enhancing structural specificity, we investigated the contribution of a salt bridge to the energetics of native-state partial unfolding in a cysteine-free version of Escherichia coli ribonuclease H (RNase H*). Thermolysin cleaves a protruding loop of RNase H(*) through transient partial unfolding under native conditions. Lys86 and Asp108 in RNase H(*) form a partially buried salt bridge that tethers the protruding loop. Investigation of the global stability of K86Q/D108N RNase H(*) showed that the salt bridge does not significantly contribute to the global stability. However, K86Q/D108N RNase H(*) is greatly more susceptible to proteolysis by thermolysin than wild-type RNase H(*) is. The free energy for partial unfolding determined by native-state proteolysis indicates that the salt bridge significantly increases the energy for partial unfolding by destabilizing the partially unfolded form. Double mutant cycles with single and double mutations of the salt bridge suggest that the partially unfolded form is destabilized due to a significant decrease in the interaction energy between Lys86 and Asp108 upon partial unfolding. This study demonstrates that, even in the case that a salt bridge does not contribute to the global stability, the salt bridge may function as a gatekeeper against partial unfolding that disturbs the optimal geometry of the salt bridge. © 2016 The Protein Society.

Recent Advances in Heliogyro Solar Sail Structural Dynamics, Stability, and Control Research

Science.gov (United States)

Wilkie, W. Keats; Warren, Jerry E.; Horta, Lucas G.; Lyle, Karen H.; Juang, Jer-Nan; Gibbs, S. Chad; Dowell, Earl H.; Guerrant, Daniel V.; Lawrence, Dale

2015-01-01

Results from recent NASA sponsored research on the structural dynamics, stability, and control characteristics of heliogyro solar sails are summarized. Specific areas under investigation include coupled nonlinear finite element analysis of heliogyro membrane blade with solar radiation pressure effects, system identification of spinning membrane structures, and solarelastic stability analysis of heliogyro solar sails, including stability during blade deployment. Recent results from terrestrial 1-g blade dynamics and control experiments on "rope ladder" membrane blade analogs, and small-scale in vacuo system identification experiments with hanging and spinning high-aspect ratio membranes will also be presented. A low-cost, rideshare payload heliogyro technology demonstration mission concept is used as a mission context for these heliogyro structural dynamics and solarelasticity investigations, and is also described. Blade torsional dynamic response and control are also shown to be significantly improved through the use of edge stiffening structural features or inclusion of modest tip masses to increase centrifugal stiffening of the blade structure. An output-only system identification procedure suitable for on-orbit blade dynamics investigations is also developed and validated using ground tests of spinning sub-scale heliogyro blade models. Overall, analytical and experimental investigations to date indicate no intractable stability or control issues for the heliogyro solar sail concept.

Structural Behavior of a Long-Span Partially Earth-Anchored Cable-Stayed Bridge during Installation of a Key Segment by Thermal Prestressing

Directory of Open Access Journals (Sweden)

Sang-Hyo Kim

2016-08-01

Full Text Available This study investigated structural behavior of long-span partially earth-anchored cable-stayed bridges with a main span length of 810 m that use a new key segment closing method based on a thermal prestressing technique. A detailed construction sequence analysis matched with the free cantilever method (FCM was performed using a three-dimensional finite element (FE model of a partially earth-anchored cable-stayed bridge. The new method offers an effective way of connecting key segments by avoiding large movements resulting from the removal of the longitudinal restraint owing to the asymmetry of axial forces in the girders near the pylons. The new method develops new member forces through the process of heating the cantilever system before installing the key segment and cooling the system continuously after installing key segments. The resulting forces developed by the thermal process enhance the structural behavior of partially earth-anchored cable-stayed bridges owing to decreased axial forces in the girders.

Mitochondrial Dynamics Decrease Prior to Axon Degeneration Induced by Vincristine and are Partially Rescued by Overexpressed cytNmnat1.

Directory of Open Access Journals (Sweden)

Gregory Berbusse

2016-07-01

Full Text Available Axon degeneration is a prominent feature of various neurodegenerative diseases, such as Parkinson’s and Alzheimer’s, and is often characterized by aberrant mitochondrial dynamics. Mitochondrial fission, fusion, and motility have been shown to be particularly important in progressive neurodegeneration. Thus we investigated these imperative dynamics, as well as mitochondrial fragmentation in vincristine induced axon degradation in cultured DRG neurons. CytNmnat1 inhibits axon degeneration in various paradigms including vincristine toxicity. The mechanism of its protection is not yet fully understood; therefore, we also investigated the effect of cytNmnat1 on mitochondrial dynamics in vincristine treated neurons. We observed that vincristine treatment decreases the rate of mitochondrial fission, fusion and motility and induces mitochondrial fragmentation. These mitochondrial events precede visible axon degeneration. Overexpression of cytNmnat1 inhibits axon degeneration and preserves the normal mitochondrial dynamics and motility in vincristine treated neurons. We suggest the alterations in mitochondrial structure and dynamics are early events which lead to axon degeneration and cytNmnat1 blocks axon degeneration by halting the vincristine induced changes to mitochondrial structure and dynamics.

Probing the Structure and Dynamics of Proteins by Combining Molecular Dynamics Simulations and Experimental NMR Data.

Science.gov (United States)

Allison, Jane R; Hertig, Samuel; Missimer, John H; Smith, Lorna J; Steinmetz, Michel O; Dolenc, Jožica

2012-10-09

NMR experiments provide detailed structural information about biological macromolecules in solution. However, the amount of information obtained is usually much less than the number of degrees of freedom of the macromolecule. Moreover, the relationships between experimental observables and structural information, such as interatomic distances or dihedral angle values, may be multiple-valued and may rely on empirical parameters and approximations. The extraction of structural information from experimental data is further complicated by the time- and ensemble-averaged nature of NMR observables. Combining NMR data with molecular dynamics simulations can elucidate and alleviate some of these problems, as well as allow inconsistencies in the NMR data to be identified. Here, we use a number of examples from our work to highlight the power of molecular dynamics simulations in providing a structural interpretation of solution NMR data.

Active influence in dynamical models of structural balance in social networks

Science.gov (United States)

Summers, Tyler H.; Shames, Iman

2013-07-01

We consider a nonlinear dynamical system on a signed graph, which can be interpreted as a mathematical model of social networks in which the links can have both positive and negative connotations. In accordance with a concept from social psychology called structural balance, the negative links play a key role in both the structure and dynamics of the network. Recent research has shown that in a nonlinear dynamical system modeling the time evolution of “friendliness levels” in the network, two opposing factions emerge from almost any initial condition. Here we study active external influence in this dynamical model and show that any agent in the network can achieve any desired structurally balanced state from any initial condition by perturbing its own local friendliness levels. Based on this result, we also introduce a new network centrality measure for signed networks. The results are illustrated in an international-relations network using United Nations voting record data from 1946 to 2008 to estimate friendliness levels amongst various countries.

Quadrupole splitting and Eu partial lattice dynamics in europium orthophosphate EuPO {sub 4}

Energy Technology Data Exchange (ETDEWEB)

Klobes, B., E-mail: b.klobes@fz-juelich.de [JARA-FIT - Forschungszentrum Jülich GmbH, Jülich Centre for Neutron Science JCNS and Peter Grünberg Institute PGI (Germany); Arinicheva, Y., E-mail: y.arinicheva@fz-juelich.de; Neumeier, S., E-mail: s.neumeier@fz-juelich.de [Forschungszentrum Jülich GmbH, Institute of Energy and Climate Research (IEK-6) Nuclear Waste Management and Reactor Safety (Germany); Simon, R. E., E-mail: r.simon@fz-juelich.de; Jafari, A., E-mail: a.jafari@fz-juelich.de [JARA-FIT - Forschungszentrum Jülich GmbH, Jülich Centre for Neutron Science JCNS and Peter Grünberg Institute PGI (Germany); Bosbach, D., E-mail: d.bosbach@fz-juelich.de [Forschungszentrum Jülich GmbH, Institute of Energy and Climate Research (IEK-6) Nuclear Waste Management and Reactor Safety (Germany); Hermann, R. P., E-mail: hermannrp@ornl.gov [JARA-FIT - Forschungszentrum Jülich GmbH, Jülich Centre for Neutron Science JCNS and Peter Grünberg Institute PGI (Germany)

2016-12-15

Hyperfine interactions in europium orthophosphate EuPO{sub 4} were investigated using {sup 151}Eu Mössbauer spectroscopy from 6 to 300 K. The value of the quadrupole splitting and the asymmetry parameter were refined and further substantiated by nuclear forward scattering data obtained at room temperature. The temperature dependence of the relative absorption was modeled with an Eu specific Debye temperature of 221(1) K. Eu partial lattice dynamics were probed by means of nuclear inelastic scattering and the mean force constant, the Lamb-Mössbauer factor, the internal energy, the vibrational entropy, the average phonon group velocity were calculated using the extracted density of phonon states. In general, Eu specific vibrations are characterized by rather small phonon energies and contribute strongly to the total entropy of the system. Although there is no classical Debye like behavior at low vibrational energies, the average phonon group velocity can be reasonably approximated using a linear fit.

Structural Dynamic Analyses And Test Predictions For Spacecraft Structures With Non-Linearities

Science.gov (United States)

Vergniaud, Jean-Baptiste; Soula, Laurent; Newerla, Alfred

2012-07-01

The overall objective of the mechanical development and verification process is to ensure that the spacecraft structure is able to sustain the mechanical environments encountered during launch. In general the spacecraft structures are a-priori assumed to behave linear, i.e. the responses to a static load or dynamic excitation, respectively, will increase or decrease proportionally to the amplitude of the load or excitation induced. However, past experiences have shown that various non-linearities might exist in spacecraft structures and the consequences of their dynamic effects can significantly affect the development and verification process. Current processes are mainly adapted to linear spacecraft structure behaviour. No clear rules exist for dealing with major structure non-linearities. They are handled outside the process by individual analysis and margin policy, and analyses after tests to justify the CLA coverage. Non-linearities can primarily affect the current spacecraft development and verification process on two aspects. Prediction of flights loads by launcher/satellite coupled loads analyses (CLA): only linear satellite models are delivered for performing CLA and no well-established rules exist how to properly linearize a model when non- linearities are present. The potential impact of the linearization on the results of the CLA has not yet been properly analyzed. There are thus difficulties to assess that CLA results will cover actual flight levels. Management of satellite verification tests: the CLA results generated with a linear satellite FEM are assumed flight representative. If the internal non- linearities are present in the tested satellite then there might be difficulties to determine which input level must be passed to cover satellite internal loads. The non-linear behaviour can also disturb the shaker control, putting the satellite at risk by potentially imposing too high levels. This paper presents the results of a test campaign performed in

The flow field structure of highly stabilized partially premixed flames in a concentric flow conical nozzle burner with coflow

KAUST Repository

Elbaz, Ayman M.; Zayed, M.F.; Samy, M.; Roberts, William L.; Mansour, Mohy S.

2015-01-01

The stability limits, the stabilization mechanism, and the flow field structure of highly stabilized partially premixed methane flames in a concentric flow conical nozzle burner with air co-flow have been investigated and presented in this work

Structural dynamics of supercooled water from quasielastic neutron scattering and molecular simulations.

Science.gov (United States)

Qvist, Johan; Schober, Helmut; Halle, Bertil

2011-04-14

One of the outstanding challenges presented by liquid water is to understand how molecules can move on a picosecond time scale despite being incorporated in a three-dimensional network of relatively strong H-bonds. This challenge is exacerbated in the supercooled state, where the dramatic slowing down of structural dynamics is reminiscent of the, equally poorly understood, generic behavior of liquids near the glass transition temperature. By probing single-molecule dynamics on a wide range of time and length scales, quasielastic neutron scattering (QENS) can potentially reveal the mechanistic details of water's structural dynamics, but because of interpretational ambiguities this potential has not been fully realized. To resolve these issues, we present here an extensive set of high-quality QENS data from water in the range 253-293 K and a corresponding set of molecular dynamics (MD) simulations to facilitate and validate the interpretation. Using a model-free approach, we analyze the QENS data in terms of two motional components. Based on the dynamical clustering observed in MD trajectories, we identify these components with two distinct types of structural dynamics: picosecond local (L) structural fluctuations within dynamical basins and slower interbasin jumps (J). The Q-dependence of the dominant QENS component, associated with J dynamics, can be quantitatively rationalized with a continuous-time random walk (CTRW) model with an apparent jump length that depends on low-order moments of the jump length and waiting time distributions. Using a simple coarse-graining algorithm to quantitatively identify dynamical basins, we map the newtonian MD trajectory on a CTRW trajectory, from which the jump length and waiting time distributions are computed. The jump length distribution is gaussian and the rms jump length increases from 1.5 to 1.9 Å as the temperature increases from 253 to 293 K. The rms basin radius increases from 0.71 to 0.75 Å over the same range. The

Calculating evolutionary dynamics in structured populations.

Directory of Open Access Journals (Sweden)

Charles G Nathanson

2009-12-01

Full Text Available Evolution is shaping the world around us. At the core of every evolutionary process is a population of reproducing individuals. The outcome of an evolutionary process depends on population structure. Here we provide a general formula for calculating evolutionary dynamics in a wide class of structured populations. This class includes the recently introduced "games in phenotype space" and "evolutionary set theory." There can be local interactions for determining the relative fitness of individuals, but we require global updating, which means all individuals compete uniformly for reproduction. We study the competition of two strategies in the context of an evolutionary game and determine which strategy is favored in the limit of weak selection. We derive an intuitive formula for the structure coefficient, sigma, and provide a method for efficient numerical calculation.

Structural optimization for nonlinear dynamic response

DEFF Research Database (Denmark)

Dou, Suguang; Strachan, B. Scott; Shaw, Steven W.

2015-01-01

by a single vibrating mode, or by a pair of internally resonant modes. The approach combines techniques from nonlinear dynamics, computational mechanics and optimization, and it allows one to relate the geometric and material properties of structural elements to terms in the normal form for a given resonance......Much is known about the nonlinear resonant response of mechanical systems, but methods for the systematic design of structures that optimize aspects of these responses have received little attention. Progress in this area is particularly important in the area of micro-systems, where nonlinear...... resonant behaviour is being used for a variety of applications in sensing and signal conditioning. In this work, we describe a computational method that provides a systematic means for manipulating and optimizing features of nonlinear resonant responses of mechanical structures that are described...

The structural dynamics of social class.

Science.gov (United States)

Kraus, Michael W; Park, Jun Won

2017-12-01

Individual agency accounts of social class persist in society and even in psychological science despite clear evidence for the role of social structures. This article argues that social class is defined by the structural dynamics of society. Specifically, access to powerful networks, groups, and institutions, and inequalities in wealth and other economic resources shape proximal social environments that influence how individuals express their internal states and motivations. An account of social class that highlights the means by which structures shape and are shaped by individuals guides our understanding of how people move up or down in the social class hierarchy, and provides a framework for interpreting neuroscience studies, experimental paradigms, and approaches that attempt to intervene on social class disparities. Copyright © 2017 Elsevier Ltd. All rights reserved.

Alterations in knee kinematics after partial medial meniscectomy are activity dependent.

Science.gov (United States)

Edd, Shannon N; Netravali, Nathan A; Favre, Julien; Giori, Nicholas J; Andriacchi, Thomas P

2015-06-01

Alterations in knee kinematics after partial meniscectomy have been linked to the increased risk of osteoarthritis in this population. Understanding differences in kinematics during static versus dynamic activities of increased demand can provide important information regarding the possible underlying mechanisms of these alterations. Differences in the following 2 kinematics measures will increase with activity demand: (1) the offset toward external tibial rotation for the meniscectomized limb compared with the contralateral limb during stance and (2) the difference in knee flexion angle at initial foot contact between the meniscectomized and contralateral limbs. Controlled laboratory study. This study compared side-to-side differences in knee flexion and rotation angles during static and dynamic activities. Thirteen patients (2 female) were tested in a motion capture laboratory at 6 ± 2 months after unilateral, arthroscopic, partial medial meniscectomy during a static reference pose and during 3 dynamic activities: walking, stair ascent, and stair descent. The meniscectomized limb demonstrated more external tibial rotation compared with the contralateral limb during dynamic activities, and there was a trend that this offset increased with activity demand (repeated-measures analysis of variance [ANOVA] for activity, P = .07; mean limb difference: static pose, -0.1° ± 3.3°, P = .5; walking, 1.2° ± 3.8°, P = .1; stair ascent, 2.0° ± 3.2°, P = .02; stair descent, 3.0° ± 3.5°, P = .005). Similarly, the meniscectomized knee was more flexed at initial contact than the contralateral limb during dynamic activities (repeated-measures ANOVA for activity P = .006; mean limb difference: reference pose, 1.0° ± 2.5°, P = .09; walking, 2.0° ± 3.9°, P = .05; stair ascent, 5.9° ± 5.3°, P = .009; stair descent, 3.5° ± 4.0°, P = .004). These results suggest both a structural element and a potential muscular element for the differences in kinematics after

Dynamic Arrest in Charged Colloidal Systems Exhibiting Large-Scale Structural Heterogeneities

International Nuclear Information System (INIS)

Haro-Perez, C.; Callejas-Fernandez, J.; Hidalgo-Alvarez, R.; Rojas-Ochoa, L. F.; Castaneda-Priego, R.; Quesada-Perez, M.; Trappe, V.

2009-01-01

Suspensions of charged liposomes are found to exhibit typical features of strongly repulsive fluid systems at short length scales, while exhibiting structural heterogeneities at larger length scales that are characteristic of attractive systems. We model the static structure factor of these systems using effective pair interaction potentials composed of a long-range attraction and a shorter range repulsion. Our modeling of the static structure yields conditions for dynamically arrested states at larger volume fractions, which we find to agree with the experimentally observed dynamics

Structure of Dynamic, Taxol-Stabilized, and GMPPCP-Stabilized Microtubule.

Science.gov (United States)

Ginsburg, Avi; Shemesh, Asaf; Millgram, Abigail; Dharan, Raviv; Levi-Kalisman, Yael; Ringel, Israel; Raviv, Uri

2017-09-14

Microtubule (MT) is made of αβ-tubulin heterodimers that dynamically assemble into a hollow nanotube composed of straight protofilaments. MT dynamics is facilitated by hydrolysis of guanosine-5'-triphosphate (GTP) and can be inhibited by either anticancer agents like taxol or the nonhydrolyzable GTP analogues like GMPPCP. Using high-resolution synchrotron X-ray scattering, we have measured and analyzed the scattering curves from solutions of dynamic MT (in other words, in the presence of excess GTP and free of dynamic-inhibiting agents) and examined the effect of two MT stabilizers: taxol and GMPPCP. Previously, we have analyzed the structure of dynamic MT by docking the atomic model of tubulin dimer onto a 3-start left handed helical lattice, derived from the PDB ID 3J6F . 3J6F corresponds to a MT with 14 protofilaments. In this paper, we took into account the possibility of having MT structures containing between 12 and 15 protofilaments. MTs with 12 protofilaments were never observed. We determined the radii, the pitch, and the distribution of protofilament number that best fit the scattering data from dynamic MT or stabilized MT by taxol or GMPPCP. We found that the protofilament number distribution shifted when the MT was stabilized. Taxol increased the mass fraction of MT with 13 protofilaments and decreased the mass fraction of MT with 14 protofilaments. GMPPCP reduced the mass fraction of MT with 15 protofilaments and increased the mass fraction of MT with 14 protofilaments. The pitch, however, remained unchanged regardless of whether the MT was dynamic or stabilized. Higher tubulin concentrations increased the fraction of dynamic MT with 14 protofilaments.

On the influence of the foundation stiffness in the structural dynamic response

International Nuclear Information System (INIS)

Halbritter, A.L.; Koishi, N.; Stukart, R.N.L.

1984-01-01

To consider the influence of the foundation on the structural dynamic analysis, it is usual to represent the foundation stiffness by springs and the damping by snubbers, in the structural model. The stiffness and the damping values of the foundation can be determined by approximate methods based on simplifying assumptions, using, for example, the formula derived from the half space theory or numerical methods. The foundation stiffness has a great influence on the dynamic characteristics of the structure (eigenvalues and eigenvectors), and together with the damping influence the structural dynamic response. In this paper the influence of the foundation stiffness on the floor response spectra of the reactor building of a NPP of 1300 MW PWR of KWU type is studied. (Author) [pt

Structural Modeling and Analysis on Dynamic Characteristics of Antenna Pedestal in Airborne SAR

Directory of Open Access Journals (Sweden)

He Li-ping

2012-06-01

Full Text Available Finite element modeling and structural dynamic characteristics of antenna pedestal in airborne SAR were studied in this paper. The Finite element model of antenna pedestal in airborne SAR was set up on the basis of structural dynamic theory, then, the key technologies of dynamic simulation were pointed out, and the modal analysis and transient analysis were carried out. Simulation results show that the dynamic characteristics of antenna pedestal in airborne SAR can meet the requirements of servo bandwidth and structural strength. The fast finite element modeling and simulation method proposed in this paper are of great significance to the weight reducing design of antenna pedestal in airborne SAR.

Holistic Approach to Partial Covalent Interactions in Protein Structure Prediction and Design with Rosetta.

Science.gov (United States)

Combs, Steven A; Mueller, Benjamin K; Meiler, Jens

2018-05-29

Partial covalent interactions (PCIs) in proteins, which include hydrogen bonds, salt bridges, cation-π, and π-π interactions, contribute to thermodynamic stability and facilitate interactions with other biomolecules. Several score functions have been developed within the Rosetta protein modeling framework that identify and evaluate these PCIs through analyzing the geometry between participating atoms. However, we hypothesize that PCIs can be unified through a simplified electron orbital representation. To test this hypothesis, we have introduced orbital based chemical descriptors for PCIs into Rosetta, called the PCI score function. Optimal geometries for the PCIs are derived from a statistical analysis of high-quality protein structures obtained from the Protein Data Bank (PDB), and the relative orientation of electron deficient hydrogen atoms and electron-rich lone pair or π orbitals are evaluated. We demonstrate that nativelike geometries of hydrogen bonds, salt bridges, cation-π, and π-π interactions are recapitulated during minimization of protein conformation. The packing density of tested protein structures increased from the standard score function from 0.62 to 0.64, closer to the native value of 0.70. Overall, rotamer recovery improved when using the PCI score function (75%) as compared to the standard Rosetta score function (74%). The PCI score function represents an improvement over the standard Rosetta score function for protein model scoring; in addition, it provides a platform for future directions in the analysis of small molecule to protein interactions, which depend on partial covalent interactions.

Structural dynamics of turbo-machines

CERN Document Server

Rangwala, AS

2009-01-01

The book presents a detailed and comprehensive treatment of structural vibration evaluation of turbo-machines. Starting with the fundamentals of the theory of vibration as related to various aspects of rotating machines, the dynamic analysis procedures of a broad spectrum of turbo-machines is covered. An in-depth procedure for analyzing the torsional and flexural oscillations of the components and of the rotor-bearing system is presented. The latest trends in design and analysis are presented, chief among them: Blade and coupled disk-blade mod

Static/dynamic fluid-structure interaction analysis for 3-D rotary blade model

International Nuclear Information System (INIS)

Kim, Dong Hyun; Kim, Yu Sung; Kim, Dong Man; Park, Kang Kyun

2009-01-01

In this study, static/dynamic fluid-structure interaction analyses have been conducted for a 3D rotary blade model like a turbo-machinery or wind turbine blade. Advanced computational analysis system based on Computational Fluid Dynamics (CFD) and Computational Structural Dynamics (CSD) has been developed in order to investigate detailed dynamic responses of rotary type models. Fluid domains are modeled using the computational grid system with local grid deforming techniques. Reynolds-averaged Navier-Stokes equations with various turbulence model are solved for unsteady flow problems of the rotating blade model. Detailed static/dynamic responses and instantaneous pressure contours on the blade surfaces considering flow-separation effects are presented to show the multi-physical phenomenon of the rotating blades.

Partial quantization of Lagrangian-Hamiltonian systems

International Nuclear Information System (INIS)

Amaral, C.M. do; Soares Filho, P.C.

1979-05-01

A classical variational principle is constructed in the Weiss form, for dynamical systems with support spaces of the configuration-phase kind. This extended principle rules the dynamics of classical systems, partially Hamiltonian, in interaction with Lagrangean parameterized subsidiary dynamics. The variational family of equations obtained, consists of an equation of the Hamilton-Jacobi type, coupled to a family of differential equations of the Euler-Lagrange form. The basic dynamical function appearing in the equations is a function of the Routh kind. By means of an ansatz induced by the variationally obtained family, a generalized set of equation, is proposed constituted by a wave equation of Schroedinger type, coupled to a family of equations formaly analog to those Euler-Lagrange equations. A basic operator of Routh type appears in our generalized set of equations. This operator describes the interaction between a quantized Hamiltonian dynamics, with a parameterized classical Lagrangean dynamics in semi-classical closed models. (author) [pt

Structural, electronic and magnetic properties of partially inverse spinel CoFe2O4: a first-principles study

International Nuclear Information System (INIS)

Hou, Y H; Liu, Z W; Yu, H Y; Zhong, X C; Qiu, W Q; Zeng, D C; Wen, L S; Zhao, Y J

2010-01-01

Partially inverse spinel CoFe 2 O 4 , which may be prepared through various heat treatments, differs remarkably from the ideal inverse spinel in many properties. The structure of partially inverse spinel CoFe 2 O 4 as well as its electronic and magnetic properties through a systemic theoretical calculation of (Co 1-x Fe x ) Tet (Co x Fe 2-x ) Oct O 4 (x = 0, 0.25, 0.5, 0.75 and 1.0) have been investigated by the generalized gradient approximation (GGA) + U approach. It is found that the Co and Fe ions prefer their high spin configurations with higher spin moments at octahedral sites in all the studied cases, in line with experimental observations. The Co ions at the octahedral sites favour being far away from each other in the partial inverse spinels, which also show half metallicity at certain inversion degrees.

Dynamic curvature sensing employing ionic-polymer–metal composite sensors

International Nuclear Information System (INIS)

Bahramzadeh, Yousef; Shahinpoor, Mohsen

2011-01-01

A dynamic curvature sensor is presented based on ionic-polymer–metal composite (IPMC) for curvature monitoring of deployable/inflatable dynamic space structures. Monitoring the curvature variation is of high importance in various engineering structures including shape monitoring of deployable/inflatable space structures in which the structural boundaries undergo a dynamic deployment process. The high sensitivity of IPMCs to the applied deformations as well as its flexibility make IPMCs a promising candidate for sensing of dynamic curvature changes. Herein, we explore the dynamic response of an IPMC sensor strip with respect to controlled curvature deformations subjected to different forms of input functions. Using a specially designed experimental setup, the voltage recovery effect, phase delay, and rate dependency of the output voltage signal of an IPMC curvature sensor are analyzed. Experimental results show that the IPMC sensor maintains the linearity, sensitivity, and repeatability required for curvature sensing. Besides, in order to describe the dynamic phenomena such as the rate dependency of the IPMC sensor, a chemo-electro-mechanical model based on the Poisson–Nernst–Planck (PNP) equation for the kinetics of ion diffusion is presented. By solving the governing partial differential equations the frequency response of the IPMC sensor is derived. The physical model is able to describe the dynamic properties of the IPMC sensor and the dependency of the signal on rate of excitations

Communication: Dynamical and structural analyses of solid hydrogen under vapor pressure

Energy Technology Data Exchange (ETDEWEB)

Hyeon-Deuk, Kim, E-mail: kim@kuchem.kyoto-u.ac.jp [Department of Chemistry, Kyoto University, Kyoto 606-8502 (Japan); Japan Science and Technology Agency, PRESTO, 4-1-8 Honcho, Kawaguchi, Saitama 332-0012 (Japan); Ando, Koji [Department of Chemistry, Kyoto University, Kyoto 606-8502 (Japan)

2015-11-07

Nuclear quantum effects play a dominant role in determining the phase diagram of H{sub 2}. With a recently developed quantum molecular dynamics simulation method, we examine dynamical and structural characters of solid H{sub 2} under vapor pressure, demonstrating the difference from liquid and high-pressure solid H{sub 2}. While stable hexagonal close-packed lattice structures are reproduced with reasonable lattice phonon frequencies, the most stable adjacent configuration exhibits a zigzag structure, in contrast with the T-shape liquid configuration. The periodic angular distributions of H{sub 2} molecules indicate that molecules are not a completely free rotor in the vapor-pressure solid reflecting asymmetric potentials from surrounding molecules on adjacent lattice sites. Discrete jumps of librational and H–H vibrational frequencies as well as H–H bond length caused by structural rearrangements under vapor pressure effectively discriminate the liquid and solid phases. The obtained dynamical and structural information of the vapor-pressure H{sub 2} solid will be useful in monitoring thermodynamic states of condensed hydrogens.

Proceedings of the workshop on dynamics and structure of disordered system

International Nuclear Information System (INIS)

Arai, M.; Shibata, K.; Ikeda, H.

1993-11-01

The workshop was held on March 17 and 18, 1993, at the National Laboratory for High Energy Physics. The topics were particularly limited to lattice system among the problems of the dynamics and structure of disordered system. The problems that became the focus were recent understanding of local structure and middle distance correlation in disordered system, universal thermal properties of disordered system and phonon state density, and further, problems related to fracton, and problems related to glass-transition. At the workshop, lectures were given on dynamic middle distance structure of amorphism, Raman scattering and middle distance correlation of germanium chalcogenide glass, universal thermal properties of glass near several K, low energy excitation of disordered system by photon echo spectroscopy, fracton computer experiment, sound wave absorption of SiO 2 -10% GeO 2 glass, fracton in strong magnetic field, recent topics in Conference on Phonon Scattering, dynamic short distance structure of amorphism, structure of chalcogen nanodroplets, low energy excitation of polymers and glass-transition and so on. (K.I.)

Nuclear magnetic resonance characterization of the stationary dynamics of partially saturated media during steady-state infiltration flow

Science.gov (United States)

Rassi, Erik M.; Codd, Sarah L.; Seymour, Joseph D.

2011-01-01

Flow in porous media and the resultant hydrodynamics are important in fields including but not limited to the hydrology, chemical, medical and petroleum industries. The observation and understanding of the hydrodynamics in porous media are critical to the design and optimal utilization of porous media, such as those seen in trickle-bed reactors, medical filters, subsurface flows and carbon sequestration. Magnetic resonance (MR) provides for a non-invasive technique that can probe the hydrodynamics on pore and bulk scale lengths; many previous works have characterized fully saturated porous media, while rapid MR imaging (MRI) methods in particular have previously been applied to partially saturated flows. We present time- and ensemble-averaged MR measurements to observe the effects on a bead pack partially saturated with air under flowing water conditions. The 10 mm internal diameter bead pack was filled with 100 μm borosilicate glass beads. Air was injected into the bead pack as water flowed simultaneously through the sample at 25 ml h-1. The initial partially saturated state was characterized with MRI density maps, free induction decay (FID) experiments, propagators and velocity maps before the water flow rate was increased incrementally from 25 to 500 ml h-1. After the maximum flow rate of 500 ml h-1, the MRI density maps, FID experiments, propagators and velocity maps were repeated and compared to the data taken before the maximum flow rate. This work shows that a partially saturated single-phase flow has global flow dynamics that return to characteristic flow statistics once a steady-state high flow rate has been reached. This high flow rate pushed out a significant amount of the air in the bead pack and caused the return of a preferential flow pattern. Velocity maps indicated that local flow statistics were not the same for the before and after blow out conditions. It has been suggested and shown previously that a flow pattern can return to

Nuclear magnetic resonance characterization of the stationary dynamics of partially saturated media during steady-state infiltration flow

International Nuclear Information System (INIS)

Rassi, Erik M; Codd, Sarah L; Seymour, Joseph D

2011-01-01

Flow in porous media and the resultant hydrodynamics are important in fields including but not limited to the hydrology, chemical, medical and petroleum industries. The observation and understanding of the hydrodynamics in porous media are critical to the design and optimal utilization of porous media, such as those seen in trickle-bed reactors, medical filters, subsurface flows and carbon sequestration. Magnetic resonance (MR) provides for a non-invasive technique that can probe the hydrodynamics on pore and bulk scale lengths; many previous works have characterized fully saturated porous media, while rapid MR imaging (MRI) methods in particular have previously been applied to partially saturated flows. We present time- and ensemble-averaged MR measurements to observe the effects on a bead pack partially saturated with air under flowing water conditions. The 10 mm internal diameter bead pack was filled with 100 μm borosilicate glass beads. Air was injected into the bead pack as water flowed simultaneously through the sample at 25 ml h -1 . The initial partially saturated state was characterized with MRI density maps, free induction decay (FID) experiments, propagators and velocity maps before the water flow rate was increased incrementally from 25 to 500 ml h -1 . After the maximum flow rate of 500 ml h -1 , the MRI density maps, FID experiments, propagators and velocity maps were repeated and compared to the data taken before the maximum flow rate. This work shows that a partially saturated single-phase flow has global flow dynamics that return to characteristic flow statistics once a steady-state high flow rate has been reached. This high flow rate pushed out a significant amount of the air in the bead pack and caused the return of a preferential flow pattern. Velocity maps indicated that local flow statistics were not the same for the before and after blow out conditions. It has been suggested and shown previously that a flow pattern can return to similar

Revealing the Link between Structural Relaxation and Dynamic Heterogeneity in Glass-Forming Liquids.

Science.gov (United States)

Wang, Lijin; Xu, Ning; Wang, W H; Guan, Pengfei

2018-03-23

Despite the use of glasses for thousands of years, the nature of the glass transition is still mysterious. On approaching the glass transition, the growth of dynamic heterogeneity has long been thought to play a key role in explaining the abrupt slowdown of structural relaxation. However, it still remains elusive whether there is an underlying link between structural relaxation and dynamic heterogeneity. Here, we unravel the link by introducing a characteristic time scale hiding behind an identical dynamic heterogeneity for various model glass-forming liquids. We find that the time scale corresponds to the kinetic fragility of liquids. Moreover, it leads to scaling collapse of both the structural relaxation time and dynamic heterogeneity for all liquids studied, together with a characteristic temperature associated with the same dynamic heterogeneity. Our findings imply that studying the glass transition from the viewpoint of dynamic heterogeneity is more informative than expected.

Revealing the Link between Structural Relaxation and Dynamic Heterogeneity in Glass-Forming Liquids

Science.gov (United States)

Wang, Lijin; Xu, Ning; Wang, W. H.; Guan, Pengfei

2018-03-01

Despite the use of glasses for thousands of years, the nature of the glass transition is still mysterious. On approaching the glass transition, the growth of dynamic heterogeneity has long been thought to play a key role in explaining the abrupt slowdown of structural relaxation. However, it still remains elusive whether there is an underlying link between structural relaxation and dynamic heterogeneity. Here, we unravel the link by introducing a characteristic time scale hiding behind an identical dynamic heterogeneity for various model glass-forming liquids. We find that the time scale corresponds to the kinetic fragility of liquids. Moreover, it leads to scaling collapse of both the structural relaxation time and dynamic heterogeneity for all liquids studied, together with a characteristic temperature associated with the same dynamic heterogeneity. Our findings imply that studying the glass transition from the viewpoint of dynamic heterogeneity is more informative than expected.

Dynamic Failure of Composite and Sandwich Structures

CERN Document Server

Abrate, Serge; Rajapakse, Yapa D S

2013-01-01

This book presents a broad view of the current state of the art regarding the dynamic response of composite and sandwich structures subjected to impacts and explosions. Each chapter combines a thorough assessment of the literature with original contributions made by the authors.  The first section deals with fluid-structure interactions in marine structures.  The first chapter focuses on hull slamming and particularly cases in which the deformation of the structure affects the motion of the fluid during the water entry of flexible hulls. Chapter 2 presents an extensive series of tests underwater and in the air to determine the effects of explosions on composite and sandwich structures.  Full-scale structures were subjected to significant explosive charges, and such results are extremely rare in the open literature.  Chapter 3 describes a simple geometrical theory of diffraction for describing the interaction of an underwater blast wave with submerged structures. The second section addresses the problem of...

Structure and dynamics of a silica melt in neutral confinement

Science.gov (United States)

Geske, Julian; Drossel, Barbara; Vogel, Michael

2017-04-01

We analyze the effects of spatial confinement on viscous silica using molecular dynamics simulations. For this purpose, we prepare a silica melt in a cylindrical pore, which is produced by pinning appropriate fractions of silicon and oxygen atoms in a bulk system after an equilibration period. In this way, the structure of the confined silica melt remains unaffected, while the confinement has a strong impact on the dynamics. We find that the structural relaxation of viscous silica is slowed down according to a double exponential law when approaching the pore wall. Moreover, we observe that static density correlations exist in the vicinity of the pore wall. Based on these effects, we determine dynamical and structural length scales of the silica melt. Both length scales show a similar increase upon cooling, with values on the order of the next-neighbor distances in the studied temperature range. Interestingly, we find no evidence that the growth of the length scales is affected by a fragile-to-strong transition of the silica melt. This observation casts serious doubts on the relevance of these length scales for the structural relaxation, at least for the studied glass former.

Solution structure and dynamics of melanoma inhibitory activity protein

International Nuclear Information System (INIS)

Lougheed, Julie C.; Domaille, Peter J.; Handel, Tracy M.

2002-01-01

Melanoma inhibitory activity (MIA) is a small secreted protein that is implicated in cartilage cell maintenance and melanoma metastasis. It is representative of a recently discovered family of proteins that contain a Src Homologous 3 (SH3) subdomain. While SH3 domains are normally found in intracellular proteins and mediate protein-protein interactions via recognition of polyproline helices, MIA is single-domain extracellular protein, and it probably binds to a different class of ligands.Here we report the assignments, solution structure, and dynamics of human MIA determined by heteronuclear NMR methods. The structures were calculated in a semi-automated manner without manual assignment of NOE crosspeaks, and have a backbone rmsd of 0.38 A over the ordered regions of the protein. The structure consists of an SH3-like subdomain with N- and C-terminal extensions of approximately 20 amino acids each that together form a novel fold. The rmsd between the solution structure and our recently reported crystal structure is 0.86 A over the ordered regions of the backbone, and the main differences are localized to the most dynamic regions of the protein. The similarity between the NMR and crystal structures supports the use of automated NOE assignments and ambiguous restraints to accelerate the calculation of NMR structures

Structure and dynamics of thylakoids in land plants

DEFF Research Database (Denmark)

Pribil, Mathias; Labs, Mathias; Leister, Dario

2014-01-01

Thylakoids of land plants have a bipartite structure, consisting of cylindrical grana stacks, made of membranous discs piled one on top of the other, and stroma lamellae which are helically wound around the cylinders. Protein complexes predominantly located in the stroma lamellae and grana end....... Depending on light conditions, thylakoid membranes undergo dynamic structural changes that involve alterations in granum diameter and height, vertical unstacking of grana, and swelling of the thylakoid lumen. This plasticity is realized predominantly by reorganization of the supramolecular structure...

Dynamic characteristics and structural response of the SWR 1000 under earthquake loading conditions

International Nuclear Information System (INIS)

Bielor, E.; Brettschuh, W.; Krutzik, N.J.; Tropp, R.

2001-01-01

Based on the conceptual design documentation of the SWR 1000 reactor building as well as specified representative seismological, and soil-dynamic input data, corresponding to prospective sites as a basis, the dynamic characteristics, as well as the in-structure dynamic response of the coupled vibrating structures have been elaborated. The structural design analysis was based on a 3-dimensional mathematical model of the building in which all details of the internal structures as well as the containment including the water in the pools were represented adequately. In order to demonstrate the influence of the soil-structure interaction effects on the dynamic response results, the soil was represented by two different assumptions. At first, considering the state of the art procedures, assuming frequency independent soil capabilities (equivalent stiffnesses and damping values), time domain calculations were carried out. In the second step, based on the frequency-dependency of the soil capabilities, frequency domain calculations were performed. The structural responses obtained by means of both procedures and the same mathematical model of the structures were evaluated and compared. The suitability of the preliminary design concept are discussed and the structural response results obtained on the basis of the bearing capacity and the stresses in the characteristic regions of the structure

Sierra Structural Dynamics Theory Manual

Energy Technology Data Exchange (ETDEWEB)

Reese, Garth M. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

2015-10-19

Sierra/SD provides a massively parallel implementation of structural dynamics finite element analysis, required for high fidelity, validated models used in modal, vibration, static and shock analysis of structural systems. This manual describes the theory behind many of the constructs in Sierra/SD. For a more detailed description of how to use Sierra/SD , we refer the reader to Sierra/SD, User's Notes . Many of the constructs in Sierra/SD are pulled directly from published material. Where possible, these materials are referenced herein. However, certain functions in Sierra/SD are specific to our implementation. We try to be far more complete in those areas. The theory manual was developed from several sources including general notes, a programmer notes manual, the user's notes and of course the material in the open literature. This page intentionally left blank.

Structure and dynamics of solutions

CERN Document Server

Ohtaki, H

2013-01-01

Recent advances in the study of structural and dynamic properties of solutions have provided a molecular picture of solute-solvent interactions. Although the study of thermodynamic as well as electronic properties of solutions have played a role in the development of research on the rate and mechanism of chemical reactions, such macroscopic and microscopic properties are insufficient for a deeper understanding of fast chemical and biological reactions. In order to fill the gap between the two extremes, it is necessary to know how molecules are arranged in solution and how they change their pos

Structure of amorphous GeSe{sub 9} by neutron diffraction and first-principles molecular dynamics: Impact of trajectory sampling and size effects

Energy Technology Data Exchange (ETDEWEB)

Le Roux, Sébastien; Massobrio, Carlo [Institut de Physique et de Chimie des Matériaux de Strasbourg, 23 rue du Loess, BP 43, F-67034 Strasbourg Cedex 2 (France); Bouzid, Assil [Chaire de Simulation à l’Echelle Atomique (CSEA), Ecole Polytechnique Fédérale de Lausanne (EPFL), CH-1015 Lausanne (Switzerland); Kim, Kye Yeop; Han, Seungwu [Department of Materials Science and Engineering, Seoul National University, Seoul 151-744 (Korea, Republic of); Zeidler, Anita; Salmon, Philip S. [Department of Physics, University of Bath, Bath BA2 7AY (United Kingdom)

2016-08-28

The structure of glassy GeSe{sub 9} was investigated by combining neutron diffraction with density-functional-theory-based first-principles molecular dynamics. In the simulations, three different models of N = 260 atoms were prepared by sampling three independent temporal trajectories, and the glass structures were found to be substantially different from those obtained for models in which smaller numbers of atoms or more rapid quench rates were employed. In particular, the overall network structure is based on Se{sub n} chains that are cross-linked by Ge(Se{sub 4}){sub 1/2} tetrahedra, where the latter are predominantly corner as opposed to edge sharing. The occurrence of a substantial proportion of Ge–Se–Se connections does not support a model in which the material is phase separated into Se-rich and GeSe{sub 2}-rich domains. The appearance of a first-sharp diffraction peak in the Bhatia-Thornton concentration-concentration partial structure factor does, however, indicate a non-uniform distribution of the Ge-centered structural motifs on an intermediate length scale.

Dynamical, structural and chemical heterogeneities in a binary metallic glass-forming liquid

Science.gov (United States)

Puosi, F.; Jakse, N.; Pasturel, A.

2018-04-01

As it approaches the glass transition, particle motion in liquids becomes highly heterogeneous and regions with virtually no mobility coexist with liquid-like domains. This complex dynamic is believed to be responsible for different phenomena including non-exponential relaxation and the breakdown of the Stokes-Einstein relation. Understanding the relationships between dynamical heterogeneities and local structure in metallic liquids and glasses is a major scientific challenge. Here we use classical molecular dynamics simulations to study the atomic dynamics and microscopic structure of Cu50Zr50 alloy in the supercooling regime. Dynamical heterogeneities are identified via an isoconfigurational analysis. We demonstrate the transition from isolated to clustering low mobility with decreasing temperature. These slow clusters, whose sizes grow upon cooling, are also associated with concentration fluctuations, characterized by a Zr-enriched phase, with a composition CuZr2 . In addition, a structural analysis of slow clusters based on Voronoi tessellation evidences an increase with respect of the bulk system of the fraction of Cu atoms having a local icosahedral order. These results are in agreement with the consolidated scenario of the relevant role played by icosahedral order in the dynamic slowing-down in supercooled metal alloys.

Evolutionary game dynamics in a growing structured population

Energy Technology Data Exchange (ETDEWEB)

Poncela, Julia; Gomez-Gardenes, Jesus; Moreno, Yamir [Institute for Biocomputation and Physics of Complex Systems (BIFI), University of Zaragoza, E-50009 Zaragoza (Spain); Traulsen, Arne [Emmy-Noether Group for Evolutionary Dynamics, Department of Evolutionary Ecology, Max Planck Institute for Evolutionary Biology, August-Thienemann-Strasse 2, 24306 Ploen (Germany)], E-mail: traulsen@evolbio.mpg.de

2009-08-15

We discuss a model for evolutionary game dynamics in a growing, network-structured population. In our model, new players can either make connections to random preexisting players or preferentially attach to those that have been successful in the past. The latter depends on the dynamics of strategies in the game, which we implement following the so-called Fermi rule such that the limits of weak and strong strategy selection can be explored. Our framework allows to address general evolutionary games. With only two parameters describing the preferential attachment and the intensity of selection, we describe a wide range of network structures and evolutionary scenarios. Our results show that even for moderate payoff preferential attachment, over represented hubs arise. Interestingly, we find that while the networks are growing, high levels of cooperation are attained, but the same network structure does not promote cooperation as a static network. Therefore, the mechanism of payoff preferential attachment is different to those usually invoked to explain the promotion of cooperation in static, already-grown networks.

Evolutionary game dynamics in a growing structured population

International Nuclear Information System (INIS)

Poncela, Julia; Gomez-Gardenes, Jesus; Moreno, Yamir; Traulsen, Arne

2009-01-01

We discuss a model for evolutionary game dynamics in a growing, network-structured population. In our model, new players can either make connections to random preexisting players or preferentially attach to those that have been successful in the past. The latter depends on the dynamics of strategies in the game, which we implement following the so-called Fermi rule such that the limits of weak and strong strategy selection can be explored. Our framework allows to address general evolutionary games. With only two parameters describing the preferential attachment and the intensity of selection, we describe a wide range of network structures and evolutionary scenarios. Our results show that even for moderate payoff preferential attachment, over represented hubs arise. Interestingly, we find that while the networks are growing, high levels of cooperation are attained, but the same network structure does not promote cooperation as a static network. Therefore, the mechanism of payoff preferential attachment is different to those usually invoked to explain the promotion of cooperation in static, already-grown networks.

Molecular Dynamics-based Simulations of Bulk/Interfacial Structures and Diffusion Behaviors in Nuclear Waste Glasses

Energy Technology Data Exchange (ETDEWEB)

Du, Jincheng

2018-03-16

This NEUP Project aimed to generate accurate atomic structural models of nuclear waste glasses by using large-scale molecular dynamics-based computer simulations and to use these models to investigate self-diffusion behaviors, interfacial structures, and hydrated gel structures formed during dissolution of these glasses. The goal was to obtain realistic and accurate short and medium range structures of these complex oxide glasses, to provide a mechanistic understanding of the dissolution behaviors, and to generate reliable information with predictive power in designing nuclear waste glasses for long-term geological storage. Looking back of the research accomplishments of this project, most of the scientific goals initially proposed have been achieved through intensive research in the three and a half year period of the project. This project has also generated a wealth of scientific data and vibrant discussions with various groups through collaborations within and outside of this project. Throughout the project one book chapter and 14 peer reviewed journal publications have been generated (including one under review) and 16 presentations (including 8 invited talks) have been made to disseminate the results of this project in national and international conference. Furthermore, this project has trained several outstanding graduate students and young researchers for future workforce in nuclear related field, especially on nuclear waste immobilization. One postdoc and four PhD students have been fully or partially supported through the project with intensive training in the field material science and engineering with expertise on glass science and nuclear waste disposal

Structural Dynamics of Education Reforms and Quality of Primary Education in Uganda

Science.gov (United States)

Nyenje, Aida

2016-01-01

This paper examines Uganda's recent undertaking to reform her Primary School education System with a focus on the effect of structural dynamics of education reforms and the quality of primary education. Structural dynamics in the context of this study is in reference to the organizational composition of the education system at the government,…

Dynamics of a physiologically structured population in a time-varying environment

DEFF Research Database (Denmark)

Heilmann, Irene Louise Torpe; Starke, Jens; Andersen, Ken Haste

2016-01-01

Physiologically structured population models have become a valuable tool to model the dynamics of populations. In a stationary environment such models can exhibit equilibrium solutions as well as periodic solutions. However, for many organisms the environment is not stationary, but varies more...... or less regularly. In order to understand the interaction between an external environmental forcing and the internal dynamics in a population, we examine the response of a physiologically structured population model to a periodic variation in the food resource. We explore the addition of forcing in two...... cases: (A) where the population dynamics is in equilibrium in a stationary environment, and (B) where the population dynamics exhibits a periodic solution in a stationary environment. When forcing is applied in case A, the solutions are mainly periodic. In case B the forcing signal interacts...

Structure and dynamics of the solar chromosphere

NARCIS (Netherlands)

Krijger, Johannes Mattheus

2002-01-01

The thesis "Structure and dynamics of the solar chromosphere" of J.M. Krijger is a study on the behavior of the solar chromosphere, the thin layer just above the solar surface (photosphere) visible in purple red light during a total solar eclipse. The most important result of this thesis is that the

Emergent dynamic structures and statistical law in spherical lattice gas automata

Science.gov (United States)

Yao, Zhenwei

2017-12-01

Various lattice gas automata have been proposed in the past decades to simulate physics and address a host of problems on collective dynamics arising in diverse fields. In this work, we employ the lattice gas model defined on the sphere to investigate the curvature-driven dynamic structures and analyze the statistical behaviors in equilibrium. Under the simple propagation and collision rules, we show that the uniform collective movement of the particles on the sphere is geometrically frustrated, leading to several nonequilibrium dynamic structures not found in the planar lattice, such as the emergent bubble and vortex structures. With the accumulation of the collision effect, the system ultimately reaches equilibrium in the sense that the distribution of the coarse-grained speed approaches the two-dimensional Maxwell-Boltzmann distribution despite the population fluctuations in the coarse-grained cells. The emergent regularity in the statistical behavior of the system is rationalized by mapping our system to a generalized random walk model. This work demonstrates the capability of the spherical lattice gas automaton in revealing the lattice-guided dynamic structures and simulating the equilibrium physics. It suggests the promising possibility of using lattice gas automata defined on various curved surfaces to explore geometrically driven nonequilibrium physics.

Emergent dynamic structures and statistical law in spherical lattice gas automata.

Science.gov (United States)

Yao, Zhenwei

2017-12-01

Various lattice gas automata have been proposed in the past decades to simulate physics and address a host of problems on collective dynamics arising in diverse fields. In this work, we employ the lattice gas model defined on the sphere to investigate the curvature-driven dynamic structures and analyze the statistical behaviors in equilibrium. Under the simple propagation and collision rules, we show that the uniform collective movement of the particles on the sphere is geometrically frustrated, leading to several nonequilibrium dynamic structures not found in the planar lattice, such as the emergent bubble and vortex structures. With the accumulation of the collision effect, the system ultimately reaches equilibrium in the sense that the distribution of the coarse-grained speed approaches the two-dimensional Maxwell-Boltzmann distribution despite the population fluctuations in the coarse-grained cells. The emergent regularity in the statistical behavior of the system is rationalized by mapping our system to a generalized random walk model. This work demonstrates the capability of the spherical lattice gas automaton in revealing the lattice-guided dynamic structures and simulating the equilibrium physics. It suggests the promising possibility of using lattice gas automata defined on various curved surfaces to explore geometrically driven nonequilibrium physics.

Revealing Hidden Structural Order Controlling Both Fast and Slow Glassy Dynamics in Supercooled Liquids

Directory of Open Access Journals (Sweden)

Hua Tong

2018-03-01

Full Text Available The dynamics of a supercooled liquid near the glass transition is characterized by two-step relaxation, fast β and slow α relaxations. Because of the apparently disordered nature of glassy structures, there have been long debates over whether the origin of drastic slowing-down of the α relaxation accompanied by heterogeneous dynamics is thermodynamic or dynamic. Furthermore, it has been elusive whether there is any deep connection between fast β and slow α modes. To settle these issues, here we introduce a set of new structural order parameters characterizing sterically favored structures with high local packing capability, and then access structure-dynamics correlation by a novel nonlocal approach. We find that the particle mobility is under control of the static order parameter field. The fast β process is controlled by the instantaneous order parameter field locally, resulting in short-time particle-scale dynamics. Then the mobility field progressively develops with time t, following the initial order parameter field from disorder to more ordered regions. As is well known, the heterogeneity in the mobility field (dynamic heterogeneity is maximized with a characteristic length ξ_{4}, when t reaches the relaxation time τ_{α}. We discover that this mobility pattern can be predicted solely by a spatial coarse graining of the initial order parameter field at t=0 over a length ξ without any dynamical information. Furthermore, we find a relation ξ∼ξ_{4}, indicating that the static length ξ grows coherently with the dynamic one ξ_{4} upon cooling. This further suggests an intrinsic link between τ_{α} and ξ: the growth of the static length ξ is the origin of dynamical slowing-down. These we confirm for the first time in binary glass formers both in two and three spatial dimensions. Thus, a static structure has two intrinsic characteristic lengths, particle size and ξ, which control dynamics in local and nonlocal manners, resulting

Revealing Hidden Structural Order Controlling Both Fast and Slow Glassy Dynamics in Supercooled Liquids

Science.gov (United States)

Tong, Hua; Tanaka, Hajime

2018-01-01

The dynamics of a supercooled liquid near the glass transition is characterized by two-step relaxation, fast β and slow α relaxations. Because of the apparently disordered nature of glassy structures, there have been long debates over whether the origin of drastic slowing-down of the α relaxation accompanied by heterogeneous dynamics is thermodynamic or dynamic. Furthermore, it has been elusive whether there is any deep connection between fast β and slow α modes. To settle these issues, here we introduce a set of new structural order parameters characterizing sterically favored structures with high local packing capability, and then access structure-dynamics correlation by a novel nonlocal approach. We find that the particle mobility is under control of the static order parameter field. The fast β process is controlled by the instantaneous order parameter field locally, resulting in short-time particle-scale dynamics. Then the mobility field progressively develops with time t , following the initial order parameter field from disorder to more ordered regions. As is well known, the heterogeneity in the mobility field (dynamic heterogeneity) is maximized with a characteristic length ξ4, when t reaches the relaxation time τα. We discover that this mobility pattern can be predicted solely by a spatial coarse graining of the initial order parameter field at t =0 over a length ξ without any dynamical information. Furthermore, we find a relation ξ ˜ξ4, indicating that the static length ξ grows coherently with the dynamic one ξ4 upon cooling. This further suggests an intrinsic link between τα and ξ : the growth of the static length ξ is the origin of dynamical slowing-down. These we confirm for the first time in binary glass formers both in two and three spatial dimensions. Thus, a static structure has two intrinsic characteristic lengths, particle size and ξ , which control dynamics in local and nonlocal manners, resulting in the emergence of the two

Green partial packet recovery in wireless sensor networks

KAUST Repository

Daghistani, Anas; Ben Khalifa, Abderrahman; Showail, Ahmad; Shihada, Basem

2015-01-01

wireless sensor motes. We propose Green-Frag, a novel adaptive partial packet recovery mechanism that is energy friendly. It can help prolonging the battery life of wireless sensor motes that are usually resource constrained. It dynamically partitions

Functional clustering in hippocampal cultures: relating network structure and dynamics

International Nuclear Information System (INIS)

Feldt, S; Dzakpasu, R; Olariu, E; Żochowski, M; Wang, J X; Shtrahman, E

2010-01-01

In this work we investigate the relationship between gross anatomic structural network properties, neuronal dynamics and the resultant functional structure in dissociated rat hippocampal cultures. Specifically, we studied cultures as they developed under two conditions: the first supporting glial cell growth (high glial group), and the second one inhibiting it (low glial group). We then compared structural network properties and the spatio-temporal activity patterns of the neurons. Differences in dynamics between the two groups could be linked to the impact of the glial network on the neuronal network as the cultures developed. We also implemented a recently developed algorithm called the functional clustering algorithm (FCA) to obtain the resulting functional network structure. We show that this new algorithm is useful for capturing changes in functional network structure as the networks evolve over time. The FCA detects changes in functional structure that are consistent with expected dynamical differences due to the impact of the glial network. Cultures in the high glial group show an increase in global synchronization as the cultures age, while those in the low glial group remain locally synchronized. We additionally use the FCA to quantify the amount of synchronization present in the cultures and show that the total level of synchronization in the high glial group is stronger than in the low glial group. These results indicate an interdependence between the glial and neuronal networks present in dissociated cultures

Structures and dynamics in a two-dimensional dipolar dust particle system

Science.gov (United States)

Hou, X. N.; Liu, Y. H.; Kravchenko, O. V.; Lapushkina, T. A.; Azarova, O. A.; Chen, Z. Y.; Huang, F.

2018-05-01

The effects of electric dipole moment, the number of dipolar particles, and system temperature on the structures and dynamics of a dipolar dust particle system are studied by molecular dynamics simulations. The results show that the larger electric dipole moment is favorable for the formation of a long-chain structure, the larger number of dipolar dust particles promotes the formation of the multi-chain structure, and the higher system temperature can cause higher rotation frequency. The trajectories, mean square displacement (MSD), and the corresponding spectrum functions of the MSDs are also calculated to illustrate the dynamics of the dipolar dust particle system, which is also closely related to the growth of dust particles. Some simulations are qualitatively in agreement with our experiments and can provide a guide for the study on dust growth, especially on the large-sized particles.

Elements of earthquake engineering and structural dynamics. 2. ed.

International Nuclear Information System (INIS)

Filiatrault, A.

2002-01-01

This book is written for practising engineers, senior undergraduate and junior structural-engineering students, and university educators. Its main goal is to provide basic knowledge to structural engineers who have no previous knowledge about earthquake engineering and structural dynamics. Earthquake engineering is a multidisciplinary science. This book is not limited to structural analysis and design. The basics of other relevant topics (such as geology, seismology, and geotechnical engineering) are also covered to ensure that structural engineers can interact efficiently with other specialists during a construction project in a seismic zone

Effectiveness of multi tuned liquid dampers with slat screens for reducing dynamic responses of structures

Science.gov (United States)

Nguyen, T. P.; Pham, D. T.; Ngo, K. T.

2018-04-01

Reducing vibration in structures under lateral load always attracts many researchers in during pastime, hence the mainly purpose of paper analyzes effectiveness of multiple-tuned liquid dampers for reducing dynamic responses of structures under ground acceleration of earthquakes. In this study, the multi-tuned liquid damper with slat screens (M-TLDWSS) is considered in detail for analyzing dynamic response of multi-degrees of freedom structure due to earthquake, which is more different previous studies. Then, the general equation of motion of the structure and M-TLDWSS under ground acceleration of earthquake is established based on dynamic balance of principle and solved by numerical method in the time domain. The effects of characteristic parameters of M-TLDWSS on dynamic response of the structure are investigated. The results obtained in this study demonstrate that the M-TLDWSS has significantly effectiveness for reducing dynamic response of the structure.

Dynamics of Correlation Structure in Stock Market

Directory of Open Access Journals (Sweden)

Maman Abdurachman Djauhari

2014-01-01

Full Text Available In this paper a correction factor for Jennrich’s statistic is introduced in order to be able not only to test the stability of correlation structure, but also to identify the time windows where the instability occurs. If Jennrich’s statistic is only to test the stability of correlation structure along predetermined non-overlapping time windows, the corrected statistic provides us with the history of correlation structure dynamics from time window to time window. A graphical representation will be provided to visualize that history. This information is necessary to make further analysis about, for example, the change of topological properties of minimal spanning tree. An example using NYSE data will illustrate its advantages.

The basic approach to age-structured population dynamics models, methods and numerics

CERN Document Server

Iannelli, Mimmo

2017-01-01

This book provides an introduction to age-structured population modeling which emphasises the connection between mathematical theory and underlying biological assumptions. Through the rigorous development of the linear theory and the nonlinear theory alongside numerics, the authors explore classical equations that describe the dynamics of certain ecological systems. Modeling aspects are discussed to show how relevant problems in the fields of demography, ecology, and epidemiology can be formulated and treated within the theory. In particular, the book presents extensions of age-structured modelling to the spread of diseases and epidemics while also addressing the issue of regularity of solutions, the asymptotic behaviour of solutions, and numerical approximation. With sections on transmission models, non-autonomous models and global dynamics, this book fills a gap in the literature on theoretical population dynamics. The Basic Approach to Age-Structured Population Dynamics will appeal to graduate students an...

Structural, Dynamic, and Vibrational Properties during Heat Transfer in Si/Ge Superlattices: A Car-Parrinello Molecular Dynamics Study

OpenAIRE

Ji, Pengfei; Zhang, Yuwen; Yang, Mo

2016-01-01

The structural, dynamic, and vibrational properties during the heat transfer process in Si/Ge superlattices, are studied by analyzing the trajectories generated by the ab initio Car-Parrinello molecular dynamics simulation. The radial distribution functions and mean square displacements are calculated and further discussions are made to explain and probe the structural changes relating to the heat transfer phenomenon. Furthermore, the vibrational density of states of the two layers (Si/Ge) ar...

Impact of constrained rewiring on network structure and node dynamics

Science.gov (United States)

Rattana, P.; Berthouze, L.; Kiss, I. Z.

2014-11-01

In this paper, we study an adaptive spatial network. We consider a susceptible-infected-susceptible (SIS) epidemic on the network, with a link or contact rewiring process constrained by spatial proximity. In particular, we assume that susceptible nodes break links with infected nodes independently of distance and reconnect at random to susceptible nodes available within a given radius. By systematically manipulating this radius we investigate the impact of rewiring on the structure of the network and characteristics of the epidemic. We adopt a step-by-step approach whereby we first study the impact of rewiring on the network structure in the absence of an epidemic, then with nodes assigned a disease status but without disease dynamics, and finally running network and epidemic dynamics simultaneously. In the case of no labeling and no epidemic dynamics, we provide both analytic and semianalytic formulas for the value of clustering achieved in the network. Our results also show that the rewiring radius and the network's initial structure have a pronounced effect on the endemic equilibrium, with increasingly large rewiring radiuses yielding smaller disease prevalence.

Structure and Dynamics of Urea/Water Mixtures Investigated by Vibrational Spectroscopy and Molecular Dynamics Simulation