WorldWideScience

Sample records for dynamic structural effects

  1. 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.).

  2. 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.

  3. 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)

  4. 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.  

  5. 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.

  6. 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)

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

    OpenAIRE

    Mahmoudpour, Sanaz; Attarnejad, Reza; Behnia, Cambyse

    2011-01-01

    Analysis and design of structures subjected to arbitrary dynamic loadings especially earthquakes have been studied during past decades. In practice, the effects of soil-structure interaction on the dynamic response of structures are usually neglected. In this study, the effect of soil-structure interaction on the dynamic response of structures has been examined. The substructure method using dynamic stiffness of soil is used to analyze soil-structure system. A coupled model based on finite el...

  8. 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.

  9. The effect of rotatory inertia on the dynamic response of cantilever structures

    International Nuclear Information System (INIS)

    Lin, Y.J.; Hadjian, A.H.

    1977-01-01

    For the dynamic response of cantilever beams, the error introduced by the bending theory becomes significant as the ratio of the radius of gyration to the beam length (r/l), exceeds 0.1. In this case, the use of Timoshenko's beam equation becomes more appropriate. This equation includes, in addition to the bending effects, both shear deformation and rotatory inertia effects. In the discrete modeling of beam elements, both the shear deformation and rotatory inertia terms play roles in the mass matrix, while only the shear deformation terms appear in the stiffness matrix. The effect of rotatory inertia on the frequencies and dynamic response of cantilever structures subjected to lateral earthquake excitation is thoroughly studied. This is done by using both the consistent and lumped mass matrices and analytical solution. The beam support is treated either as fixed or elastically restrained to consider soil-structure interaction effects. Since containment structures can be treated as hollow beams, the cantilever beam of uniform cross-section is examined first. For those cases where the ratio of the radius of gyration to beam length lies within the range of interest, all the solutions show that rotatory inertia has an important impact on both the frequencies (other than that of the fundamental mode) and the vertical component of the response. However, as the soil-structure interaction effects become significant rotatory inertia effects become secondary. For shear wall structures used in nuclear power plants, the floors may be treated as rigid diaphragms and the shear walls between floors are usually considered to be beam elements of uniform cross-section

  10. 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

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

    Science.gov (United States)

    2009-11-13

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

  12. Effects of single nucleotide polymorphisms on human N-acetyltransferase 2 structure and dynamics by molecular dynamics simulation.

    Directory of Open Access Journals (Sweden)

    M Rajasekaran

    Full Text Available BACKGROUND: Arylamine N-acetyltransferase 2 (NAT2 is an important catalytic enzyme that metabolizes the carcinogenic arylamines, hydrazine drugs and chemicals. This enzyme is highly polymorphic in different human populations. Several polymorphisms of NAT2, including the single amino acid substitutions R64Q, I114T, D122N, L137F, Q145P, R197Q, and G286E, are classified as slow acetylators, whereas the wild-type NAT2 is classified as a fast acetylator. The slow acetylators are often associated with drug toxicity and efficacy as well as cancer susceptibility. The biological functions of these 7 mutations have previously been characterized, but the structural basis behind the reduced catalytic activity and reduced protein level is not clear. METHODOLOGY/PRINCIPAL FINDINGS: We performed multiple molecular dynamics simulations of these mutants as well as NAT2 to investigate the structural and dynamical effects throughout the protein structure, specifically the catalytic triad, cofactor binding site, and the substrate binding pocket. None of these mutations induced unfolding; instead, their effects were confined to the inter-domain, domain 3 and 17-residue insert region, where the flexibility was significantly reduced relative to the wild-type. Structural effects of these mutations propagate through space and cause a change in catalytic triad conformation, cofactor binding site, substrate binding pocket size/shape and electrostatic potential. CONCLUSIONS/SIGNIFICANCE: Our results showed that the dynamical properties of all the mutant structures, especially in inter-domain, domain 3 and 17-residue insert region were affected in the same manner. Similarly, the electrostatic potential of all the mutants were altered and also the functionally important regions such as catalytic triad, cofactor binding site, and substrate binding pocket adopted different orientation and/or conformation relative to the wild-type that may affect the functions of the mutants

  13. Effects of foundation modeling on dynamic response of a soil- structure system

    International Nuclear Information System (INIS)

    Chen, J.C.; Tabatabaie, M.

    1996-07-01

    This paper presents the results of our investigation to evaluate the effectiveness of different foundation modeling techniques used in soil-structure interaction analyses. The study involved analysis of three different modeling techniques applied to two different foundation configurations (one with a circular and one with a square shape). The results of dynamic response of a typical nuclear power plant structure supported on such foundations are presented

  14. 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

  15. Using nonlinearity and spatiotemporal property modulation to control effective structural properties: dynamic rods

    DEFF Research Database (Denmark)

    Thomsen, Jon Juel; Blekhman, Iliya I.

    2007-01-01

    What are the effective properties of a generally nonlinear material or structure, whose local properties are modulated in both space and time? It has been suggested to use spatiotemporal modulation of structural properties to create materials and structures with adjustable effective properties......, and to call these dynamic materials or spatiotemporal composites. Also, according to theoretical predictions, structural nonlinearity enhances the possibilities of achieving specific effective properties. For example, with an elastic rod having cubical elastic nonlinearities, it seems possible to control......, and exemplified. Then simple approximate analytical expressions are derived for the effective wave speed and natural frequencies for one-dimensional wave propagation in a nonlinear elastic rod, where the spatiotemporal modulation is imposed as a high-frequency standing wave, supposed to be given. Finally the more...

  16. 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...

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

    Directory of Open Access Journals (Sweden)

    Sanaz Mahmoudpour

    2011-01-01

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

  18. 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...

  19. 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.

  20. 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)

  1. The effect of glycosylation on the transferrin structure: A molecular dynamic simulation analysis.

    Science.gov (United States)

    Ghanbari, Z; Housaindokht, M R; Bozorgmehr, M R; Izadyar, M

    2016-09-07

    Transferrins have been defined by the highly cooperative binding of iron and a carbonate anion to form a Fe-CO3-Tf ternary complex. As such, the layout of the binding site residues affects transferrin function significantly; In contrast to N-lobe, C-lobe binding site of the transferrin structure has been less characterized and little research which surveyed the interaction of carbonate with transferrin in the C-lobe binding site has been found. In the present work, molecular dynamic simulation was employed to gain access into the molecular level understanding of carbonate binding site and their interactions in each lobe. Residues responsible for carbonate binding of transferrin structure were pointed out. In addition, native human transferrin is a glycoprotein that two N-linked complex glycan chains located in the C-lobe. Usually, in the molecular dynamic simulation for simplifying, glycan is removed from the protein structure. Here, we explore the effect of glycosylation on the transferrin structure. Glycosylation appears to have an effect on the layout of the binding site residue and transferrin structure. On the other hand, sometimes the entire transferrin formed by separated lobes that it allows the results to be interpreted in a straightforward manner rather than more parameters required for full length protein. But, it should be noted that there are differences between the separated lobe and full length transferrin, hence, a comparative analysis by the molecular dynamic simulation was performed to investigate such structural variations. Results revealed that separation in C-lobe caused a significant structural variation in comparison to N-lobe. Consequently, the separated lobes and the full length one are different, showing the importance of the interlobe communication and the impact of the lobes on each other in the transferrin structure. Copyright © 2016 Elsevier Ltd. All rights reserved.

  2. 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).

  3. Effects of thermal cracking on the dynamic behavior of reinforced concrete containment structures

    International Nuclear Information System (INIS)

    Castellani, A.; Fontana, A.

    1977-01-01

    Thick concrete cylinders acted on by horizontal dynamic forces are analyzed. According to the dimensions they may simulate a containment structure or a reactor core support. In particular, the effects of thermal cracking on their dynamic behavior are investigated; up to now the tests are confined to vertical cracking which is likely to appear under a thermal gradient of approximately 35 to 45 0 C on the wall. At higher temperatures, the number and extension of these cracks increase, till a stabilized crack pattern is reached. This is the main subject of the present investigation. The horizontal forces call for a shear transmission along the crack. According to the literature, shear stresses can be transmitted by aggregate interlock, by shear friction, and by the dowel action provided by horizontal reinforcement. These effects may accomodate the shear transmission along the crack required to resist a given distribution of horizontal forces. On the other hand, the shear rigidity of the structure may be negatively affected by the cracking, depending on the crack width and distribution and on the amplitude of the applied forces. In this case a dynamic behavior of the structure is to be analyzed with proper consideration to the existing cracking

  4. Dynamical rescaling, the EMC effect and universality of hadron structure functions

    International Nuclear Information System (INIS)

    Close, F.E.

    1984-04-01

    Data are compared on the EMC effect, with the hypothesis that the quark confinement size increases in going from a free nucleon to a nucleus. In QCD a dynamical rescaling is predicted: Q 2 variation of the distribution function in a given target parallels the dependence on confinement size, R, at fixed Q 2 . Thus a dynamical scale invariance obtains when both R and Q 2 are varied, yielding the dynamical rescaling relation F 2 sup(A)(x, Q 2 ) = F 2 sup(N)(x, zetaQ 2 ) where zeta > 1 is predicted for any nucleus and is a function of the confinement size. Data on 12 nuclei agree with this, implying that confinement size is governed by nuclear density. The formalism is tested by relating the pion and nucleon structure functions. (author)

  5. Effect of short-chain branching on interfacial polymer structure and dynamics under shear flow.

    Science.gov (United States)

    Jeong, Sohdam; Kim, Jun Mo; Cho, Soowon; Baig, Chunggi

    2017-11-22

    We present a detailed analysis on the effect of short-chain branches on the structure and dynamics of interfacial chains using atomistic nonequilibrium molecular dynamics simulations of confined polyethylene melts in a wide range of shear rates. The intrinsically fast random motions of the short branches constantly disturb the overall chain conformation, leading to a more compact and less deformed chain structure of the short-chain branched (SCB) polymer against the imposed flow field in comparison with the corresponding linear polymer. Moreover, such highly mobile short branches along the backbone of the SCB polymer lead to relatively weaker out-of-plane wagging dynamics of interfacial chains, with highly curvy backbone structures in the intermediate flow regime. In conjunction with the contribution of short branches (as opposed to that of the backbone) to the total interfacial friction between the chains and the wall, the SCB polymer shows a nearly constant behavior in the degree of slip (d s ) with respect to shear rate in the weak-to-intermediate flow regimes. On the contrary, in the strong flow regime where irregular chain rotation and tumbling dynamics occur via intensive dynamical collisions between interfacial chains and the wall, an enhancement effect on the chain detachment from the wall, caused by short branches, leads to a steeper increase in d s for the SCB polymer than for the linear polymer. Remarkably, the SCB chains at the interface exhibit two distinct types of rolling mechanisms along the backbone, with a half-dumbbell mesoscopic structure at strong flow fields, in addition to the typical hairpin-like tumbling behavior displayed by the linear chains.

  6. 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

  7. 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.

  8. Effect of Space Vehicle Structure Vibration on Control Moment Gyroscope Dynamics

    Science.gov (United States)

    Dobrinskaya, Tatiana

    2008-01-01

    Control Moment Gyroscopes (CMGs) are used for non-propulsive attitude control of satellites and space stations, including the International Space Station (ISS). CMGs could be essential for future long duration space missions due to the fact that they help to save propellant. CMGs were successfully tested on the ground for many years, and have been successfully used on satellites. However, operations have shown that the CMG service life on the ISS is significantly shorter than predicted. Since the dynamic environment of the ISS differs greatly from the nominal environment of satellites, it was important to analyze how operations specific to the station (dockings and undockings, huge solar array motion, crew exercising, robotic operations, etc) can affect the CMG performance. This task became even more important since the first CMG failure onboard the ISS. The CMG failure resulted in the limitation of the attitude control capabilities, more propellant consumption, and additional operational issues. Therefore, the goal of this work was to find out how the vibrations of a space vehicle structure, caused by a variety of onboard operations, can affect the CMG dynamics and performance. The equations of CMG motion were derived and analyzed for the case when the gyro foundation can vibrate in any direction. The analysis was performed for unbalanced CMG gimbals to match the CMG configuration on ISS. The analysis showed that vehicle structure vibrations can amplify and significantly change the CMG motion if the gyro gimbals are unbalanced in flight. The resonance frequencies were found. It was shown that the resonance effect depends on the magnitude of gimbal imbalance, on the direction of a structure vibration, and on gimbal bearing friction. Computer modeling results of CMG dynamics affected by the external vibration are presented. The results can explain some of the CMG vibration telemetry observed on ISS. This work shows that balancing the CMG gimbals decreases the effect

  9. 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

  10. The effect of dynamical quark mass on the calculation of a strange quark star's structure

    Institute of Scientific and Technical Information of China (English)

    Gholam Hossein Bordbar; Babak Ziaei

    2012-01-01

    We discuss the dynamical behavior of strange quark matter components,in particular the effects of density dependent quark mass on the equation of state of strange quark matter.The dynamical masses of quarks are computed within the Nambu-Jona-Lasinio model,then we perform strange quark matter calculations employing the MIT bag model with these dynamical masses.For the sake of comparing dynamical mass interaction with QCD quark-quark interaction,we consider the one-gluon-exchange term as the effective interaction between quarks for the MIT bag model.Our dynamical approach illustrates an improvement in the obtained equation of state values.We also investigate the structure of the strange quark star using TolmanOppenheimer-Volkoff equations for all applied models.Our results show that dynamical mass interaction leads to lower values for gravitational mass.

  11. 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.

  12. 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

  13. 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.

  14. Climate effects and feedback structure determining weed population dynamics in a long-term experiment.

    Science.gov (United States)

    Lima, Mauricio; Navarrete, Luis; González-Andujar, José Luis

    2012-01-01

    Pest control is one of the areas in which population dynamic theory has been successfully applied to solve practical problems. However, the links between population dynamic theory and model construction have been less emphasized in the management and control of weed populations. Most management models of weed population dynamics have emphasized the role of the endogenous process, but the role of exogenous variables such as climate have been ignored in the study of weed populations and their management. Here, we use long-term data (22 years) on two annual weed species from a locality in Central Spain to determine the importance of endogenous and exogenous processes (local and large-scale climate factors). Our modeling study determined two different feedback structures and climate effects in the two weed species analyzed. While Descurainia sophia exhibited a second-order feedback and low climate influence, Veronica hederifolia was characterized by a first-order feedback structure and important effects from temperature and rainfall. Our results strongly suggest the importance of theoretical population dynamics in understanding plant population systems. Moreover, the use of this approach, discerning between the effect of exogenous and endogenous factors, can be fundamental to applying weed management practices in agricultural systems and to controlling invasive weedy species. This is a radical change from most approaches currently used to guide weed and invasive weedy species managements.

  15. Climate Effects and Feedback Structure Determining Weed Population Dynamics in a Long-Term Experiment

    Science.gov (United States)

    Lima, Mauricio; Navarrete, Luis; González-Andujar, José Luis

    2012-01-01

    Pest control is one of the areas in which population dynamic theory has been successfully applied to solve practical problems. However, the links between population dynamic theory and model construction have been less emphasized in the management and control of weed populations. Most management models of weed population dynamics have emphasized the role of the endogenous process, but the role of exogenous variables such as climate have been ignored in the study of weed populations and their management. Here, we use long-term data (22 years) on two annual weed species from a locality in Central Spain to determine the importance of endogenous and exogenous processes (local and large-scale climate factors). Our modeling study determined two different feedback structures and climate effects in the two weed species analyzed. While Descurainia sophia exhibited a second-order feedback and low climate influence, Veronica hederifolia was characterized by a first-order feedback structure and important effects from temperature and rainfall. Our results strongly suggest the importance of theoretical population dynamics in understanding plant population systems. Moreover, the use of this approach, discerning between the effect of exogenous and endogenous factors, can be fundamental to applying weed management practices in agricultural systems and to controlling invasive weedy species. This is a radical change from most approaches currently used to guide weed and invasive weedy species managements. PMID:22272362

  16. Climate effects and feedback structure determining weed population dynamics in a long-term experiment.

    Directory of Open Access Journals (Sweden)

    Mauricio Lima

    Full Text Available Pest control is one of the areas in which population dynamic theory has been successfully applied to solve practical problems. However, the links between population dynamic theory and model construction have been less emphasized in the management and control of weed populations. Most management models of weed population dynamics have emphasized the role of the endogenous process, but the role of exogenous variables such as climate have been ignored in the study of weed populations and their management. Here, we use long-term data (22 years on two annual weed species from a locality in Central Spain to determine the importance of endogenous and exogenous processes (local and large-scale climate factors. Our modeling study determined two different feedback structures and climate effects in the two weed species analyzed. While Descurainia sophia exhibited a second-order feedback and low climate influence, Veronica hederifolia was characterized by a first-order feedback structure and important effects from temperature and rainfall. Our results strongly suggest the importance of theoretical population dynamics in understanding plant population systems. Moreover, the use of this approach, discerning between the effect of exogenous and endogenous factors, can be fundamental to applying weed management practices in agricultural systems and to controlling invasive weedy species. This is a radical change from most approaches currently used to guide weed and invasive weedy species managements.

  17. 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.

  18. A structural dynamic factor model for the effects of monetary policy estimated by the EM algorithm

    DEFF Research Database (Denmark)

    Bork, Lasse

    This paper applies the maximum likelihood based EM algorithm to a large-dimensional factor analysis of US monetary policy. Specifically, economy-wide effects of shocks to the US federal funds rate are estimated in a structural dynamic factor model in which 100+ US macroeconomic and financial time...... series are driven by the joint dynamics of the federal funds rate and a few correlated dynamic factors. This paper contains a number of methodological contributions to the existing literature on data-rich monetary policy analysis. Firstly, the identification scheme allows for correlated factor dynamics...... as opposed to the orthogonal factors resulting from the popular principal component approach to structural factor models. Correlated factors are economically more sensible and important for a richer monetary policy transmission mechanism. Secondly, I consider both static factor loadings as well as dynamic...

  19. 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)

  20. 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.

  1. 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.

  2. 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.

  3. 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.

  4. 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...

  5. Structural relaxation dynamics and annealing effects of sodium silicate glass.

    Science.gov (United States)

    Naji, Mohamed; Piazza, Francesco; Guimbretière, Guillaume; Canizarès, Aurélien; Vaills, Yann

    2013-05-09

    Here we report high-precision measurements of structural relaxation dynamics in the glass transition range at the intermediate and short length scale for a strong sodium silicate glass during long annealing times. We evidence for the first time the heterogeneous dynamics at the intermediate range order by probing the acoustic longitudinal frequency in the GHz region by Brillouin light scattering spectroscopy. Or, from in-situ Raman measurements, we show that relaxation is indeed homogeneous at the interatomic length scale. Our results show that the dynamics at the intermediate range order contains two distinct relaxation time scales, a fast and a slow component, differing by about a 10-fold factor below Tg and approaching to one another past the glass transition. The slow relaxation time agrees with the shear relaxation time, proving that Si-O bond breaking constitutes the primary control of structural relaxation at the intermediate range order.

  6. 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.

  7. 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.

  8. 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.

  9. Effects of Structural Transparency in System Dynamics Simulators on Performance and Understanding

    Directory of Open Access Journals (Sweden)

    Birgit Kopainsky

    2015-10-01

    Full Text Available Prior exploration is an instructional strategy that has improved performance and understanding in system-dynamics-based simulators, but only to a limited degree. This study investigates whether model transparency, that is, showing users the internal structure of models, can extend the prior exploration strategy and improve learning even more. In an experimental study, participants in a web-based simulation learned about and managed a small developing nation. All participants were provided the prior exploration strategy but only half received prior exploration embedded in a structure-behavior diagram intended to make the underlying model’s structure more transparent. Participants provided with the more transparent strategy demonstrated better understanding of the underlying model. Their performance, however, was the equivalent to those in the less transparent condition. Combined with previous studies, our results suggest that while prior exploration is a beneficial strategy for both performance and understanding, making the model structure transparent with structure-behavior diagrams is more limited in its effect.

  10. Effects of seed magnetic fields on magnetohydrodynamic implosion structure and dynamics

    KAUST Repository

    Mostert, W.

    2014-12-01

    The effects of various seed magnetic fields on the dynamics of cylindrical and spherical implosions in ideal magnetohydrodynamics are investigated. Here, we present a fundamental investigation of this problem utilizing cylindrical and spherical Riemann problems under three seed field configurations to initialize the implosions. The resulting flows are simulated numerically, revealing rich flow structures, including multiple families of magnetohydrodynamic shocks and rarefactions that interact non-linearly. We fully characterize these flow structures, examine their axi- and spherisymmetry-breaking behaviour, and provide data on asymmetry evolution for different field strengths and driving pressures for each seed field configuration. We find that out of the configurations investigated, a seed field for which the implosion centre is a saddle point in at least one plane exhibits the least degree of asymmetry during implosion.

  11. 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....

  12. 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.

  13. 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.

  14. 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

  15. 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

  16. 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 ...

  17. 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.

  18. 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....

  19. 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)

  20. 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.

  1. 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

  2. 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)

  3. Influence of the added mass effect and boundary conditions on the dynamic response of submerged and confined structures

    International Nuclear Information System (INIS)

    Valentín, D; Presas, A; Egusquiza, E; Valero, C

    2014-01-01

    The dynamic response of submerged and confined disk-like structures is of interest in the flied of hydraulic machinery, especially in hydraulic turbine runners. This response is difficult to be estimated with accuracy due to the strong influence of the boundary conditions. Small radial gaps as well as short axial distances to rigid surfaces greatly modify the dynamic response because the fact of the added mass and damping effects. Moreover, the effect of the shaft coupling is also important for certain mode-shapes of the structure. In the present study, the influence of the added mass effect and boundary conditions on the dynamic behavior of a submerged disk attached to a shaft is evaluated through experimental tests and structural- acoustic coupling numerical simulations. For the experimentation, a test rig has been developed. It consists of a confined disk attached to a shaft inside a cylindrical container full of water. The disk can be fixed at different axial positions along the shaft. Piezoelectric patches are used to excite the disk and the response is measured with submersible accelerometers. For each configuration tested, the natural frequencies of the disk and the shaft are studied. Numerical results have been compared with experimental results

  4. 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.

  5. 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.

  6. 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...

  7. 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.)

  8. Effects of supporting structures on dynamic response of nuclear power plant equipment and piping systems

    International Nuclear Information System (INIS)

    Stoykovich, M.

    1982-01-01

    This paper presents the evaluation of the effects of supporting structures in dynamic analysis of equipment or piping systems, which involves formulations for determining reduced stiffness and mass matrices associated with the number of degrees of freedom corresponding to the support nodal points of a finite element model. Also, evaluation of a composite damping matrix associated with different damping properties of supporting structures, equipment, and piping systems is considered. Determination of spring constants, effective masses and mass moments of inertia, and damping values as fractions of critical damping on the basis of the theory of rigid bases on the surfaces of an elastic halfspace is demonstrated

  9. 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.

  10. Dynamics effects on a wooden footbridge

    Directory of Open Access Journals (Sweden)

    Vašková Veronika

    2017-01-01

    Full Text Available The timber is the current trend for the construction of many footbridges because of many reasons as price, aesthetics and ecology. Most of these structures are designed using simple static models and massive elements. However, there are implemented more complicated constructions including suspended footbridge in Příbor in Czech Republic. This construction with efficient use of material is more susceptible to dynamic effect. The article describes monitoring of dynamics effects at the construction with result of installation dynamics dampers.

  11. 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...

  12. 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.

  13. 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.

  14. 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.

  15. 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,

  16. 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

  17. 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.

  18. 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.

  19. Effects of soil–structure interaction on real time dynamic response of offshore wind turbines on monopiles

    DEFF Research Database (Denmark)

    Damgaard, M.; Zania, Varvara; Andersen, L.V.

    2014-01-01

    , a computationally efficient modelling approach of including the dynamic soil–structure interaction into aeroelastic codes is presented with focus on monopile foundations. Semi-analytical frequency-domain solutions are applied to evaluate the dynamic impedance functions of the soil–pile system at a number...... of discrete frequencies. Based on a general and very stable fitting algorithm, a consistent lumped-parameter model of optimal order is calibrated to the impedance functions and implemented into the aeroelastic nonlinear multi-body code HAWC2 to facilitate the time domain analysis of a wind turbine under...... normal operating mode. The aeroelastic response is evaluated for three different foundation conditions, i.e. apparent fixity length, the consistent lumped-parameter model and fixed support at the seabed. The effect of soil–structure interaction is shown to be critical for the design, estimated in terms...

  20. 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

  1. Dynamical Franz-Keldysh Effect

    DEFF Research Database (Denmark)

    Jauho, Antti-Pekka; Johnsen, Kristinn

    1996-01-01

    We introduce and analyze the properties of dynamical Franz-Keldysh effect, i.e., the change of density of states, or absorption spectra, of semiconductors under the influence of time-dependent electric fields. In the case of a harmonic time dependence, we predict the occurrence of significant fin...... structure, both below and above the zero-field band gap, which should be experimentally observable.......We introduce and analyze the properties of dynamical Franz-Keldysh effect, i.e., the change of density of states, or absorption spectra, of semiconductors under the influence of time-dependent electric fields. In the case of a harmonic time dependence, we predict the occurrence of significant fine...

  2. 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.

  3. Modeling the Structure and Effectiveness of Intelligence Organizations: Dynamic Information Flow Simulation

    National Research Council Canada - National Science Library

    Behrman, Robert; Carley, Kathleen

    2003-01-01

    This paper describes the Dynamic Information Flow Simulation (DIFS), an abstract model for analyzing the structure and function of intelligence support organizations and the activities of entities within...

  4. 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.

  5. 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,…

  6. 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...

  7. 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

  8. 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

  9. 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.

  10. 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.

  11. 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.

  12. An effective fitting scheme for the dynamic structure of pure liquids

    International Nuclear Information System (INIS)

    Wax, J-F; Bryk, Taras

    2013-01-01

    A scheme of analysis for the dynamic structure functions in pure liquids is presented which can be implemented with both experimental and simulation data. Expressions for contributions of relaxing and propagating modes proposed earlier in the framework of the generalized collective modes approach are optimized in order to strictly fulfil three among the required sum-rules. The method is applied to simulation data for liquid cesium, the description of which appears to only require one relaxing and one propagating mode in the investigated wavevector range. These expressions are able to account for the dynamics in both the hydrodynamic and the kinetic regimes, being quantitatively accurate up to the onset of the first peak of the static structure factor and qualitatively beyond. Features of the modes can thus be obtained easily, without resorting to heavy formalism. The scheme of analysis can be straightforwardly extended to account for a higher number of relaxing and propagating modes. (paper)

  13. Considering dynamic friction and proper structural response in hydraulic load cases for realistic piping design

    International Nuclear Information System (INIS)

    Diesselhorst, T.; Diatschuk, P.; Schnellhammer, W.

    2005-01-01

    Concerning the design for hydraulic load cases there is always a sequence of fluid- and structural dynamic calculations, where the structural vibrations are induced by the time depending fluid forces. Therefore, in order to prevent excessive structural reactions, it is most important to avoid conservative fluid dynamic results. That refers to the maximum value of the pressure surge as well as to the damping of pressure oscillations. This is especially relevant in case of fluid-structure resonance. To meet these requirements the effect of dynamic wall friction was implemented in our fluid dynamic code. Thus, a more realistic damping behavior of the fluid forces was achieved. In the structural analysis code the damping of the pipe structure could be more accurate adapted to the real conditions. Additionally the local damping by viscous damper was included in the model. At supports now non-linear behavior like clearances can be simulated. The possibility of coupled calculation was installed to consider the effect of fluid structure interaction. The programmed effects are validated against measurement results from power plant systems. The favorable effects of the program improvements are demonstrated by typical examples. These included the realistic damping of pressure oscillations as well as a case of fluid-structure resonance. Additionally the effectiveness of the improved models of piping supports is demonstrated. (authors)

  14. 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...

  15. Applications of Asymptotic Sampling on High Dimensional Structural Dynamic Problems

    DEFF Research Database (Denmark)

    Sichani, Mahdi Teimouri; Nielsen, Søren R.K.; Bucher, Christian

    2011-01-01

    The paper represents application of the asymptotic sampling on various structural models subjected to random excitations. A detailed study on the effect of different distributions of the so-called support points is performed. This study shows that the distribution of the support points has consid...... dimensional reliability problems in structural dynamics.......The paper represents application of the asymptotic sampling on various structural models subjected to random excitations. A detailed study on the effect of different distributions of the so-called support points is performed. This study shows that the distribution of the support points has...... is minimized. Next, the method is applied on different cases of linear and nonlinear systems with a large number of random variables representing the dynamic excitation. The results show that asymptotic sampling is capable of providing good approximations of low failure probability events for very high...

  16. 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

  17. A mathematical analysis of the effects of Hebbian learning rules on the dynamics and structure of discrete-time random recurrent neural networks.

    Science.gov (United States)

    Siri, Benoît; Berry, Hugues; Cessac, Bruno; Delord, Bruno; Quoy, Mathias

    2008-12-01

    We present a mathematical analysis of the effects of Hebbian learning in random recurrent neural networks, with a generic Hebbian learning rule, including passive forgetting and different timescales, for neuronal activity and learning dynamics. Previous numerical work has reported that Hebbian learning drives the system from chaos to a steady state through a sequence of bifurcations. Here, we interpret these results mathematically and show that these effects, involving a complex coupling between neuronal dynamics and synaptic graph structure, can be analyzed using Jacobian matrices, which introduce both a structural and a dynamical point of view on neural network evolution. Furthermore, we show that sensitivity to a learned pattern is maximal when the largest Lyapunov exponent is close to 0. We discuss how neural networks may take advantage of this regime of high functional interest.

  18. 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...

  19. The effects of topology on the structural, dynamic and mechanical properties of network-forming materials

    International Nuclear Information System (INIS)

    Wilson, Mark

    2012-01-01

    The effects of network topology on the static structural, mechanical and dynamic properties of MX 2 network-forming liquids (with tetrahedral short-range order) are discussed. The network topology is controlled via a single model parameter (the anion polarizability) which effectively constrains the inter-tetrahedral linkages in a physically transparent manner. Critically, it is found to control the balance between the stability of corner- and edge-sharing tetrahedra. A potential rigidity transformation is investigated. The vibrational density of states is investigated, using an instantaneous normal model analysis, as a function of both anion polarizability and temperature. A low frequency peak is seen to appear and is shown to be correlated with the fraction of cations which are linked through solely edge-sharing structural motifs. A modified effective mean atom coordination number is proposed which allows the appearance of the low frequency feature to be understood in terms of a mean field rigidity percolation threshold. (paper)

  20. 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.

  1. Evaluation of seismic behavior of soils under nuclear containment structures via dynamic centrifuge test

    Energy Technology Data Exchange (ETDEWEB)

    Ha, Jeong Gon, E-mail: jgha87@kaist.ac.kr; Kim, Dong-Soo, E-mail: dskim@kaist.ac.kr

    2014-10-01

    Highlights: • A series of dynamic centrifuge tests were performed for NPP structure to investigate the soil–foundation-structure interaction with various soil conditions from loose sand to weathered rock. • SFSI phenomena for NPP structure were observed directly using experimental method. • Effect of the soil stiffness and nonlinear characteristics on SFSI was estimated. • There are comparisons of the control motions for seismic design of a NPP structure. • Subsoil condition, earthquake intensity and control motion affected to seismic load. - Abstract: To evaluate the earthquake loads for the seismic design of a nuclear containment structure, it is necessary to consider the soil–foundation-structure interaction (SFSI) due to their interdependent behavior. Especially, understanding the effects of soil stiffness under the structure and the location of control motion to SFSI are very important. Motivated by these requirements, a series of dynamic centrifuge tests were performed with various soil conditions from loose sand to weathered rock (WR), as well as different seismic intensities for the bedrock motion. The different amplification characteristics in peak-accelerations profile and effects of soil-nonlinearity in response spectrum were observed. The dynamic behaviors were compared between surface of free-field and foundation of the structure for the evaluation of the control motion for seismic design. It was found that dynamic centrifuge test has potentials to estimate the seismic load considering SFSI.

  2. Evaluation of seismic behavior of soils under nuclear containment structures via dynamic centrifuge test

    International Nuclear Information System (INIS)

    Ha, Jeong Gon; Kim, Dong-Soo

    2014-01-01

    Highlights: • A series of dynamic centrifuge tests were performed for NPP structure to investigate the soil–foundation-structure interaction with various soil conditions from loose sand to weathered rock. • SFSI phenomena for NPP structure were observed directly using experimental method. • Effect of the soil stiffness and nonlinear characteristics on SFSI was estimated. • There are comparisons of the control motions for seismic design of a NPP structure. • Subsoil condition, earthquake intensity and control motion affected to seismic load. - Abstract: To evaluate the earthquake loads for the seismic design of a nuclear containment structure, it is necessary to consider the soil–foundation-structure interaction (SFSI) due to their interdependent behavior. Especially, understanding the effects of soil stiffness under the structure and the location of control motion to SFSI are very important. Motivated by these requirements, a series of dynamic centrifuge tests were performed with various soil conditions from loose sand to weathered rock (WR), as well as different seismic intensities for the bedrock motion. The different amplification characteristics in peak-accelerations profile and effects of soil-nonlinearity in response spectrum were observed. The dynamic behaviors were compared between surface of free-field and foundation of the structure for the evaluation of the control motion for seismic design. It was found that dynamic centrifuge test has potentials to estimate the seismic load considering SFSI

  3. Natural Poisson structures of nonlinear plasma dynamics

    International Nuclear Information System (INIS)

    Kaufman, A.N.

    1982-01-01

    Hamiltonian field theories, for models of nonlinear plasma dynamics, require a Poisson bracket structure for functionals of the field variables. These are presented, applied, and derived for several sets of field variables: coherent waves, incoherent waves, particle distributions, and multifluid electrodynamics. Parametric coupling of waves and plasma yields concise expressions for ponderomotive effects (in kinetic and fluid models) and for induced scattering. (Auth.)

  4. Natural Poisson structures of nonlinear plasma dynamics

    International Nuclear Information System (INIS)

    Kaufman, A.N.

    1982-06-01

    Hamiltonian field theories, for models of nonlinear plasma dynamics, require a Poisson bracket structure for functionals of the field variables. These are presented, applied, and derived for several sets of field variables: coherent waves, incoherent waves, particle distributions, and multifluid electrodynamics. Parametric coupling of waves and plasma yields concise expressions for ponderomotive effects (in kinetic and fluid models) and for induced scattering

  5. 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

  6. 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.

  7. 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...

  8. Effect of the dynamic pressure on the shock wave structure in a rarefied polyatomic gas

    Energy Technology Data Exchange (ETDEWEB)

    Taniguchi, Shigeru, E-mail: taniguchi@stat.nitech.ac.jp; Sugiyama, Masaru, E-mail: sugiyama@nitech.ac.jp [Graduate School of Engineering, Nagoya Institute of Technology, Nagoya 466-8555 (Japan); Arima, Takashi, E-mail: tks@stat.nitech.ac.jp [Center for Social Contribution and Collaboration, Nagoya Institute of Technology, Nagoya 466-8555 (Japan); Ruggeri, Tommaso, E-mail: tommaso.ruggeri@unibo.it [Department of Mathematics and Research Center of Applied Mathematics (CIRAM), University of Bologna, Bologna (Italy)

    2014-01-15

    We study the shock wave structure in a rarefied polyatomic gas based on a simplified model of extended thermodynamics in which the dissipation is due only to the dynamic pressure. In this case the differential system is very simple because it is a variant of Euler system with a new scalar equation for the dynamic pressure [T. Arima, S. Taniguchi, T. Ruggeri, and M. Sugiyama, Phys. Lett. A 376, 2799–2803 (2012)]. It is shown that this theory is able to describe the three types of the shock wave structure observed in experiments: the nearly symmetric shock wave structure (Type A, small Mach number), the asymmetric structure (Type B, moderate Mach number), and the structure composed of thin and thick layers (Type C, large Mach number)

  9. 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

  10. 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.

  11. 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)

  12. Dynamic Effects of Biochar on the Bacterial Community Structure in Soil Contaminated with Polycyclic Aromatic Hydrocarbons.

    Science.gov (United States)

    Song, Yang; Bian, Yongrong; Wang, Fang; Xu, Min; Ni, Ni; Yang, Xinglun; Gu, Chenggang; Jiang, Xin

    2017-08-16

    Amending soil with biochar is an effective soil remediation strategy for organic contaminants. This study investigated the dynamic effects of wheat straw biochar on the bacterial community structure during remediation by high-throughput sequencing. The wheat straw biochar amended into the soil significantly reduced the bioavailability and toxicity of polycyclic aromatic hydrocarbons (PAHs). Biochar amendment helped to maintain the bacterial diversity in the PAH-contaminated soil. The relationship between the immobilization of PAHs and the soil bacterial diversity fit a quadratic model. Before week 12 of the incubation, the incubation time was the main factor contributing to the changes in the soil bacterial community structure. However, biochar greatly affected the bacterial community structure after 12 weeks of amendment, and the effects were dependent upon the biochar type. Amendment with biochar mainly facilitated the growth of rare bacterial genera (relative abundance of 0.01-1%) in the studied soil. Therefore, the application of wheat straw biochar into PAH-contaminated soil can reduce the environmental risks of PAHs and benefit the soil microbial ecology.

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

    International Nuclear Information System (INIS)

    Gandomzadeh, Ali

    2011-01-01

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

  14. Models test on dynamic structure-structure interaction of nuclear power plant buildings

    International Nuclear Information System (INIS)

    Kitada, Y.; Hirotani, T.

    1999-01-01

    A reactor building of an NPP (nuclear power plant) is generally constructed closely adjacent to a turbine building and other buildings such as the auxiliary building, and in increasing numbers of NPPs, multiple plants are being planned and constructed closely on a single site. In these situations, adjacent buildings are considered to influence each other through the soil during earthquakes and to exhibit dynamic behaviour different from that of separate buildings, because those buildings in NPP are generally heavy and massive. The dynamic interaction between buildings during earthquake through the soil is termed here as 'dynamic cross interaction (DCI)'. In order to comprehend DCI appropriately, forced vibration tests and earthquake observation are needed using closely constructed building models. Standing on this background, Nuclear Power Engineering Corporation (NUPEC) had planned the project to investigate the DCI effect in 1993 after the preceding SSI (soil-structure interaction) investigation project, 'model tests on embedment effect of reactor building'. The project consists of field and laboratory tests. The field test is being carried out using three different building construction conditions, e.g. a single reactor building to be used for the comparison purposes as for a reference, two same reactor buildings used to evaluate pure DCI effects, and two different buildings, reactor and turbine building models to evaluate DCI effects under the actual plant conditions. Forced vibration tests and earthquake observations are planned in the field test. The laboratory test is planned to evaluate basic characteristics of the DCI effects using simple soil model made of silicon rubber and structure models made of aluminum. In this test, forced vibration tests and shaking table tests are planned. The project was started in April 1994 and will be completed in March 2002. This paper describes an outline and the summary of the current status of this project. (orig.)

  15. The Response of Simple Polymer Structures Under Dynamic Loading

    Science.gov (United States)

    Proud, William; Ellison, Kay; Yapp, Su; Cole, Cloe; Galimberti, Stefano; Institute of Shock Physics Team

    2017-06-01

    The dynamic response of polymeric materials has been widely studied with the effects of degree of crystallinity, strain rate, temperature and sample size being commonly reported. This study uses a simple PMMA structure, a right cylindrical sample, with structural features such as holes. The features are added an varied in a systematic fashion. Samples were dynamically loaded using a Split Hopkinson Pressure Bar up to failure. The resulting stress-strain curves are presented showing the change in sample response. The strain to failure is shown to increase initially with the presence of holes, while failure stress is relatively unaffected. The fracture patterns seen in the failed samples change, with tensile cracks, Hertzian cones, shear effects being dominant for different holes sizes and geometries. The sample were prepared by laser cutting and checked for residual stress before experiment. The data is used to validate predictive model predictions where material, structure and damage are included.. The Institute of Shock Physics acknowledges the support of Imperial College London and the Atomic Weapons Establishment.

  16. 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...

  17. Dynamic analysis of a nuclear reactor with fluid-structure interaction

    International Nuclear Information System (INIS)

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

    2007-01-01

    The present paper is related to the dynamic (shock) analysis of a naval propulsion (on-board) reactor with fluid-structure interaction modelling. In a previous study, low frequency analysis has been performed; the present study deals with high frequency analysis, i.e. taking into account compressibility effects in the fluid medium. Elasto-acoustic coupling effects are studied and described in the industrial case. The coupled problem is formulated using the so-called (u, p, φ) formulation which yields symmetric matrices. A modal analysis is first performed on the fluid problem alone, then for the coupled fluid-structure problem in the following cases: (i) with incompressible fluid; (ii) with compressible fluid at standard pressure and temperature conditions; (iii) with compressible fluid at the operating pressure and temperature conditions. Elasto-coupling effects are then highlighted, in particular through the calculation of an elastic energy ratio. As a general conclusion, compressibility effects are proved significant in the dynamic response of the reactor in the high frequency range

  18. Dynamic Pricing in Cloud Manufacturing Systems under Combined Effects of Consumer Structure, Negotiation, and Demand

    Directory of Open Access Journals (Sweden)

    Wei Peng

    2017-01-01

    Full Text Available In this study, we proposed a game-theory based framework to model the dynamic pricing process in the cloud manufacturing (CMfg system. We considered a service provider (SP, a broker agent (BA, and a dynamic service demander (SD population that is composed of price takers and bargainers in this study. The pricing processes under linear demand and constant elasticity demand were modeled, respectively. The combined effects of SD population structure, negotiation, and demand forms on the SP’s and the BA’s equilibrium prices and expected revenues were examined. We found that the SP’s optimal wholesale price, the BA’s optimal reservation price, and posted price all increase with the proportion of price takers under linear demand but decrease with it under constant elasticity demand. We also found that the BA’s optimal reservation price increases with bargainers’ power no matter under what kind of demand. Through analyzing the participants’ revenues, we showed that a dynamic SD population with a high ratio of price takers would benefit the SP and the BA.

  19. The effect of STDP temporal kernel structure on the learning dynamics of single excitatory and inhibitory synapses.

    Directory of Open Access Journals (Sweden)

    Yotam Luz

    Full Text Available Spike-Timing Dependent Plasticity (STDP is characterized by a wide range of temporal kernels. However, much of the theoretical work has focused on a specific kernel - the "temporally asymmetric Hebbian" learning rules. Previous studies linked excitatory STDP to positive feedback that can account for the emergence of response selectivity. Inhibitory plasticity was associated with negative feedback that can balance the excitatory and inhibitory inputs. Here we study the possible computational role of the temporal structure of the STDP. We represent the STDP as a superposition of two processes: potentiation and depression. This allows us to model a wide range of experimentally observed STDP kernels, from Hebbian to anti-Hebbian, by varying a single parameter. We investigate STDP dynamics of a single excitatory or inhibitory synapse in purely feed-forward architecture. We derive a mean-field-Fokker-Planck dynamics for the synaptic weight and analyze the effect of STDP structure on the fixed points of the mean field dynamics. We find a phase transition along the Hebbian to anti-Hebbian parameter from a phase that is characterized by a unimodal distribution of the synaptic weight, in which the STDP dynamics is governed by negative feedback, to a phase with positive feedback characterized by a bimodal distribution. The critical point of this transition depends on general properties of the STDP dynamics and not on the fine details. Namely, the dynamics is affected by the pre-post correlations only via a single number that quantifies its overlap with the STDP kernel. We find that by manipulating the STDP temporal kernel, negative feedback can be induced in excitatory synapses and positive feedback in inhibitory. Moreover, there is an exact symmetry between inhibitory and excitatory plasticity, i.e., for every STDP rule of inhibitory synapse there exists an STDP rule for excitatory synapse, such that their dynamics is identical.

  20. 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)

  1. 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...

  2. Effects of parallel dynamics on vortex structures in electron temperature gradient driven turbulence

    International Nuclear Information System (INIS)

    Nakata, M.; Watanabe, T.-H.; Sugama, H.; Horton, W.

    2011-01-01

    Vortex structures and related heat transport properties in slab electron temperature gradient (ETG) driven turbulence are comprehensively investigated by means of nonlinear gyrokinetic Vlasov simulations, with the aim of elucidating the underlying physical mechanisms of the transition from turbulent to coherent states. Numerical results show three different types of vortex structures, i.e., coherent vortex streets accompanied with the transport reduction, turbulent vortices with steady transport, and a zonal-flow-dominated state, depending on the relative magnitude of the parallel compression to the diamagnetic drift. In particular, the formation of coherent vortex streets is correlated with the strong generation of zonal flows for the cases with weak parallel compression, even though the maximum growth rate of linear ETG modes is relatively large. The zonal flow generation in the ETG turbulence is investigated by the modulational instability analysis with a truncated fluid model, where the parallel dynamics such as acoustic modes for electrons is incorporated. The modulational instability for zonal flows is found to be stabilized by the effect of the finite parallel compression. The theoretical analysis qualitatively agrees with secondary growth of zonal flows found in the slab ETG turbulence simulations, where the transition of vortex structures is observed.

  3. 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....

  4. Anisotropic damage and dynamic behavior of reinforced concrete structures until failure

    International Nuclear Information System (INIS)

    Chambart, M.

    2009-09-01

    Dynamic loadings such as impact on reinforced concrete structures lead to degradations and structural failures significantly different to the ones observed for quasi-static loadings. Local effects (spalling, compaction...) and global mechanisms (bending, shear, perforation...) are experimentally observed. Wave propagation due to dynamics loadings can lead to failure in tension in a part of a structure or a component previously in compression. Induced damage anisotropy in concrete is partly responsible for the dissymmetry of behavior between tension and compression. Concrete anisotropy can be modelled by means of a second order damage tensor. In the damage model considered, damage growth is governed by the positive extensions. The model, written in the thermodynamics framework, is robust and is able to compute efficiently Reinforced Concrete (RC) structures. The initial anisotropic model is here extended to dynamics by introducing a viscosity law to govern dynamic damage evolution. The strain rate effect observed experimentally in tension (strength increases with strain rate) is reproduced. In compression no strain rate is introduced since inertial forces seem sufficient to reproduce the strength enhancement in dynamics. One also focuses on regularization issues. For high strain rates the solution is regularized since the characteristic time introduced indirectly defines an internal length and since the damage rate is bounded by a maximum damage rate parameter (visco/delay damage law). This visco/delay regularization is efficient at large strain rates, otherwise, the delay in damage evolution is too small to let damage grow in a wide enough zone. For quasi-static or low speed dynamic cases, the regularization is gained by means of classical non-local damage. For intermediary loading rates where both the strain rate effect and the non-local regularization are needed, a non-local delay-damage model is written (and used in 3D computations). The example of a dynamic

  5. The effect of progressive hypoxia on school structure and dynamics in Atlantic herring Clupea harengus

    DEFF Research Database (Denmark)

    Domenici, Paolo; Ferrari, R Silvana; Steffensen, John F

    2002-01-01

    The effect of progressive hypoxia on the structure and dynamics of herring (Clupea harengus) schools in laboratory conditions was investigated. The length, width and depth of schools of about 20 individuals were measured from video recordings to test the hypothesis that during hypoxia fish schools...... change their shape and volume. School shape (calculated as the ratios of length/depth, width/depth and length/width) did not change significantly during hypoxia. School length, width, depth, area and volume were all significantly increased at 20% oxygen saturation. Volume, area and width were more...... to overtaking or falling back by individual fishes. School integrity and positional dynamics are the outcome of trade-offs among a number of biotic factors, such as food, predator defence, mating behaviour and various physical factors that may impose certain limits. Among these, our results indicate that oxygen...

  6. 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.

  7. 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...

  8. 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.

  9. 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.

  10. Effects of non-structural components and soil-structure interaction on the seismic response of framed structures

    Science.gov (United States)

    Ditommaso, Rocco; Auletta, Gianluca; Iacovino, Chiara; Nigro, Antonella; Carlo Ponzo, Felice

    2017-04-01

    In this paper, several nonlinear numerical models of reinforced concrete framed structures have been defined in order to evaluate the effects of non-structural elements and soil-structure interaction on the elastic dynamic behaviour of buildings. In the last few years, many and various studies have highlighted the significant effects derived from the interaction between structural and non-structural components on the main dynamic characteristics of a building. Usually, structural and non-structural elements act together, adding both masses and stiffness. The presence of infill panels is generally neglected in the design process of structural elements, although these elements can significantly increase the lateral stiffness of a structure leading to a modification in the dynamic properties. Particularly, at the Damage Limit State (where an elastic behaviour is expected), soil-structure interaction effects and non-structural elements may further affect the elastic natural period of buildings, changing the spectral accelerations compared with those provided by seismic codes in case of static analyses. In this work, a parametric study has been performed in order to evaluate the elastic fundamental period of vibration of buildings as a function of structural morphology (height, plan area, ratio between plan dimensions), infills presence and distribution and soil characteristics. Acknowledgements This study was partially funded by the Italian Department of Civil Protection within the project DPC-RELUIS 2016 - RS4 ''Seismic observatory of structures and health monitoring'' and by the "Centre of Integrated Geomorphology for the Mediterranean Area - CGIAM" within the Framework Agreement with the University of Basilicata "Study, Research and Experimentation in the Field of Analysis and Monitoring of Seismic Vulnerability of Strategic and Relevant Buildings for the purposes of Civil Protection and Development of Innovative Strategies of Seismic Reinforcement".

  11. 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.

  12. Capital Structure, Environmental Dynamism, Innovation Strategy, and Strategic Risk Management

    DEFF Research Database (Denmark)

    Juul Andersen, Torben

    2005-01-01

    Previous research found that capital structure affects performance when it is adapted to the level of environmental dynamism and pursuit of an innovation strategy. The current study reproduces some of these relationships in a more recent dataset but also identifies significant nuances across...... industrial environments. Analyses of a large cross sectional sample and various industry sub-samples suggest that other factors have influenced capital structure effects in recent years including flexibilities in multinational organization and effective strategic risk management capabilities....

  13. 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.

  14. Meso-structures of dynamical chaos and E-infinity theory

    International Nuclear Information System (INIS)

    Mukhamedov, A.M.

    2009-01-01

    A novel proposal is made to develop a unified theory of dynamical chaos using an idea of extra-coordinates. It is supposed that chaos is capable to translate influences from quantum level of description to the classical macroscopic one and vise versa. The notion of macroscopically prepared microstates is proposed to determine a special case of extra-coordinates induced by cooperative effects at quantum resolution of dynamical events. Meso-structures mediating quantum and classical appearances of chaotic motion are studied in the light of E-infinity theory.

  15. 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.

  16. 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

  17. Structure of the X-ray photoelectron spectra of fluorides and oxides of lanthanides connected with the dynamic effect

    International Nuclear Information System (INIS)

    Teterin, Yu.A.; Teterin, A.Yu.; Lebedev, A.M.; Utkin, I.O.; Nikitin, A.S.

    1998-01-01

    Impact of dynamic effect on the fine structure of the X-ray electron spectra of the lanthanide oxides and fluorides is considered. Significant complication of the Ln4p-electrons occurs due to interaction of configurations of the basic single-hole and additional two-hole finite states of the 4p 5 4d 10 4f n ↔ 4p 6 4d 8 4f n+1 type. Impact of the atoms nature of the nearest surrounding of the lanthanides ions on the parameters of such fine structure is evaluated [ru

  18. 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

  19. 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.

  20. 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

  1. 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.

  2. Cardiolipin effects on membrane structure and dynamics.

    Science.gov (United States)

    Unsay, Joseph D; Cosentino, Katia; Subburaj, Yamunadevi; García-Sáez, Ana J

    2013-12-23

    Cardiolipin (CL) is a lipid with unique properties solely found in membranes generating electrochemical potential. It contains four acyl chains and tends to form nonlamellar structures, which are believed to play a key role in membrane structure and function. Indeed, CL alterations have been linked to disorders such as Barth syndrome and Parkinson's disease. However, the molecular effects of CL on membrane organization remain poorly understood. Here, we investigated the structure and physical properties of CL-containing membranes using confocal microscopy, fluorescence correlation spectroscopy, and atomic force microscopy. We found that the fluidity of the lipid bilayer increased and its mechanical stability decreased with CL concentration, indicating that CL decreases the packing of the membrane. Although the presence of up to 20% CL gave rise to flat, stable bilayers, the inclusion of 5% CL promoted the formation of flowerlike domains that grew with time. Surprisingly, we often observed two membrane-piercing events in atomic force spectroscopy experiments with CL-containing membranes. Similar behavior was observed with a lipid mixture mimicking the mitochondrial outer membrane composition. This suggests that CL promotes the formation of membrane areas with apposed double bilayers or nonlamellar structures, similar to those proposed for mitochondrial contact sites. All together, we show that CL induces membrane alterations that support the role of CL in facilitating bilayer structure remodeling, deformation, and permeabilization.

  3. 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.

  4. 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.

  5. Dynamic effects of diabatization in distillation columns

    DEFF Research Database (Denmark)

    Bisgaard, Thomas; Huusom, Jakob Kjøbsted; Abildskov, Jens

    2013-01-01

    The dynamic effects of diabatization in distillation columns are investigated in simulation emphasizing the heat-integrated distillation column (HIDiC). A generic, dynamic, first-principle model has been formulated, which is flexible enough to describe various diabatic distillation configurations....... Dynamic Relative Gain Array and Singular Value Analysis have been applied in a comparative study of a conventional distillation column and a HIDiC. The study showed increased input-output coupling due to diabatization. Feasible SISO control structures for the HIDiC were also found and control...

  6. 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...

  7. Effective mass and damping of submerged structures

    International Nuclear Information System (INIS)

    Dong, R.G.

    1978-01-01

    Various structures important for safety in nuclear power plants must remain functioning in the event of an earthquake or other dynamic phenomenon. Some of these important structures, such as spent-fuel storage racks, main pressure-relief valve lines, and internal structures in the reactor vessel, are submerged in water. Dynamic analysis must include the force and damping effects of water. This report provides a technical basis for evaluating the wide variety of modeling assumptions currently used in design analysis. Current design analysis techniques and information in the literature form the basis of our conclusions and recommendations. We surveyed 32 industrial firms and reviewed 49 technical references. We compare various theories with published experimental results wherever possible. Our findings generally pertain to idealized structures, such as single isolated members, arrays of members, and coaxial cylinders. We relate these findings to the actual reactor structures through observations and recommendations. Whenever possible we recommend a definite way to evaluate the effect of hydrodynamic forces on these structures

  8. Practical method of dynamic analysis considering coupling effects between equipment and piping systems

    International Nuclear Information System (INIS)

    Koyanagi, Ryoichi

    1984-01-01

    Many piping systems are supported by flexible structures or attached to thin shell walls so it is very important to consider the dynamic coupling effects between these systems in dynamic analysis. This paper presents a practical method of dynamic analysis of an individual system considering the dynamic coupling effects of coupled equipment-piping systems. In this method, dynamic responses are calculated by using the modal information which is obtained from the other analysis for associative structure. Analytical results for the complete model and of this method for an individual system are presented in the piping-supporting structure system and a piping-shell system. From the comparison of these results, it shows that this method is accurate, useful and economically applicable to the dynamic analysis of large model. (author)

  9. 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.

  10. 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.

  11. 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.

  12. Simulations of the structure and dynamics of nanoparticle-based ionic liquids

    KAUST Repository

    Hong, Bingbing

    2012-01-01

    We use molecular dynamics simulations over microsecond time scales to study the structure and dynamics of coarse-grained models for nanoparticle-based ionic liquids. The systems of interest consist of particles with charged surface groups and linear or three-arm counterions, which also act as the solvent. A comparable uncharged model of nanoparticles with tethered chains is also studied. The pair correlation functions display a rich structure resulting from the packing of cores and chains, as well as electrostatic effects. Even though electrostatic interactions between oppositely charged ions at contact are much greater than the thermal energy, we find that chain dynamics at intermediate time scales are dominated by chain hopping between core particles. The uncharged core particles with tethered chains diffuse faster than the ionic core particles. © 2012 The Royal Society of Chemistry.

  13. Dynamic effective connectivity of inter-areal brain circuits.

    Directory of Open Access Journals (Sweden)

    Demian Battaglia

    Full Text Available Anatomic connections between brain areas affect information flow between neuronal circuits and the synchronization of neuronal activity. However, such structural connectivity does not coincide with effective connectivity (or, more precisely, causal connectivity, related to the elusive question "Which areas cause the present activity of which others?". Effective connectivity is directed and depends flexibly on contexts and tasks. Here we show that dynamic effective connectivity can emerge from transitions in the collective organization of coherent neural activity. Integrating simulation and semi-analytic approaches, we study mesoscale network motifs of interacting cortical areas, modeled as large random networks of spiking neurons or as simple rate units. Through a causal analysis of time-series of model neural activity, we show that different dynamical states generated by a same structural connectivity motif correspond to distinct effective connectivity motifs. Such effective motifs can display a dominant directionality, due to spontaneous symmetry breaking and effective entrainment between local brain rhythms, although all connections in the considered structural motifs are reciprocal. We show then that transitions between effective connectivity configurations (like, for instance, reversal in the direction of inter-areal interactions can be triggered reliably by brief perturbation inputs, properly timed with respect to an ongoing local oscillation, without the need for plastic synaptic changes. Finally, we analyze how the information encoded in spiking patterns of a local neuronal population is propagated across a fixed structural connectivity motif, demonstrating that changes in the active effective connectivity regulate both the efficiency and the directionality of information transfer. Previous studies stressed the role played by coherent oscillations in establishing efficient communication between distant areas. Going beyond these early

  14. 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

  15. Structure, Dynamics, and Phase Behavior of DOPC/DSPC Mixture Membrane Systems: Molecular Dynamics Simulation Studies

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Seonghan; Chang, Rakwoo [Kwangwoon University, Seoul (Korea, Republic of)

    2016-07-15

    Full atomistic molecular dynamics simulations have been performed for model mixture bilayer membrane systems consisting of 1,2-dioleoyl-sn-glycero-3-phosphocholine (DOPC) and 1,2-distearoyl-sn-glycero-3-phosphocholine (DSPC) phospholipids to understand the effects of two essential parameters such as lipid composition and temperature on the structural, dynamical, and phase behavior of mixture membrane systems. Although pure DSPC membranes are in the gel-like (L{sub β}' or P{sub β}') phase at 323 K, raising the temperature by only 10 K or replacing 20% of DSPC lipids by DOPC lipids can change the gel-like phase into the completely liquid-crystalline phase (L{sub α}). This phase change is accompanied by dramatic change in both structural properties such as area per lipid, membrane thickness, deuterium order parameter, and tail angle distribution, and dynamics properties such as mobility map. We also observe that the full width at half-maximum (FWHM) data of tail angle distribution as well as area per lipid (or membrane thickness)can be used as order parameters for the membrane phase transition.

  16. Structure, Dynamics, and Phase Behavior of DOPC/DSPC Mixture Membrane Systems: Molecular Dynamics Simulation Studies

    International Nuclear Information System (INIS)

    Kim, Seonghan; Chang, Rakwoo

    2016-01-01

    Full atomistic molecular dynamics simulations have been performed for model mixture bilayer membrane systems consisting of 1,2-dioleoyl-sn-glycero-3-phosphocholine (DOPC) and 1,2-distearoyl-sn-glycero-3-phosphocholine (DSPC) phospholipids to understand the effects of two essential parameters such as lipid composition and temperature on the structural, dynamical, and phase behavior of mixture membrane systems. Although pure DSPC membranes are in the gel-like (L_β' or P_β') phase at 323 K, raising the temperature by only 10 K or replacing 20% of DSPC lipids by DOPC lipids can change the gel-like phase into the completely liquid-crystalline phase (L_α). This phase change is accompanied by dramatic change in both structural properties such as area per lipid, membrane thickness, deuterium order parameter, and tail angle distribution, and dynamics properties such as mobility map. We also observe that the full width at half-maximum (FWHM) data of tail angle distribution as well as area per lipid (or membrane thickness)can be used as order parameters for the membrane phase transition.

  17. Chemical Structure and Dynamics annual report 1997

    International Nuclear Information System (INIS)

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

    1998-03-01

    The Chemical Structure and Dynamics (CS and 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. The authors 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 complex materials of the types found in stored wastes and contaminated soils, and for detecting and monitoring trace atmospheric species. The focus of the research is defined primarily by DOE's environmental problems: fate and transport of contaminants in the subsurface environment, processing and storage of waste materials, cellular effects of chemical and radiological insult, and atmospheric chemistry as it relates to air quality and global change. Twenty-seven projects are described under the following topical sections: Reaction mechanisms at interfaces; High-energy processes at environmental interfaces; Cluster models of the condensed phase; and Miscellaneous

  18. Chemical Structure and Dynamics annual report 1997

    Energy Technology Data Exchange (ETDEWEB)

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

    1998-03-01

    The Chemical Structure and Dynamics (CS and 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. The authors 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 complex materials of the types found in stored wastes and contaminated soils, and for detecting and monitoring trace atmospheric species. The focus of the research is defined primarily by DOE`s environmental problems: fate and transport of contaminants in the subsurface environment, processing and storage of waste materials, cellular effects of chemical and radiological insult, and atmospheric chemistry as it relates to air quality and global change. Twenty-seven projects are described under the following topical sections: Reaction mechanisms at interfaces; High-energy processes at environmental interfaces; Cluster models of the condensed phase; and Miscellaneous.

  19. 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)

  20. 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.

  1. Two stage approach to dynamic soil structure interaction

    International Nuclear Information System (INIS)

    Nelson, I.

    1981-01-01

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

  2. 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....

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

    Science.gov (United States)

    Neuwirth, C; Peck, A; Simonović, S P

    2015-03-01

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

  4. On the relationship between the dynamic behavior and nanoscale staggered structure of the bone

    Science.gov (United States)

    Qwamizadeh, Mahan; Zhang, Zuoqi; Zhou, Kun; Zhang, Yong Wei

    2015-05-01

    Bone, a typical load-bearing biological material, composed of ordinary base materials such as organic protein and inorganic mineral arranged in a hierarchical architecture, exhibits extraordinary mechanical properties. Up to now, most of previous studies focused on its mechanical properties under static loading. However, failure of the bone occurs often under dynamic loading. An interesting question is: Are the structural sizes and layouts of the bone related or even adapted to the functionalities demanded by its dynamic performance? In the present work, systematic finite element analysis was performed on the dynamic response of nanoscale bone structures under dynamic loading. It was found that for a fixed mineral volume fraction and unit cell area, there exists a nanoscale staggered structure at some specific feature size and layout which exhibits the fastest attenuation of stress waves. Remarkably, these specific feature sizes and layouts are in excellent agreement with those experimentally observed in the bone at the same scale, indicating that the structural size and layout of the bone at the nanoscale are evolutionarily adapted to its dynamic behavior. The present work points out the importance of dynamic effect on the biological evolution of load-bearing biological materials.

  5. 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.

  6. 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.

  7. 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.

  8. Effect of acetone accumulation on structure and dynamics of lipid membranes studied by molecular dynamics simulations.

    Science.gov (United States)

    Posokhov, Yevgen O; Kyrychenko, Alexander

    2013-10-01

    The modulation of the properties and function of cell membranes by small volatile substances is important for many biomedical applications. Despite available experimental results, molecular mechanisms of action of inhalants and organic solvents, such as acetone, on lipid membranes remain not well understood. To gain a better understanding of how acetone interacts with membranes, we have performed a series of molecular dynamics (MD) simulations of a POPC bilayer in aqueous solution in the presence of acetone, whose concentration was varied from 2.8 to 11.2 mol%. The MD simulations of passive distribution of acetone between a bulk water phase and a lipid bilayer show that acetone favors partitioning into the water-free region of the bilayer, located near the carbonyl groups of the phospholipids and at the beginning of the hydrocarbon core of the lipid membrane. Using MD umbrella sampling, we found that the permeability barrier of ~0.5 kcal/mol exists for acetone partitioning into the membrane. In addition, a Gibbs free energy profile of the acetone penetration across a bilayer demonstrates a favorable potential energy well of -3.6 kcal/mol, located at 15-16Å from the bilayer center. The analysis of the structural and dynamics properties of the model membrane revealed that the POPC bilayer can tolerate the presence of acetone in the concentration range of 2.8-5.6 mol%. The accumulation of the higher acetone concentration of 11.2 mol% results, however, in drastic disordering of phospholipid packing and the increase in the membrane fluidity. The acetone molecules push the lipid heads apart and, hence, act as spacers in the headgroup region. This effect leads to the increase in the average headgroup area per molecule. In addition, the acyl tail region of the membrane also becomes less dense. We suggest, therefore, that the molecular mechanism of acetone action on the phospholipid bilayer has many common features with the effects of short chain alcohols, DMSO, and

  9. CFA Films in Amorphous Substrate: Structural Phase Induction and Magnetization Dynamics

    Science.gov (United States)

    Correa, M. A.; Bohn, F.; Escobar, V. M.

    We report a systematic study of the structural and quasi-static magnetic properties, as well as of the dynamic magnetic response through MI effect, in Co2FeAl and MgO//Co2FeAl single layers and a MgO//Co2FeAl/Ag/Co2FeAl trilayered film, all grown onto an amorphous substrate. We present a new route to induce the crystalline structure in the Co2FeAl alloy and verify that changes in the structural phase of this material leads to remarkable modifications of the magnetic anisotropy and, consequently, dynamic magnetic behavior. Considering the electrical and magnetic properties of the Co2FeAl, our results open new possibilities for technological applications of this full-Heusler alloy in rigid and flexible spintronic devices.

  10. Optimization of rotor blades for combined structural, dynamic, and aerodynamic properties

    Science.gov (United States)

    He, Cheng-Jian; Peters, David A.

    1990-01-01

    Optimal helicopter blade design with computer-based mathematical programming has received more and more attention in recent years. Most of the research has focused on optimum dynamic characteristics of rotor blades to reduce vehicle vibration. There is also work on optimization of aerodynamic performance and on composite structural design. This research has greatly increased our understanding of helicopter optimum design in each of these aspects. Helicopter design is an inherently multidisciplinary process involving strong interactions among various disciplines which can appropriately include aerodynamics; dynamics, both flight dynamics and structural dynamics; aeroelasticity: vibrations and stability; and even acoustics. Therefore, the helicopter design process must satisfy manifold requirements related to the aforementioned diverse disciplines. In our present work, we attempt to combine several of these important effects in a unified manner. First, we design a blade with optimum aerodynamic performance by proper layout of blade planform and spanwise twist. Second, the blade is designed to have natural frequencies that are placed away from integer multiples of the rotor speed for a good dynamic characteristics. Third, the structure is made as light as possible with sufficient rotational inertia to allow for autorotational landing, with safe stress margins and flight fatigue life at each cross-section, and with aeroelastical stability and low vibrations. Finally, a unified optimization refines the solution.

  11. 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.

  12. 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

  13. 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.

  14. 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.

  15. 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...

  16. Structural and functional analysis of glycoprotein butyrylcholinesterase using atomistic molecular dynamics

    Science.gov (United States)

    Bernardi, Austen; Faller, Roland

    Atomistic molecular dynamics (MD) has proven to be a powerful tool for studying the structure and dynamics of biological systems on nanosecond to microsecond time scales and nanometer length scales. In this work we study the effects of modifying the glycan distribution on the structure and function of full length monomeric butyrylcholinesterase (BChE). BChE exists as a monomer, dimer, or tetramer, and is a therapeutic glycoprotein with nine asparagine glycosylation sites per monomer. Each monomer acts as a stoichiometric scavenger for organophosphorus (OP) nerve agents (e.g. sarin, soman). Glycan distributions are highly heterogeneous and have been shown experimentally to affect certain glycoproteins' stability and reactivity. We performed structural analysis of various biologically relevant glycoforms of BChE using classical atomistic MD. Functional analysis was performed through binding energy simulations using umbrella sampling with BChE and OP cofactors. Additionally, we assess the quality of the glycans' conformational sampling. We found that the glycan distribution has a significant effect on the structure and function of BChE on timescales available to atomistic MD. This project is funded by the DTRA Grant HDTRA1-15-1-0054.

  17. 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.

  18. Structure and dynamics of soft repulsive colloidal suspensions in the vicinity of the glass transition.

    Science.gov (United States)

    Crassous, Jérôme J; Casal-Dujat, Lucia; Medebach, Martin; Obiols-Rabasa, Marc; Vincent, Romaric; Reinhold, Frank; Boyko, Volodymyr; Willerich, Immanuel; Menzel, Andreas; Moitzi, Christian; Reck, Bernd; Schurtenberger, Peter

    2013-08-20

    We use a combination of different scattering techniques and rheology to highlight the link between structure and dynamics of dense aqueous suspensions of soft repulsive colloids in the vicinity of a glass transition. Three different latex formulations with an increasing amount of the hydrophilic component resulting in either purely electrostatically or electrosterically stabilized suspensions are investigated. From the analysis of the static structure factor measured by small-angle X-ray scattering, we derive an effective volume fraction that includes contributions from interparticle interactions. We further investigate the dynamics of the suspensions using 3D cross-correlation dynamic light scattering (3DDLS) and rheology. We analyze the data using an effective hard sphere model and in particular compare the linear viscoelasticity and flow behavior to the predictions of mode coupling theory, which accounts for a purely kinetic glass transition determined by the equilibrium structure factor. We demonstrate that seemingly very different colloidal systems exhibit the same generic behavior when the effects from interparticle interactions are incorporated using an effective volume fraction description.

  19. 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

  20. Evaluation of the dynamic responses of high rise buildings with respect to the direct methods for soil-foundation-structure interaction effects and comparison with the approximate methods

    Directory of Open Access Journals (Sweden)

    Jahangir Khazaei

    2017-08-01

    Full Text Available In dynamic analysis, modeling of soil medium is ignored because of the infinity and complexity of the soil behavior and so the important effects of these terms are neglected, while the behavior of the soil under the structure plays an important role in the response of the structure during an earthquake. In fact, the soil layers and soil foundation structure interaction phenomena can increase the applied seismic forces during earthquakes that has been examined with different methods. In this paper, effects of soil foundation structure interaction on a steel high rise building has been modeled using Abaqus software for nonlinear dynamic analysis with finite element direct method and simulation of infinite boundary condition for soil medium and also approximate Cone model. In the direct method, soil, structure and foundation are modeled altogether. In other hand, for using Cone model as a simple model, dynamic stiffness coefficients have been employed to simulate soil with considering springs and dashpots in all degree of freedom. The results show that considering soil foundation structure interaction cause increase in maximum lateral displacement of structure and the friction coefficient of soil-foundation interface can alter the responses of structure. It was also observed that the results of the approximate methods have good agreement for engineering demands.

  1. 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

  2. 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.

  3. Uncovering the community structure associated with the diffusion dynamics on networks

    International Nuclear Information System (INIS)

    Cheng, Xue-Qi; Shen, Hua-Wei

    2010-01-01

    As two main focuses of the study of complex networks, the community structure and the dynamics on networks have both attracted much attention in various scientific fields. However, it is still an open question how the community structure is associated with the dynamics on complex networks. In this paper, through investigating the diffusion process taking place on networks, we demonstrate that the intrinsic community structure of networks can be revealed by the stable local equilibrium states of the diffusion process. Furthermore, we show that such community structure can be directly identified through the optimization of the conductance of the network, which measures how easily the diffusion among different communities occurs. Tests on benchmark networks indicate that the conductance optimization method significantly outperforms the modularity optimization methods in identifying the community structure of networks. Applications to real world networks also demonstrate the effectiveness of the conductance optimization method. This work provides insights into the multiple topological scales of complex networks, and the community structure obtained can naturally reflect the diffusion capability of the underlying network

  4. 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).

  5. 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)

  6. Polyacrylic acids–bovine serum albumin complexation: Structure and dynamics

    International Nuclear Information System (INIS)

    Othman, Mohamed; Aschi, Adel; Gharbi, Abdelhafidh

    2016-01-01

    The study of the mixture of BSA with polyacrylic acids at different masses versus pH allowed highlighting the existence of two regimes of weak and strong complexation. These complexes were studied in diluted regime concentration, by turbidimetry, dynamic light scattering (DLS), zeta-potential measurements and nuclear magnetic resonance (NMR). We have followed the pH effect on the structure and properties of the complex. This allowed refining the interpretation of the phase diagram and understanding the observed phenomena. The NMR measurements allowed probing the dynamics of the constituents versus the pH. The computational method was used to precisely determine the electrostatic potential of BSA and how the polyelectrolyte binds to it at different pH. - Highlights: • Influence of physico-chemical parameters on the electrostatic interactions in the complex system (polyelectrolyte/protein). • Stabilization and encapsulation of biological macromolecules solution by mean of polyelectrolyte. • Properties and structure of mixture obtained by screening the charges of globular protein and at different masses of polyacrylic acids. • Dynamic of the constituents formed by complexes particles. • Evaluation of the electrostatic properties of bovine serum albumin versus pH through solution of the Poisson-Boltzmann equation.

  7. Application of fluid-structure coupling to predict the dynamic behavior of turbine components

    Energy Technology Data Exchange (ETDEWEB)

    Huebner, B; Seidel, U [Voith Hydro Holding GmbH and Co. KG, Alexanderstr. 11, 89522 Heidenheim (Germany); Roth, S, E-mail: bjoern.huebner@voith.co [Laboratory for Hydraulic Machines, EPFL, Avenue de Cour 33 Bis, 1007 Lausanne (Switzerland)

    2010-08-15

    In hydro turbine design, fluid-structure interaction (FSI) may play an important role. Examples are flow induced inertia and damping effects, vortex induced vibrations in the lock-in vicinity, or hydroelastic instabilities of flows in deforming gaps (e.g. labyrinth seals). In contrast to aeroelasticity, hydroelastic systems require strongly (iteratively) coupled or even monolithic solution procedures, since the fluid mass which is moving with the structure (added-mass effect) is much higher and changes the dynamic behavior of submerged structures considerably. Depending on the mode shape, natural frequencies of a turbine runner in water may be reduced to less than 50% of the corresponding frequencies in air, and flow induced damping effects may become one or two orders of magnitude higher than structural damping. In order to reduce modeling effort and calculation time, the solution strategy has to be adapted precisely to a given application. Hence, depending on the problem to solve, different approximations may apply. Examples are the calculation of natural frequencies and response spectra in water using an acoustic fluid formulation, the determination of flow induced damping effects by means of partitioned FSI including complex turbulent flows, and the identification of hydroelastic instabilities using monolithic coupling of non-linear structural dynamics and water flow.

  8. An impedance function approach for soil-structure interaction analyses including structure-to-structure interaction effects

    International Nuclear Information System (INIS)

    Gantayat, A.; Kamil, H.

    1981-01-01

    The dynamic soil-structure and structure-to-structure interaction effects may be determined in one of the two ways: by modeling the entire soil-structure system by a finite-element model, or by using a frequency-dependent (or frequency-independent) impedance function approach. In seismic design of nuclear power plant structures, the normal practice is to use the first approach because of its simplicity and easy availability of computer codes to perform such analyses. However, in the finite-element approach, because of the size and cost restrictions, the three-dimensional behavior of the entire soil-structure system and the radiation damping in soil are only approximately included by using a two-dimensional finite-element mesh. In using the impedance function approach, the soil-structure analyses can be performed in four steps: (a) determination of the dynamic properties of the fixed base superstructure, (b) determination of foundation and structure impedance matrices and input motions, (c) evaluation of foundation motion, (d) analysis of the fixed base superstructure using computed foundation motion. (orig./RW)

  9. 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.

  10. Structural dynamics of surfaces by ultrafast electron crystallography: experimental and multiple scattering theory.

    Science.gov (United States)

    Schäfer, Sascha; Liang, Wenxi; Zewail, Ahmed H

    2011-12-07

    Recent studies in ultrafast electron crystallography (UEC) using a reflection diffraction geometry have enabled the investigation of a wide range of phenomena on the femtosecond and picosecond time scales. In all these studies, the analysis of the diffraction patterns and their temporal change after excitation was performed within the kinematical scattering theory. In this contribution, we address the question, to what extent dynamical scattering effects have to be included in order to obtain quantitative information about structural dynamics. We discuss different scattering regimes and provide diffraction maps that describe all essential features of scatterings and observables. The effects are quantified by dynamical scattering simulations and examined by direct comparison to the results of ultrafast electron diffraction experiments on an in situ prepared Ni(100) surface, for which structural dynamics can be well described by a two-temperature model. We also report calculations for graphite surfaces. The theoretical framework provided here allows for further UEC studies of surfaces especially at larger penetration depths and for those of heavy-atom materials. © 2011 American Institute of Physics

  11. 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

  12. Preferential binding effects on protein structure and dynamics revealed by coarse-grained Monte Carlo simulation

    Science.gov (United States)

    Pandey, R. B.; Jacobs, D. J.; Farmer, B. L.

    2017-05-01

    The effect of preferential binding of solute molecules within an aqueous solution on the structure and dynamics of the histone H3.1 protein is examined by a coarse-grained Monte Carlo simulation. The knowledge-based residue-residue and hydropathy-index-based residue-solvent interactions are used as input to analyze a number of local and global physical quantities as a function of the residue-solvent interaction strength (f). Results from simulations that treat the aqueous solution as a homogeneous effective solvent medium are compared to when positional fluctuations of the solute molecules are explicitly considered. While the radius of gyration (Rg) of the protein exhibits a non-monotonic dependence on solvent interaction over a wide range of f within an effective medium, an abrupt collapse in Rg occurs in a narrow range of f when solute molecules rapidly bind to a preferential set of sites on the protein. The structure factor S(q) of the protein with wave vector (q) becomes oscillatory in the collapsed state, which reflects segmental correlations caused by spatial fluctuations in solute-protein binding. Spatial fluctuations in solute binding also modify the effective dimension (D) of the protein in fibrous (D ˜ 1.3), random-coil (D ˜ 1.75), and globular (D ˜ 3) conformational ensembles as the interaction strength increases, which differ from an effective medium with respect to the magnitude of D and the length scale.

  13. Dynamical Structure of a Traditional Amazonian Social Network

    Directory of Open Access Journals (Sweden)

    Paul L. Hooper

    2013-11-01

    Full Text Available Reciprocity is a vital feature of social networks, but relatively little is known about its temporal structure or the mechanisms underlying its persistence in real world behavior. In pursuit of these two questions, we study the stationary and dynamical signals of reciprocity in a network of manioc beer (Spanish: chicha; Tsimane’: shocdye’ drinking events in a Tsimane’ village in lowland Bolivia. At the stationary level, our analysis reveals that social exchange within the community is heterogeneously patterned according to kinship and spatial proximity. A positive relationship between the frequencies at which two families host each other, controlling for kinship and proximity, provides evidence for stationary reciprocity. Our analysis of the dynamical structure of this network presents a novel method for the study of conditional, or non-stationary, reciprocity effects. We find evidence that short-timescale reciprocity (within three days is present among non- and distant-kin pairs; conversely, we find that levels of cooperation among close kin can be accounted for on the stationary hypothesis alone.

  14. 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

  15. 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.

  16. Effects of N-glycosylation on protein conformation and dynamics: Protein Data Bank analysis and molecular dynamics simulation study.

    Science.gov (United States)

    Lee, Hui Sun; Qi, Yifei; Im, Wonpil

    2015-03-09

    N-linked glycosylation is one of the most important, chemically complex, and ubiquitous post-translational modifications in all eukaryotes. The N-glycans that are covalently linked to proteins are involved in numerous biological processes. There is considerable interest in developments of general approaches to predict the structural consequences of site-specific glycosylation and to understand how these effects can be exploited in protein design with advantageous properties. In this study, the impacts of N-glycans on protein structure and dynamics are systematically investigated using an integrated computational approach of the Protein Data Bank structure analysis and atomistic molecular dynamics simulations of glycosylated and deglycosylated proteins. Our study reveals that N-glycosylation does not induce significant changes in protein structure, but decreases protein dynamics, likely leading to an increase in protein stability. Overall, these results suggest not only a common role of glycosylation in proteins, but also a need for certain proteins to be properly glycosylated to gain their intrinsic dynamic properties.

  17. Structural Dynamic Analysis of Semi-Submersible Floating Vertical Axis Wind Turbines

    Directory of Open Access Journals (Sweden)

    Jeremiah Ishie

    2016-12-01

    Full Text Available The strong and stable wind at offshore locations and the increasing demand for energy have made the application of wind turbines in deeper water surge. A novel concept of a 5 MW baseline Floating Vertical Axis Wind Turbine (FVAWT and a 5 MW optimised FVAWT with the DeepWind Darrieus rotor and the optimised DeepWind Darrieus rotor, respectively, were studied extensively. The structural responses, fatigue damages, platform global motions and mooring line dynamics of the FVAWTs were investigated comprehensively during normal operating conditions under steady wind and turbulent wind conditions, using a coupled non-linear aero-hydro-servo-elastic code (the Simo-Riflex-DMS code which was developed by Wang et al. for modeling FVAWTs. This coupled code incorporates the models for the turbulent wind field, aerodynamics, hydrodynamics, structural dynamics, and generator controller. The simulation is performed in a fully coupled manner in time domain. The comparison of responses under different wind conditions were used to demonstrate the effect of turbulence on both FVAWTs dynamic responses. The turbulent wind condition has the advantage of reducing the 2P effects. Furthermore, comparative studies of the FVAWTs responses were undertaken to explore the advantages of adopting the optimised 5 MW DeepWind Darrieus rotor over the baseline model. The results identified the 5 MW optimised FVAWT to having: lower Fore-Aft (FA but higher lower Side-Side (SS bending moments of structural components; lower motions amplitude; lower short-term fatigue equivalent loads and a further reduced 2P effects.

  18. Age structure and cooperation in coevolutionary games on dynamic network

    Science.gov (United States)

    Qin, Zilong; Hu, Zhenhua; Zhou, Xiaoping; Yi, Jingzhang

    2015-04-01

    Our proposed model imitates the growth of a population and describes the age structure and the level of cooperation in games on dynamic network with continuous changes of structure and topology. The removal of nodes and links caused by age-dependent attack, together with the nodes addition standing for the newborns of population, badly ruins Matthew effect in this coevolutionary process. Though the network is generated by growth and preferential attachment, it degenerates into random network and it is no longer heterogeneous. When the removal of nodes and links is equal to the addition of nodes and links, the size of dynamic network is maintained in steady-state, so is the low level of cooperation. Severe structure variation, homogeneous topology and continuous invasion of new defection jointly make dynamic network unsuitable for the survival of cooperator even when the probability with which the newborn players initially adopt the strategy cooperation is high, while things change slightly when the connections of newborn players are restricted. Fortunately, moderate interactions in a generation trigger an optimal recovering process to encourage cooperation. The model developed in this paper outlines an explanation of the cohesion changes in the development process of an organization. Some suggestions for cooperative behavior improvement are given in the end.

  19. 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

  20. 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.

  1. Effect of Piers Shape on the Dynamic Structural Responses of Prestressed Concrete Bridge: Part II

    Directory of Open Access Journals (Sweden)

    Ali Fadhil Naser

    2016-03-01

    Full Text Available Pier of bridge is usually used as a general term for any type of substructure located between horizontal spans and foundations. Piers give vertical supports for spans at intermediate points and perform two main functions. The objective of this study is to inspect the effect of piers shape on the dynamic structural performance by adopting theoretical dynamic analysis. The results of dynamic analysis of 25 bridges models show that the maximum value of natural frequency is equal to 5.64Hz in two circles piers bridge model. Therefore, this type of model has good stiffness and bearing capacity. The two square piers model, the one circle pier model, and the two circles piers model appear good stiffness because of the natural frequencies (5.30Hz, 5.52Hz, and 5.64Hz are more than the maximum forced frequencies (4.52Hz, 5.45Hz, and 4.52Hz respectively. According to the comparison between all models results, the two circles piers model has the higher stiffness because of this model has the maximum value of natural frequency (5.64Hz and it is more than all forced vibration frequencies of all others models. Therefore, this study recommends that using the bridge model of two circles piers in the bridges construction that consists of three spans (30m+40m+30m with section of box girder.

  2. Effect of Piers Shape on the Dynamic Structural Responses of Prestressed Concrete Bridge: Part II

    Directory of Open Access Journals (Sweden)

    Ali Fadhil Naser

    2016-12-01

    Full Text Available Pier of bridge is usually used as a general term for any type of substructure located between horizontal spans and foundations. Piers give vertical supports for spans at intermediate points and perform two main functions. The objective of this study is to inspect the effect of piers shape on the dynamic structural performance by adopting theoretical dynamic analysis. The results of dynamic analysis of 25 bridges models show that the maximum value of natural frequency is equal to 5.64Hz in two circles piers bridge model. Therefore, this type of model has good stiffness and bearing capacity. The two square piers model, the one circle pier model, and the two circles piers model appear good stiffness because of the natural frequencies (5.30Hz, 5.52Hz, and 5.64Hz are more than the maximum forced frequencies (4.52Hz, 5.45Hz, and 4.52Hz respectively. According to the comparison between all models results, the two circles piers model has the higher stiffness because of this model has the maximum value of natural frequency (5.64Hz and it is more than all forced vibration frequencies of all others models. Therefore, this study recommends that using the bridge model of two circles piers in the bridges construction that consists of three spans (30m+40m+30m with section of box girder.

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

    DEFF Research Database (Denmark)

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

    2012-01-01

    This paper investigates the along-wind forced vibration response of an onshore wind turbine. The study includes the dynamic interaction effects between the foundation and the underlying soil, as softer soils can influence the dynamic response of wind turbines. A Multi-Degree-of-Freedom (MDOF......) horizontal axes onshore wind turbine model is developed for dynamic analysis using an Euler–Lagrangian approach. The model is comprised of a rotor blade system, a nacelle and a flexible tower connected to a foundation system using a substructuring approach. The rotor blade system consists of three rotating...... for displacement of the turbine system are obtained and the modal frequencies of the combined turbine-foundation system are estimated. Simulations are presented for the MDOF turbine structure subjected to wind loading for different soil stiffness conditions. Steady state and turbulent wind loading, developed using...

  4. A framework of DYNAMIC data structures for string processing

    DEFF Research Database (Denmark)

    Prezza, Nicola

    2017-01-01

    implemented using DYNAMIC with those of stateof-the-art tools performing the same task. Our experiments show that algorithms making use of dynamic compressed data structures can be up to three orders of magnitude more space-efficient (albeit slower) than classical ones performing the same tasks.......In this paper we present DYNAMIC, an open-source C++ library implementing dynamic compressed data structures for string manipulation. Our framework includes useful tools such as searchable partial sums, succinct/gap-encoded bitvectors, and entropy/run-length compressed strings and FM indexes. We...... prove close-to-optimal theoretical bounds for the resources used by our structures, and show that our theoretical predictions are empirically tightly verified in practice. To conclude, we turn our attention to applications. We compare the performance of five recently-published compression algorithms...

  5. 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.

  6. Effects of temperature and void on the dynamics and microstructure of structural transition in single crystal iron

    Science.gov (United States)

    Shao, Jian-Li; Wang, Pei; Zhang, Feng-Guo; He, An-Min

    2018-06-01

    With classic molecular dynamics simulations, we investigate the effects of temperature and void on the bcc to hcp/fcc structural transition in single crystal iron driven by 1D ([0 0 1]) and 3D (uniform) compressions. The results show that the pressure threshold does not reduce monotonously with temperature. The pressure threshold firstly increases and then decreases in the range of 60–360 K under 1D compression, while the variation trend is just opposite under 3D compression. As expected, the initial defect may lower the pressure threshold via heterogenous nucleation. This effect is found to be more distinct at lower temperature, and the heterogenous nucleation mainly results in hcp structure. Under the condition of strain constraint, the products of structural transition will respectively form flaky hcp twin structure ((1 0 0) or (0 1 0)) and lamellar structure ({1 1 0}) of mixed phases under 1D and 3D compressions. During the structural transition, we find the shear stress (1D compression) of hcp phase is always lower than that of bcc phase. The cold energy calculations indicate that the hcp phase is the most stable under high pressure. However, we observe the evident metastable state of bcc phase, whose energy will be much higher than both hcp and fcc phases, and then provides the possibility for the occurrence of fcc nucleation.

  7. 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...

  8. Dynamical structure of hadron emission sources

    International Nuclear Information System (INIS)

    Zhao Xi; Huang Bangrong; Zhao Shusong

    2000-01-01

    NA22 experimental data of the triplet seagull effects show that the Doppler effects of the hadron emission sources exist exactly in the hadron-hadron collisions. Every source possesses the same average energy (CMS) approximately. The collective seagull effects can be also explained by the (aQ) ν K ν (aQ) distributions (Generalized functions). The dynamical structure of a hadron emission source is described by the (aQ) ν K ν (aQ) distributions. The anomalous dimensions of the pionic quantum fields are γ B (g R ) = - 0.045 +- 0.012, which control the singularities of the production amplitude in quantum field theory. The mathematical parameter ε = 4-D (the dimension D of space time) in the Feynman integrals can be replaced by the anomalous γ B (g R ) of the quantum fields for the regularization. (-2γ B (g R )↔ε/2 1/ln(Λ 2 /m 2 )Λ→∞)

  9. Coupling of electromagnetics and structural/fluid dynamics - application to the dual coolant blanket subjected to plasma disruptions

    International Nuclear Information System (INIS)

    Jordan, T.

    1996-01-01

    Some aspects concerning the coupling of quasi-stationary electromagnetics and the dynamics of structure and fluid are investigated. The necessary equations are given in a dimensionless form. The dimensionless parameters in these equations are used to evaluate the importance of the different coupling effects. A finite element formulation of the eddy-current damping in solid structures is developed. With this formulation, an existing finite element method (FEM) structural dynamics code is extended and coupled to an FEM eddy-current code. With this program system, the influence of the eddy-current damping on the dynamic loading of the dual coolant blanket during a centered plasma disruption is determined. The analysis proves that only in loosely fixed or soft structures will eddy-current damping considerably reduce the resulting stresses. Additionally, the dynamic behavior of the liquid metal in the blankets' poloidal channels is described with a simple two-dimensional magnetohydrodynamic approach. The analysis of the dimensionless parameters shows that for small-scale experiments, which are designed to model the coupled electromagnetic and structural/fluid dynamic effects in such a blanket, the same magnetic fields must be applied as in the real fusion device. This will be the easiest way to design experiments that produce transferable results. 10 refs., 7 figs

  10. Effects of Added Mass and Structural Damping on Dynamic Responses of a 3D Wedge Impacting on Water

    Directory of Open Access Journals (Sweden)

    Pengyao Yu

    2018-05-01

    Full Text Available The impact between the wave and the bottom of a high-speed vessel is often simplified as water-entry problems of wedges. Most investigations focus on the water entry of two dimensional (2D wedges. The effects of added mass and structural damping are still not fully investigated. By combining the normal mode method, the hydrodynamic impact model of rigid wedges and the potential flow theory, a dynamic model for predicting the response of a three dimensional (3D wedge impacting on water with a constant velocity is established in this paper. The present model can selectively consider the effects of the added mass and the structural damping. The present method has been validated through comparisons with results of published literatures and commercial software. It is found that the added mass can increase the stress response before the flow separation, and reduce the vibration frequency after the flow separation. Due to the effect of the added mass, the stress response of some positions after the flow separation is even higher than that before the flow separation. The structural damping has a negligible effect on the stress before the flow separation, but it can reduce vibration stress after the flow separation.

  11. Experimental and theoretical investigations of soil-structure interaction effect at HDR-reactor-building

    International Nuclear Information System (INIS)

    Wassermann, K.

    1983-01-01

    Full-scale dynamic testing on intermediate and high levels was performed at the Heissdampfreaktor (HDR) in 1979. Various types of dynamic forces were applied and response of the reactor containment structure and internal components was measured. Precalculations of dynamic behaviour and response of the structure were made through different mathematical models for the structure and the underlying soil. Soil-Structure Interaction effects are investigated and different theoretical models are compared with experimental results. In each model, the soil is represented by springs attached to the structural model. Stiffnesses of springs are calculated by different finite-element idealizations and half-space approximations. Eigenfrequencies and damping values related to interaction effects (translation, rocking, torsion) are identified from test results. The comparisons of dynamic characteristic of the soil-structure system between precalculations and test results show good agreement in general. (orig.)

  12. 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

  13. 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.

  14. Wind turbine structural dynamics - a review of the principles for modern power generation, onshore and offshore

    Energy Technology Data Exchange (ETDEWEB)

    Tempel, J. van der; Molenaar, D.-P.

    2002-07-01

    Wind turbines for electricity production have two seemingly opposing constraints; they need to be structural secure yet of low cost. To meet the first constraint, it would be an obvious choice to design a stiff structure of consequently large mass but this would drive up the cost. By reducing the mass a more cost effective turbine can be realized. However, such lightweight structures are by definition more flexible. To design a cost effective flexible system, thorough understanding of the dynamics is essential. This paper reviews the theoretical basics of the dynamic design options and applies these to realistic situations, including offshore machines under wave action. The wind energy converter and the support structure form an integrated dynamic system that must be developed in mutual interdependency and close co-operation. This paper provides a contribution to this integration process by extending the design approach initiated in the Opti-OW ECS study and the work of Kuhn. (author)

  15. Parallel processing for nonlinear dynamics simulations of structures including rotating bladed-disk assemblies

    Science.gov (United States)

    Hsieh, Shang-Hsien

    1993-01-01

    The principal objective of this research is to develop, test, and implement coarse-grained, parallel-processing strategies for nonlinear dynamic simulations of practical structural problems. There are contributions to four main areas: finite element modeling and analysis of rotational dynamics, numerical algorithms for parallel nonlinear solutions, automatic partitioning techniques to effect load-balancing among processors, and an integrated parallel analysis system.

  16. Dynamic interaction of components, structure, and foundation of nuclear power facilities

    International Nuclear Information System (INIS)

    Pajuhesh, J.; Hadjian, A.H.

    1977-01-01

    A solution is formulated for the dynamic analysis of structures and components with different stiffness and damping characteristics, including the consideration of soil-structure interaction effects. Composite structures are often analysed approximately, in particular with regards to damping. For example, the reactor and other equipment in nuclear power plant structures are often analysed by assuming them uncoupled from the supporting structures. To achieve a better accuracy, the coupled system is hereby analysed as a composite component-structure-soil system. To demonstrate the assembly technique, two examples are considered: (a) a steel structure sitting on a concrete stem and linked by a steel bridge to another concrete structure, and (b) an actual model of a nuclear power plant containment structure. (Auth.)

  17. Phytoestrogens and Mycoestrogens Induce Signature Structure Dynamics Changes on Estrogen Receptor α

    Directory of Open Access Journals (Sweden)

    Xueyan Chen

    2016-08-01

    Full Text Available Endocrine disrupters include a broad spectrum of chemicals such as industrial chemicals, natural estrogens and androgens, synthetic estrogens and androgens. Phytoestrogens are widely present in diet and food supplements; mycoestrogens are frequently found in grains. As human beings and animals are commonly exposed to phytoestrogens and mycoestrogens in diet and environment, it is important to understand the potential beneficial or hazardous effects of estrogenic compounds. Many bioassays have been established to study the binding of estrogenic compounds with estrogen receptor (ER and provided rich data in the literature. However, limited assays can offer structure information with regard to the ligand/ER complex. Our current study surveys the global structure dynamics changes for ERα ligand binding domain (LBD when phytoestrogens and mycoestrogens bind. The assay is based on the structure dynamics information probed by hydrogen deuterium exchange mass spectrometry and offers a unique viewpoint to elucidate the mechanism how phytoestrogens and mycoestrogens interact with estrogen receptor. The cluster analysis based on the hydrogen deuterium exchange (HDX assay data reveals a unique pattern when phytoestrogens and mycoestrogens bind with ERα LBD compared to that of estradiol and synthetic estrogen modulators. Our study highlights that structure dynamics could play an important role in the structure function relationship when endocrine disrupters interact with estrogen receptors.

  18. Structure, entanglements and dynamics of polymer nanocomposites containing spherical nanoparticles

    International Nuclear Information System (INIS)

    Karatrantos, A; Clarke, N; Composto, R J; Winey, K I

    2014-01-01

    We investigate the effect of nanoparticles on polymer structure, nanoparticle dynamics and topological constraints (entanglements) in polymer melts for nanoparticle loading above percolation threshold as high as 40.9% using stochastic molecular dynamics (MD) simulations. An increase in the number of entanglements (decrease of N e with 40.9% volume fraction of nanoparticles dispersed in the polymer matrix) in the nanocomposites is observed as evidenced by larger contour lengths of the primitive paths. Attraction between polymers and nanoparticles affects the entanglements in the nanocomposites and alters the primitive path. The diffusivity of small sized nanoparticles deviates significantly from the Stokes- Einstein relation

  19. Structure identification and adaptive synchronization of uncertain general complex dynamical networks

    International Nuclear Information System (INIS)

    Xu Yuhua; Zhou Wuneng; Fang Jian'an; Lu Hongqian

    2009-01-01

    This Letter proposes an approach to identify the topological structure and unknown parameters for uncertain general complex networks simultaneously. By designing effective adaptive controllers, we achieve synchronization between two complex networks. The unknown network topological structure and system parameters of uncertain general complex dynamical networks are identified simultaneously in the process of synchronization. Several useful criteria for synchronization are given. Finally, an illustrative example is presented to demonstrate the application of the theoretical results.

  20. Structure identification and adaptive synchronization of uncertain general complex dynamical networks

    Energy Technology Data Exchange (ETDEWEB)

    Xu Yuhua, E-mail: yuhuaxu2004@163.co [College of Information Science and Technology, Donghua University, Shanghai 201620 (China) and Department of Maths, Yunyang Teacher' s College, Hubei 442000 (China); Zhou Wuneng, E-mail: wnzhou@163.co [College of Information Science and Technology, Donghua University, Shanghai 201620 (China); Fang Jian' an [College of Information Science and Technology, Donghua University, Shanghai 201620 (China); Lu Hongqian [Shandong Institute of Light Industry, Shandong Jinan 250353 (China)

    2009-12-28

    This Letter proposes an approach to identify the topological structure and unknown parameters for uncertain general complex networks simultaneously. By designing effective adaptive controllers, we achieve synchronization between two complex networks. The unknown network topological structure and system parameters of uncertain general complex dynamical networks are identified simultaneously in the process of synchronization. Several useful criteria for synchronization are given. Finally, an illustrative example is presented to demonstrate the application of the theoretical results.

  1. 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.

  2. 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

  3. Fluid-structure interaction dynamic simulation of spring-loaded pressure relief valves under seismic wave

    Science.gov (United States)

    Lv, Dongwei; Zhang, Jian; Yu, Xinhai

    2018-05-01

    In this paper, a fluid-structure interaction dynamic simulation method of spring-loaded pressure relief valve was established. The dynamic performances of the fluid regions and the stress and strain of the structure regions were calculated at the same time by accurately setting up the contact pairs between the solid parts and the coupling surfaces between the fluid regions and the structure regions. A two way fluid-structure interaction dynamic simulation of a simplified pressure relief valve model was carried out. The influence of vertical sinusoidal seismic waves on the performance of the pressure relief valve was preliminarily investigated by loading sine waves. Under vertical seismic waves, the pressure relief valve will flutter, and the reseating pressure was affected by the amplitude and frequency of the seismic waves. This simulation method of the pressure relief valve under vertical seismic waves can provide effective means for investigating the seismic performances of the valves, and make up for the shortcomings of the experiment.

  4. Dispersion and Solvation Effects on the Structure and Dynamics of N719 Adsorbed to Anatase Titania (101) Surfaces in Room-Temperature Ionic Liquids: An ab Initio Molecular Simulation Study

    KAUST Repository

    Byrne, Aaron; English, Niall J.; Schwingenschlö gl, Udo; Coker, David F.

    2015-01-01

    Ab initio, density functional theory (DFT)-based molecular dynamics (MD) has been carried out to investigate the effect of explicit solvation on the dynamical and structural properties of a [bmim][NTf2] room-temperature ionic liquid (RTIL

  5. Electrostatic cloaking of surface structure for dynamic wetting

    Science.gov (United States)

    Shiomi, Junichiro; Nita, Satoshi; Do-Quang, Minh; Wang, Jiayu; Chen, Yu-Chung; Suzuki, Yuji; Amberg, Gustav

    2017-11-01

    Dynamic wetting problems are fundamental to the understanding of the interaction between liquids and solids. Even in a superficially simple experimental situation, such as a droplet spreading over a dry surface, the result may depend not only on the liquid properties but also strongly on the substrate-surface properties; even for macroscopically smooth surfaces, the microscopic geometrical roughness can be important. In addition, as surfaces may often be naturally charged, or electric fields are used to manipulate fluids, electric effects are crucial components that influence wetting phenomena. Here we investigate the interplay between electric forces and surface structures in dynamic wetting. While surface microstructures can significantly hinder the spreading, we find that the electrostatics can ``cloak'' the microstructures, i.e. deactivate the hindering. We identify the physics in terms of reduction in contact-line friction, which makes the dynamic wetting inertial force dominant and insensitive to the substrate properties. This work was financially supported in part by, the Japan Society for the Promotion of Science, Swedish Governmental Agency for Innovation Systems, and the Japan Science and Technology Agency.

  6. Topology optimization of continuum structure with dynamic constraints using mode identification

    International Nuclear Information System (INIS)

    Li, Jianhongyu; Chen, Shenyan; Huang, Hai

    2015-01-01

    For the problems such as mode exchange and localized modes in topology optimization of continuum structure with dynamic constraints, it is difficult to apply the traditional optimization model which considers fixed order mode frequencies as constraints in optimization calculation. A new optimization model is established, in which the dynamical constraints are changed as frequencies of structural principal vibrations. The order of the principal vibrations is recognized through modal identification in the optimization process, and the constraints are updated to make the optimization calculation execute smoothly. Localized mode elimination techniques are introduced to reduce the localized modes induced by the low density elements, which could improve the optimization efficiency. A new optimization process is designed, which achieves the purpose of overcoming mode exchange problem and localized mode problem at the cost of increasing several structural analyses. Optimization system is developed by using Nastran to perform structural analysis and sensitivity analysis and two-level multipoint approximation algorithm as optimizer. Numerical results verified that the presented method is effective and reasonable.

  7. Effect of the three-dimensional structure of laser emission on the dynamics of low-threshold optical breakdown plasmas

    Science.gov (United States)

    Anisimov, V. N.; Arutiunian, R. V.; Bol'Shov, L. A.; Derkach, O. N.; Kanevskii, M. F.

    1989-03-01

    The effect of the transverse structure of pulsed CO2 laser emission on the dynamics of laser-induced detonation waves propagating from a metal surface and on plasma transparency recovery is investigated theoretically and experimentally. Particular attention is given to breakdown initiation near the surface. It is suggested that the inclusion of refraction in the plasma into a self-consistent numerical mode is essential for the adequate quantitative description of experimental data on the interaction of laser emission with low-threshold optical breakdown plasmas.

  8. 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.

  9. 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)

  10. Dynamic interaction effects in cooling tower groups

    International Nuclear Information System (INIS)

    Riera, J.D.

    1984-01-01

    A theoretical and experimental determination of the dynamic response of reinforced concrete cooling towers, taking into consideration group effects, are described. The results for an individual tower are thoroughly examined. A complete analysis is then performed for the critical wind orientations, for each tower in a six towers group. It's shown that ignoring group effects in the analysis may lead to a significant underestimation of the structural response. (E.G.) [pt

  11. 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.

  12. Test Model for Dynamic Characteristics of a Cantilevered Simple Cylindrical Structure Submerged in a Liquid

    International Nuclear Information System (INIS)

    Park, Chang Gyu; Kim, Tae Sung; Kim, Hoe Woong; Kim, Jong Bum

    2013-01-01

    A coolant free surface level is dependent on the operating conditions, and thus the fluid added mass caused by contacting sodium with the structure affects the dynamic characteristic of the UIS. In this study, a numerical analysis model was proposed and a feasibility study was performed through structural testing. The dynamic characteristics for a simple cylindrical structure simulating the UIS outer cylinder will be tested. Currently, the FE analyses were carried out to confirm the effect of water chamber structure on the natural frequency of the test model. The submerged condition of a UIS cylinder affects its natural frequency. A test model of a simple cylindrical structure was prepared to conduct a dynamic test, and each structure component of the test equipment may affect the natural frequency. A cup-shaped cylindrical structure was applied to develop the numerical analysis method for a structure submerged in water and it was verified through a structural test. With this numerical analysis model, the effect of the water chamber material for a simple cylindrical structure was studied. The candidate materials for water chamber were acryl and 316SS with different thicknesses. Both materials showed a higher natural frequency than the reference model. A water chamber made of 316SS with a thick wall gave a closer result to the reference natural frequency than an acryl chamber. The expected natural frequency of the test facility has about a 4% difference based on the reference value, considering a water chamber with a 1 cm thickness. This result will be verified through an ongoing future structural test activity

  13. Effect of noise on fractal structure

    Energy Technology Data Exchange (ETDEWEB)

    Serletis, Demitre [Division of Neurosurgery, Hospital for Sick Children, 1504-555 University Avenue, Toronto, Ont., M5G 1X8 (Canada)], E-mail: demitre.serletis@utoronto.ca

    2008-11-15

    In this paper, I investigate the effect of dynamical noise on the estimation of the Hurst exponent and the fractal dimension of time series. Recently, Serletis et al. [Serletis, Apostolos, Asghar Shahmoradi, Demitre Serletis. Effect of noise on estimation of Lyapunov exponents from a time series. Chaos, Solitons and Fractals, forthcoming] have shown that dynamical noise can make the detection of chaotic dynamics very difficult, and Serletis et al. [Serletis, Apostolos, Asghar Shahmoradi, Demitre Serletis. Effect of noise on the bifurcation behavior of dynamical systems. Chaos, Solitons and Fractals, forthcoming] have shown that dynamical noise can also shift bifurcation points and produce noise-induced transitions, making the determination of bifurcation boundaries difficult. Here I apply the detrending moving average (DMA) method, recently developed by Alessio et al. [Alessio E, Carbone A, Castelli G, Frappietro V. Second-order moving average and scaling of stochastic time series. The Eur Phys J B 2002;27:197-200] and Carbone et al. [Carbone A, Castelli G, Stanley HE. Time-dependent Hurst exponent in financial time series. Physica A 2004;344:267-71; Carbone A, Castelli G, Stanley HE. Analysis of clusters formed by the moving average of a long-range correlated time series. Phys Rev E 2004;69:026105], to estimate the Hurst exponent of a Brownian walk with a Hurst exponent of 0.5, coupled with low and high intensity noise, and show that dynamical noise has no effect on fractal structure.

  14. Comment on ‘An effective fitting scheme for the dynamic structure of pure liquids’

    International Nuclear Information System (INIS)

    Bafile, U; Guarini, E; Barocchi, F

    2014-01-01

    The occurrence of a propagation gap in the acoustic excitations of a liquid is excluded by Wax and Bryk (2013 J. Phys.: Condens. Matter 25 325104). The requirement of a finite second frequency moment for the dynamic structure factor is used to come to this conclusion. We show here that this requirement does not conflict with the existence of overdamped, non-propagating modes which give rise to spectra that do not contain inelastic components. Such a behaviour has indeed been detected in the analysis of the collective dynamics of several liquids, carried out by using well-established sum-rule-compliant S(q, ω) models. (comment)

  15. MULTISCALE DYNAMICS OF SOLAR MAGNETIC STRUCTURES

    International Nuclear Information System (INIS)

    Uritsky, Vadim M.; Davila, Joseph M.

    2012-01-01

    Multiscale topological complexity of the solar magnetic field is among the primary factors controlling energy release in the corona, including associated processes in the photospheric and chromospheric boundaries. We present a new approach for analyzing multiscale behavior of the photospheric magnetic flux underlying these dynamics as depicted by a sequence of high-resolution solar magnetograms. The approach involves two basic processing steps: (1) identification of timing and location of magnetic flux origin and demise events (as defined by DeForest et al.) by tracking spatiotemporal evolution of unipolar and bipolar photospheric regions, and (2) analysis of collective behavior of the detected magnetic events using a generalized version of the Grassberger-Procaccia correlation integral algorithm. The scale-free nature of the developed algorithms makes it possible to characterize the dynamics of the photospheric network across a wide range of distances and relaxation times. Three types of photospheric conditions are considered to test the method: a quiet photosphere, a solar active region (NOAA 10365) in a quiescent non-flaring state, and the same active region during a period of M-class flares. The results obtained show (1) the presence of a topologically complex asymmetrically fragmented magnetic network in the quiet photosphere driven by meso- and supergranulation, (2) the formation of non-potential magnetic structures with complex polarity separation lines inside the active region, and (3) statistical signatures of canceling bipolar magnetic structures coinciding with flaring activity in the active region. Each of these effects can represent an unstable magnetic configuration acting as an energy source for coronal dissipation and heating.

  16. 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.

  17. Preliminary results on the dynamics of large and flexible space structures in Halo orbits

    Science.gov (United States)

    Colagrossi, Andrea; Lavagna, Michèle

    2017-05-01

    The global exploration roadmap suggests, among other ambitious future space programmes, a possible manned outpost in lunar vicinity, to support surface operations and further astronaut training for longer and deeper space missions and transfers. In particular, a Lagrangian point orbit location - in the Earth- Moon system - is suggested for a manned cis-lunar infrastructure; proposal which opens an interesting field of study from the astrodynamics perspective. Literature offers a wide set of scientific research done on orbital dynamics under the Three-Body Problem modelling approach, while less of it includes the attitude dynamics modelling as well. However, whenever a large space structure (ISS-like) is considered, not only the coupled orbit-attitude dynamics should be modelled to run more accurate analyses, but the structural flexibility should be included too. The paper, starting from the well-known Circular Restricted Three-Body Problem formulation, presents some preliminary results obtained by adding a coupled orbit-attitude dynamical model and the effects due to the large structure flexibility. In addition, the most relevant perturbing phenomena, such as the Solar Radiation Pressure (SRP) and the fourth-body (Sun) gravity, are included in the model as well. A multi-body approach has been preferred to represent possible configurations of the large cis-lunar infrastructure: interconnected simple structural elements - such as beams, rods or lumped masses linked by springs - build up the space segment. To better investigate the relevance of the flexibility effects, the lumped parameters approach is compared with a distributed parameters semi-analytical technique. A sensitivity analysis of system dynamics, with respect to different configurations and mechanical properties of the extended structure, is also presented, in order to highlight drivers for the lunar outpost design. Furthermore, a case study for a large and flexible space structure in Halo orbits around

  18. Dynamic buckling of inelastic structures

    International Nuclear Information System (INIS)

    Pegon, P.; Guelin, P.

    1983-01-01

    The aim of this paper is to provide research engineers with a method of approach, qualitative feature and order of magnitude of the relevant parameters in the field of dynamic buckling of structures exhibiting constitutive irreversibility and geometrical, constitutive or loading imperfections. It is difficult to adjust some of the classical analysis of the quasi-static elastic case. There remain also some difficulties in justifying the choice of constitutive schemes and in dealing with general kinematic formulation. Moreover, the interpretation of dynamical experimental data is not an easy matter. Consequently, the attempts described here use a simple symbolic model including all essential physical aspects. This symbolic model, of discrete character, is an n-hinged strut with masses located at each n+1 joint. The constitutive properties of the strut and hinge are defined using the same method: a dash-pot is in parallel with a two fold element (spring and friction-slider in series). The intrinsic restrictions are: the two dimensionality assumption, however no additional hypothesis are made concerning the kinematic of the constitutive elements; the use of simple sources of intrinsic dissipation. The relevant question of the longitudinal-transverse coupling effects is studied. Then, after various validation, we verify that a Lagrange resolution of this n+1 body problem gives physical relevant qualitative results concerning rods and cylindrical shells subjected to impact loading. (orig./RW)

  19. 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.)

  20. 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.

  1. Dynamical structure of hadron emission sources

    CERN Document Server

    Zhao Xi; Zhao Shu Song

    2000-01-01

    NA22 experimental data of the triplet seagull effects show that the Doppler effects of hadron emission sources exist exactly in hadron- hadron collisions. Every source possesses the same average energy (CMS) approximately. The collective seagull effects can be also explained by the (aQ)/sup nu /K/sub nu / (aQ) distributions (generalized functions). The dynamical structure of a hadron emission source is described by the (aQ)/sup nu /K/sub nu / (aQ) distributions. The anomalous dimensions of the pionic quantum fields are gamma /sub B/(g/sub R/)=-0.045+or-0.012, which control the singularities of the production amplitude in quantum field theory. The mathematical parameter epsilon =4-D (the dimension D of space time) in the Feynman integrals can be replaced by the anomalous gamma /sub B/(g/sub R/) of the quantum fields for the regularization. (-2 gamma /sub B/(g/sub R/) to or from epsilon /2=1/ln( Lambda /sup 2//m /sup 2/) Lambda to infinity ). (26 refs).

  2. 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

  3. 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)

  4. Core-hole-induced dynamical effects in the x-ray emission spectrum of liquid methanol.

    Science.gov (United States)

    Ljungberg, M P; Zhovtobriukh, I; Takahashi, O; Pettersson, L G M

    2017-04-07

    We compute the x-ray emission spectrum of liquid methanol, with the dynamical effects that result from the creation of the core hole included in a semiclassical way. Our method closely reproduces a fully quantum mechanical description of the dynamical effects for relevant one-dimensional models of the hydrogen-bonded methanol molecules. For the liquid, we find excellent agreement with the experimental spectrum, including the large isotope effect in the first split peak. The dynamical effects depend sensitively on the initial structure in terms of the local hydrogen-bonding (H-bonding) character: non-donor molecules contribute mainly to the high-energy peak while molecules with a strong donating H-bond contribute to the peak at lower energy. The spectrum thus reflects the initial structure mediated by the dynamical effects that are, however, seen to be crucial in order to reproduce the intensity distribution of the recently measured spectrum.

  5. Electromagnetic effects on dynamics of high-beta filamentary structures

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Wonjae; Krasheninnikov, Sergei I., E-mail: skrash@mae.ucsd.edu [University of California, San Diego, 9500 Gilman Drive, La Jolla, California 92093 (United States); Umansky, Maxim V. [Lawrence Livermore National Laboratory, 7000 East Avenue, Livermore, California 94550 (United States); Angus, J. R. [Naval Research Laboratory, 4555 Overlook Avenue, Washington, DC 20375 (United States)

    2015-01-15

    The impacts of the electromagnetic effects on blob dynamics are considered. Electromagnetic BOUT++ simulations on seeded high-beta blobs demonstrate that inhomogeneity of magnetic curvature or plasma pressure along the filament leads to bending of the blob filaments and the magnetic field lines due to increased propagation time of plasma current (Alfvén time). The bending motion can enhance heat exchange between the plasma facing materials and the inner scrape-off layer (SOL) region. The effects of sheath boundary conditions on the part of the blob away from the boundary are also diminished by the increased Alfvén time. Using linear analysis and BOUT++ simulations, it is found that electromagnetic effects in high temperature and high density plasmas reduce the growth rate of resistive drift wave instability when resistivity drops below a certain value. The blobs temperature decreases in the course of its motion through the SOL and so the blob can switch from the electromagnetic to the electrostatic regime where resistive drift waves become important again.

  6. 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

  7. 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).

  8. Structure and lattice dynamics in non-centrosymmetric borates

    International Nuclear Information System (INIS)

    Stein, W.D.R.

    2007-01-01

    This thesis deals with a study of structural and lattice dynamical properties of some noncentrosymmetric borates with outstanding non-linear optical properties. The focus was on the compound bismuth triborate (BiB 3 O 6 ). The structure of the tetraborates MB 4 O 7 (M=Pb,Sr,Ba) was also investigated. The structural investigations in bismuth triborate include powder and single crystal diffraction experiments on X-ray and neutron sources. The crystal structure was under examination in the temperature range from 100 K to room temperature and the lattice constants in the temperature range from 20 K to 800 K. The lattice constants show a nearly linear dependency from temperature. Our observations are in good agreement with investigations of the thermal expansion, which shows a strong anisotropy within the layer-like structure of bismuth triborate. Within the borate layers, along the polar axis a strong positive and in the orthogonal direction a negative thermal expansion is observed. This effect can be explained by a zig-zag effect within the borate layers. The lone electron pair at the bismuth atom is discussed to be possibly the origin of the temperature dependency of the coordination environment of the bismuth atom. The influence of the lone electron pair on the crystal structure is raising by lowering the temperature. At the bismuth atom distinct anharmonic effects are observed, where the maximum points along the direction of the polar axis and therefore along the direction of the lone electron pair. The phonon dispersion of bismuth triborate has been investigated by inelastic neutron scattering. The low symmetry of the crystal structure depicts to be a special challenge. The dispersion was observed along the three reciprocal lattice constants. Along the polar axis the dispersion could be characterized to a maximum energy of 20 THz. The low energy acoustic branch along the polar axis shows a softening at the zone boundary. In the orthogonal directions the dispersion

  9. 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

  10. Reconstruction of dynamic structures of experimental setups based on measurable experimental data only

    Science.gov (United States)

    Chen, Tian-Yu; Chen, Yang; Yang, Hu-Jiang; Xiao, Jing-Hua; Hu, Gang

    2018-03-01

    Nowadays, massive amounts of data have been accumulated in various and wide fields, it has become today one of the central issues in interdisciplinary fields to analyze existing data and extract as much useful information as possible from data. It is often that the output data of systems are measurable while dynamic structures producing these data are hidden, and thus studies to reveal system structures by analyzing available data, i.e., reconstructions of systems become one of the most important tasks of information extractions. In the past, most of the works in this respect were based on theoretical analyses and numerical verifications. Direct analyses of experimental data are very rare. In physical science, most of the analyses of experimental setups were based on the first principles of physics laws, i.e., so-called top-down analyses. In this paper, we conducted an experiment of “Boer resonant instrument for forced vibration” (BRIFV) and inferred the dynamic structure of the experimental set purely from the analysis of the measurable experimental data, i.e., by applying the bottom-up strategy. Dynamics of the experimental set is strongly nonlinear and chaotic, and itʼs subjects to inevitable noises. We proposed to use high-order correlation computations to treat nonlinear dynamics; use two-time correlations to treat noise effects. By applying these approaches, we have successfully reconstructed the structure of the experimental setup, and the dynamic system reconstructed with the measured data reproduces good experimental results in a wide range of parameters.

  11. 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.

  12. 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.

  13. Experimental/analytical approaches to modeling, calibrating and optimizing shaking table dynamics for structural dynamic applications

    Science.gov (United States)

    Trombetti, Tomaso

    This thesis presents an Experimental/Analytical approach to modeling and calibrating shaking tables for structural dynamic applications. This approach was successfully applied to the shaking table recently built in the structural laboratory of the Civil Engineering Department at Rice University. This shaking table is capable of reproducing model earthquake ground motions with a peak acceleration of 6 g's, a peak velocity of 40 inches per second, and a peak displacement of 3 inches, for a maximum payload of 1500 pounds. It has a frequency bandwidth of approximately 70 Hz and is designed to test structural specimens up to 1/5 scale. The rail/table system is mounted on a reaction mass of about 70,000 pounds consisting of three 12 ft x 12 ft x 1 ft reinforced concrete slabs, post-tensioned together and connected to the strong laboratory floor. The slip table is driven by a hydraulic actuator governed by a 407 MTS controller which employs a proportional-integral-derivative-feedforward-differential pressure algorithm to control the actuator displacement. Feedback signals are provided by two LVDT's (monitoring the slip table relative displacement and the servovalve main stage spool position) and by one differential pressure transducer (monitoring the actuator force). The dynamic actuator-foundation-specimen system is modeled and analyzed by combining linear control theory and linear structural dynamics. The analytical model developed accounts for the effects of actuator oil compressibility, oil leakage in the actuator, time delay in the response of the servovalve spool to a given electrical signal, foundation flexibility, and dynamic characteristics of multi-degree-of-freedom specimens. In order to study the actual dynamic behavior of the shaking table, the transfer function between target and actual table accelerations were identified using experimental results and spectral estimation techniques. The power spectral density of the system input and the cross power spectral

  14. Protic ammonium carboxylate ionic liquids: insight into structure, dynamics and thermophysical properties by alkyl group functionalization.

    Science.gov (United States)

    Reddy, Th Dhileep N; Mallik, Bhabani S

    2017-04-19

    This study is aimed at characterising the structure, dynamics and thermophysical properties of five alkylammonium carboxylate ionic liquids (ILs) from classical molecular dynamics simulations. The structural features of these ILs were characterised by calculating the site-site radial distribution functions, g(r), spatial distribution functions and structure factors. The structural properties demonstrate that ILs show greater interaction between cations and anions when alkyl chain length increases on the cation or anion. In all ILs, spatial distribution functions show that the anion is close to the acidic hydrogen atoms of the ammonium cation. We determined the role of alkyl group functionalization of the charged entities, cations and anions, in the dynamical behavior and the transport coefficients of this family of ionic liquids. The dynamics of ILs are described by studying the mean square displacement (MSD) of the centres of mass of the ions, diffusion coefficients, ionic conductivities and hydrogen bonds as well as residence dynamics. The diffusion coefficients and ionic conductivity decrease with an increase in the size of the cation or anion. The effect of alkyl chain length on ionic conductivity calculated in this article is consistent with the findings of other experimental studies. Hydrogen bond lifetimes and residence times along with structure factors were also calculated, and are related to alkyl chain length.

  15. 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

  16. A study on dynamic soil-nuclear structure interaction subjected to seismic loading

    International Nuclear Information System (INIS)

    Lee, In Mo; Kim, Yong Jin; Song, Tae Won

    1989-01-01

    The uncertainties of Dynamic Soil-Structure Interaction (DSSI) are studied in this paper. Among the various uncertainties, we concentrate on studying the random error and the systematic error of the DSSI. The one-dimensional theory, Elsabee-Morray theory and FEM method that can account for the effect of free field and scattering field, and the elastic half space analysis are used to get the reponses of structures as well as the input ground motions. The main conclusions of this study are as follows: 1) The responses of structures obtained by the one-dimensional theoy are mostlu larger than those obtained by the FEM method because of scattering field effect. 2) The responses of structures obtained by the direct method are larger than those obtained by the half space analysis. (Author)

  17. 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

  18. 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;}

  19. Microscopic dynamics of water around unfolded structures of barstar at room temperature

    Energy Technology Data Exchange (ETDEWEB)

    Pal, Somedatta; Chakraborty, Kaushik; Khatua, Prabir; Bandyopadhyay, Sanjoy, E-mail: sanjoy@chem.iitkgp.ernet.in [Molecular Modeling Laboratory, Department of Chemistry, Indian Institute of Technology, Kharagpur 721302 (India)

    2015-02-07

    The breaking of the native structure of a protein and its influences on the dynamic response of the surrounding solvent is an important issue in protein folding. In this work, we have carried out atomistic molecular dynamics simulations to unfold the protein barstar at two different temperatures (400 K and 450 K). The two unfolded forms obtained at such high temperatures are further studied at room temperature to explore the effects of nonuniform unfolding of the protein secondary structures along two different pathways on the microscopic dynamical properties of the surface water molecules. It is demonstrated that though the structural transition of the protein in general results in less restricted water motions around its segments, but there are evidences of formation of new conformational motifs upon unfolding with increasingly confined environment around them, thereby resulting in further restricted water mobility in their hydration layers. Moreover, it is noticed that the effects of nonuniform unfolding of the protein segments on the relaxation times of the protein–water (PW) and the water–water (WW) hydrogen bonds are correlated with hindered hydration water motions. However, the kinetics of breaking and reformation of such hydrogen bonds are found to be influenced differently at the interface. It is observed that while the effects of unfolding on the PW hydrogen bond kinetics seem to be minimum, but the kinetics involving the WW hydrogen bonds around the protein segments exhibit noticeably heterogeneous characteristics. We believe that this is an important observation, which can provide valuable insights on the origin of heterogeneous influence of unfolding of a protein on the microscopic properties of its hydration water.

  20. Modeling dynamic effects of promotion on interpurchase times

    NARCIS (Netherlands)

    D. Fok (Dennis); R. Paap (Richard); Ph.H.B.F. Franses (Philip Hans)

    2002-01-01

    textabstractIn this paper we put forward a duration model to analyze the dynamic effects of marketing-mix variables on interpurchase times. We extend the accelerated failure-time model with an autoregressive structure. An important feature of our model is that it allows for different long-run and

  1. 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

  2. Structural phase transition and dynamical properties of PbTiO3 simulated by molecular dynamics

    International Nuclear Information System (INIS)

    Costa, S C; Pizani, P S; Rino, J P; Borges, D S

    2005-01-01

    The temperature- and pressure-induced structural phase transition in PbTiO 3 is studied with the isoenthalpic-isobaric molecular-dynamics method, using an effective two-body interaction potential. The tetragonal to cubic transformation is successfully reproduced with both temperature and pressure. The behaviour of lattice parameters, vibrational density of states, and phonon anharmonicity with temperature and pressure are in very good agreement with experimental data. Two- and three-body correlations were analysed through pair distribution functions, coordination numbers and bond-angle distributions

  3. Effects of mobility on ordering dynamics

    International Nuclear Information System (INIS)

    Baronchelli, Andrea; Pastor-Satorras, Romualdo

    2009-01-01

    Models of ordering dynamics allow us to understand natural systems in which an initially disordered population homogenizes some traits via local interactions. The simplest of these models, with wide applications ranging from evolutionary to social dynamics, are the Voter and Moran processes, usually defined in terms of static or randomly mixed individuals that interact with a neighbor to copy or modify a discrete trait. Here we study the effects of diffusion in Voter/Moran processes by proposing a generalization of ordering dynamics in a metapopulation framework, in which individuals are endowed with mobility and diffuse through a spatial structure represented as a graph of patches upon which interactions take place. We show that diffusion dramatically affects the time to reach the homogeneous state, independently of the underlying network's topology, while the final consensus emerges through different local/global mechanisms, depending on the mobility strength. Our results highlight the crucial role played by mobility in ordering processes and set up a general framework that allows its effect to be studied on a large class of models, with implications in the understanding of evolutionary and social phenomena. (letter)

  4. Centrifuge modelling of seismic soil structure interaction effects

    International Nuclear Information System (INIS)

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

    2007-01-01

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

  5. Effects of Neuromodulation on Excitatory-Inhibitory Neural Network Dynamics Depend on Network Connectivity Structure

    Science.gov (United States)

    Rich, Scott; Zochowski, Michal; Booth, Victoria

    2018-01-01

    Acetylcholine (ACh), one of the brain's most potent neuromodulators, can affect intrinsic neuron properties through blockade of an M-type potassium current. The effect of ACh on excitatory and inhibitory cells with this potassium channel modulates their membrane excitability, which in turn affects their tendency to synchronize in networks. Here, we study the resulting changes in dynamics in networks with inter-connected excitatory and inhibitory populations (E-I networks), which are ubiquitous in the brain. Utilizing biophysical models of E-I networks, we analyze how the network connectivity structure in terms of synaptic connectivity alters the influence of ACh on the generation of synchronous excitatory bursting. We investigate networks containing all combinations of excitatory and inhibitory cells with high (Type I properties) or low (Type II properties) modulatory tone. To vary network connectivity structure, we focus on the effects of the strengths of inter-connections between excitatory and inhibitory cells (E-I synapses and I-E synapses), and the strengths of intra-connections among excitatory cells (E-E synapses) and among inhibitory cells (I-I synapses). We show that the presence of ACh may or may not affect the generation of network synchrony depending on the network connectivity. Specifically, strong network inter-connectivity induces synchronous excitatory bursting regardless of the cellular propensity for synchronization, which aligns with predictions of the PING model. However, when a network's intra-connectivity dominates its inter-connectivity, the propensity for synchrony of either inhibitory or excitatory cells can determine the generation of network-wide bursting.

  6. Dynamic stress of impeller blade of shaft extension tubular pump device based on bidirectional fluid-structure interaction

    Energy Technology Data Exchange (ETDEWEB)

    Kan, Kan; Liu, Huiwen; Yang, Chunxia [Hohai University, Nanjing (China); Zheng, Yuan [National Engineering Research Center of Water Resources Efficient Utilization and Engineering Safety, Nanjing (China); Fu, Shifeng; Zhang, Xin [Power China Huadong Engineering Corporation, Hangzhou (China)

    2017-04-15

    Current research on the stability of tubular pumps is mainly concerned with the transient hydrodynamic characteristics. However, the structural response under the influence of fluid-structure interaction hasn't been taken fully into consideration. The instability of the structure can cause vibration and cracks, which may threaten the safety of the unit. We used bidirectional fluid-structure interaction to comprehensively analyze the dynamic stress characteristics of the impeller blades of the shaft extension tubular pump device. Furthermore, dynamic stress of impeller blade of shaft extension tubular pump device was solved under different lift conditions of 0° blade angle. Based on Reynolds-average N-S equation and SST k-ω turbulence model, numerical simulation was carried out for three-dimensional unsteady incompressible turbulent flow field of the pump device whole flow passage. Meanwhile, the finite element method was used to calculate dynamic characteristics of the blade structure. The blade dynamic stress distribution was obtained on the basis of fourth strength theory. The research results indicate that the maximum blade dynamic stress appears at the joint between root of inlet side of the blade suction surface and the axis. Considering the influence of gravity, the fluctuation of the blade dynamic stress increases initially and decreases afterwards within a rotation period. In the meantime, the dynamic stress in the middle part of inlet edge presents larger relative fluctuation amplitude. Finally, a prediction method for dynamic stress distribution of tubular pump considering fluid-structure interaction and gravity effect was proposed. This method can be used in the design stage of tubular pump to predict dynamic stress distribution of the structure under different operating conditions, improve the reliability of pump impeller and analyze the impeller fatigue life.

  7. 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.

  8. Dynamic soil-structure interactions on embedded buildings

    International Nuclear Information System (INIS)

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

    1983-01-01

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

  9. 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 ...

  10. Structure functions of hadrons in the QCD effective theory

    International Nuclear Information System (INIS)

    Shigetani, Takayuki

    1996-01-01

    We study the structure functions of hadrons with the low energy effective theory of QCD. We try to clarify a link between the low energy effective theory, where non-perturbative dynamics is essential, and the high energy deep inelastic scattering experiment. We calculate the leading twist matrix elements of the structure function at the low energy model scale within the effective theory. Calculated structure functions are evoluted to the high momentum scale with the help of the perturbative QCD, and compared with the experimental data. Through the comparison of the model calculations with the experiment, we discuss how the non-perturbative dynamics of the effective theory is reflected in the deep inelastic phenomena. We first evaluate the structure functions of the pseudoscalar mesons using the NJL model. The resulting structure functions show reasonable agreements with experiments. We study then the quark distribution functions of the nucleon using a covariant quark-diquark model. We calculate three leading twist distribution functions, spin-independent f 1 (x), longitudinal spin distribution g 1 (x), and chiral-odd transversity spin distribution h 1 (x). The results for f 1 (x) and g 1 (x) turn out to be consistent with available experiments because of the strong spin-0 diquark correlation. (author)

  11. 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.

  12. 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

  13. 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.

  14. The effect of organizational structure on innovation capacity in ...

    African Journals Online (AJOL)

    The effect of organizational structure on innovation capacity in Moroccan ... in management sciences shows that the construct of innovation constitutes a major ... work on entrepreneurial orientation, the ability to launch new products or services. ... organizational structure plays a central role in the development of a dynamic ...

  15. 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.

  16. 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.

  17. 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)

  18. 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

  19. 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.)

  20. 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.

  1. 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

  2. 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

  3. Efficiency of fiber reinforced concrete application in structures subjected to dynamic effects

    Directory of Open Access Journals (Sweden)

    Morozov Valeriy Ivanovich

    2014-03-01

    Full Text Available Fiber reinforced concretes possess high strength under dynamic loadings, which include impact loads, thanks to their high structural viscosity. This is the reason for using them in difficult operating conditions, where increasing the performance characteristics and the structure durability is of prime importance, and the issues of the cost become less significant. Applying methods of disperse reinforcement is most challenging in case of subtle high-porous materials on mineral binders, for example foamed concrete. At the same time, the experiments conducted in Russia and abroad show, that also in other cases the concrete strength resistance several times increases as a result of disperse reinforcement. This doesn't depend on average density of the concrete and type of fiber used. In the article the fibre reinforced concrete impact resistance is analysed. Recommendations are given in regard to fibre concrete application in manufacture of monolithic floor units for industrial buildings and precast piles.

  4. Structural dynamic and resistance to nuclear air blast

    International Nuclear Information System (INIS)

    Qureshi, S.M.

    2003-01-01

    A need exists to design protective shelters attached to specialized facilities against nuclear airbursts, explosive shocks and impacting projectiles. Designing such structures against nuclear and missile impact is a challenging task that needs to be looked into for design methodology formulation and practicability. Structures can be designed for overpressure pulsed generated by a nuclear explosion as well as the scabbing and perforation/punching of an impacting projectile. This paper discuses and formulates the methods of dynamic analysis and design required to undertake such a task. Structural resistance to peak overpressure pulse for a 20 KT weapons and smaller tactical nuclear weapons of 1 KT (16 psi, overpressure) size as a direct air blast overpressure has been considered in design of walls, beams and slabs of a special structure under review. The design of shear reinforcement as lacing is also carried out. Adopting the philosophy of strengthening and hardening can minimize the effect of air blast overpressure and projectile impact. The objective is to avoid a major structural failure. The structure then needs to be checked against ballistic penetration by a range of weapons or be required to resist explosive penetration from the charge detonated in contact with the structure. There is also a dire need to formulate protective guidelines for all existing and future critical facilities. (author)

  5. 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)

  6. 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.

  7. Test Particle Energization and the Anisotropic Effects of Dynamical MHD Turbulence

    Science.gov (United States)

    González, C. A.; Dmitruk, P.; Mininni, P. D.; Matthaeus, W. H.

    2017-11-01

    In this paper, we analyze the effect of dynamical three-dimensional magnetohydrodynamic (MHD) turbulence on test particle acceleration and compare how this evolving system affects particle energization by current sheet interaction, as opposed to frozen-in-time fields. To do this, we analyze the ensemble particle acceleration for static electromagnetic fields extracted from direct numerical simulations of the MHD equations, and compare it with the dynamical fields. We show that a reduction in particle acceleration in the dynamical model results from particle trapping in field lines, which forces the particles to be advected by the flow and suppresses long exposures to the strong electric field gradients that take place between structures and generate (among other effects) an efficient particle acceleration in the static case. In addition, we analyze the effect of anisotropy caused by the mean magnetic field. It is well known that for sufficiently strong external fields, the system experiences a transition toward a two-dimensional flow. This causes an increment in the size of the coherent structures, resulting in a magnetized state of the particles and a reduction in particle energization.

  8. 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

  9. Application of Incremental Dynamic Analysis (IDA Method for Studying the Dynamic Behavior of Structures During Earthquakes

    Directory of Open Access Journals (Sweden)

    M. Javanpour

    2017-02-01

    Full Text Available Prediction of existing buildings’ vulnerability by future earthquakes is one of the most essential topics in structural engineering. Modeling steel structures is a giant step in determining the damage caused by the earthquake, as such structures are increasingly being used in constructions. Hence, two same-order steel structures with two types of structural systems were selected (coaxial moment frames and moment frame. In most cases, a specific structure needs to satisfy several functional levels. For this purpose, a method is required to determine the input request to the structures under possible earthquakes. Therefore, the Incremental Dynamic Analysis (IDA was preferred to the Push-Over non-linear static method for the analysis and design of the considered steel structures, due its accuracy and effect of higher modes at the same time intervals. OpenSees software was used to perform accurate nonlinear analysis of the steel structure. Two parameters (spectral acceleration and maximum ground acceleration were introduced to the modeled frames to compare the numerical correlations of seismic vulnerability obtained by two statistical methods based on the "log-normal distribution" and "logistics distribution", and finally, the parameters of displacement and drift were assessed after analysis.

  10. Nonlinear dynamic analysis of hydrodynamically-coupled stainless steel structures

    International Nuclear Information System (INIS)

    Zhao, Y.

    1996-01-01

    Spent nuclear fuel is usually stored temporarily on the site of nuclear power plants. The spent fuel storage racks are nuclear-safety-related stainless steel structures required to be analyzed for seismic loads. When the storage pool is subjected to three-dimensional (3-D) floor seismic excitations, rack modules, stored fuel bundles, adjacent racks and pool walls, and surrounding water are hydrodynamically coupled. Hydrodynamic coupling (HC) significantly affects the dynamic responses of the racks that are free-standing and submerged in water within the pool. A nonlinear time-history dynamic analysis is usually needed to describe the motion behavior of the racks that are both geometrically nonlinear and material nonlinear in nature. The nonlinearities include the friction resistance between the rack supporting legs and the pool floor, and various potential impacts of fuel-rack, rack-rack, and rack-pool wall. The HC induced should be included in the nonlinear dynamic analysis using the added-hydrodynamic-mass concept based on potential theory per the US Nuclear Regulatory Commission (USNRC) acceptance criteria. To this end, a finite element analysis constitutes a feasible and effective tool. However, most people perform somewhat simplified 1-D, or 2-D, or 3-D single rack and 2-D multiple rack analyses. These analyses are incomplete because a 3-D single rack model behaves quite differently from a 2-D mode. Furthermore, a 3-D whole pool multi-rack model behaves differently than a 3-D single rack model, especially when the strong HC effects are unsymmetrical. In this paper 3-D nonlinear dynamic time-history analyses were performed in a more quantitative manner using sophisticated finite element models developed for a single rack as well as all twelve racks in the whole-pool. Typical response results due to different HC effects are determined and discussed

  11. A Comparative Study on Optimal Structural Dynamics Using Wavelet Functions

    Directory of Open Access Journals (Sweden)

    Seyed Hossein Mahdavi

    2015-01-01

    Full Text Available Wavelet solution techniques have become the focus of interest among researchers in different disciplines of science and technology. In this paper, implementation of two different wavelet basis functions has been comparatively considered for dynamic analysis of structures. For this aim, computational technique is developed by using free scale of simple Haar wavelet, initially. Later, complex and continuous Chebyshev wavelet basis functions are presented to improve the time history analysis of structures. Free-scaled Chebyshev coefficient matrix and operation of integration are derived to directly approximate displacements of the corresponding system. In addition, stability of responses has been investigated for the proposed algorithm of discrete Haar wavelet compared against continuous Chebyshev wavelet. To demonstrate the validity of the wavelet-based algorithms, aforesaid schemes have been extended to the linear and nonlinear structural dynamics. The effectiveness of free-scaled Chebyshev wavelet has been compared with simple Haar wavelet and two common integration methods. It is deduced that either indirect method proposed for discrete Haar wavelet or direct approach for continuous Chebyshev wavelet is unconditionally stable. Finally, it is concluded that numerical solution is highly benefited by the least computation time involved and high accuracy of response, particularly using low scale of complex Chebyshev wavelet.

  12. 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.

  13. 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

  14. Cooling rate and size effects on the medium-range structure of multicomponent oxide glasses simulated by molecular dynamics

    Energy Technology Data Exchange (ETDEWEB)

    Tilocca, Antonio [Department of Chemistry, University College London, 20 Gordon Street, London WC1H 0AJ (United Kingdom)

    2013-09-21

    A set of molecular dynamics simulations were performed to investigate the effect of cooling rate and system size on the medium-range structure of melt-derived multicomponent silicate glasses, represented by the quaternary 45S5 Bioglass composition. Given the significant impact of the glass degradation on applications of these materials in biomedicine and nuclear waste disposal, bulk structural features which directly affect the glass dissolution process are of particular interest. Connectivity of the silicate matrix, ion clustering and nanosegregation, distribution of ring and chain structural patterns represent critical features in this context, which can be directly extracted from the models. A key issue is represented by the effect of the computational approach on the corresponding glass models, especially in light of recent indications questioning the suitability of conventional MD approaches (that is, involving melt-and-quench of systems containing ∼10{sup 3} atoms at cooling rates of 5-10 K/ps) when applied to model these glasses. The analysis presented here compares MD models obtained with conventional and nonconventional cooling rates and system sizes, highlighting the trend and range of convergence of specific structural features in the medium range. The present results show that time-consuming computational approaches involving much lower cooling rates and/or significantly larger system sizes are in most cases not necessary in order to obtain a reliable description of the medium-range structure of multicomponent glasses. We identify the convergence range for specific properties and use them to discuss models of several glass compositions for which a possible influence of cooling-rate or size effects had been previously hypothesized. The trends highlighted here represent an important reference to obtain reliable models of multicomponent glasses and extract converged medium-range structural features which affect the glass degradation and thus their

  15. Cooling rate and size effects on the medium-range structure of multicomponent oxide glasses simulated by molecular dynamics

    International Nuclear Information System (INIS)

    Tilocca, Antonio

    2013-01-01

    A set of molecular dynamics simulations were performed to investigate the effect of cooling rate and system size on the medium-range structure of melt-derived multicomponent silicate glasses, represented by the quaternary 45S5 Bioglass composition. Given the significant impact of the glass degradation on applications of these materials in biomedicine and nuclear waste disposal, bulk structural features which directly affect the glass dissolution process are of particular interest. Connectivity of the silicate matrix, ion clustering and nanosegregation, distribution of ring and chain structural patterns represent critical features in this context, which can be directly extracted from the models. A key issue is represented by the effect of the computational approach on the corresponding glass models, especially in light of recent indications questioning the suitability of conventional MD approaches (that is, involving melt-and-quench of systems containing ∼10 3 atoms at cooling rates of 5-10 K/ps) when applied to model these glasses. The analysis presented here compares MD models obtained with conventional and nonconventional cooling rates and system sizes, highlighting the trend and range of convergence of specific structural features in the medium range. The present results show that time-consuming computational approaches involving much lower cooling rates and/or significantly larger system sizes are in most cases not necessary in order to obtain a reliable description of the medium-range structure of multicomponent glasses. We identify the convergence range for specific properties and use them to discuss models of several glass compositions for which a possible influence of cooling-rate or size effects had been previously hypothesized. The trends highlighted here represent an important reference to obtain reliable models of multicomponent glasses and extract converged medium-range structural features which affect the glass degradation and thus their application

  16. 3D dynamic displacement-field measurement for structural health monitoring using inexpensive RGB-D based sensor

    Science.gov (United States)

    Abdelbarr, Mohamed; Chen, Yulu Luke; Jahanshahi, Mohammad R.; Masri, Sami F.; Shen, Wei-Men; Qidwai, Uvais A.

    2017-12-01

    The advent of inexpensive digital cameras with depth sensing capabilities (RGB-D cameras) has opened the door to numerous useful applications that need quantitative measures of dynamic fields whose simultaneous time history quantification (at many points as dictated by the resolution of the camera) provides capabilities that were previously accessible only through expensive sensors (e.g., laser scanners). This paper presents a comprehensive experimental and computational study to evaluate the performance envelope of a representative RGB-D sensor (the first generation of Kinect sensor) with the aim of assessing its suitability for the class of problems encountered in the structural dynamics field, where reasonably accurate information of evolving displacement fields (as opposed to few discrete locations) that have simultaneous dynamic planar translational motion with significant rotational (torsional) components. This study investigated the influence of key system parameters of concern in selecting an appropriate sensor for such structural dynamic applications, such as amplitude range, spectral content of the dynamic displacements, location and orientation of sensors relative to target structure, fusing of measurements from multiple sensors, sensor noise effects, rolling-shutter effects, etc. The calibration results show that if the observed displacement field generates discrete (pixel) sensor measurements with sufficient resolution (observed displacements more than 10 mm) beyond the sensor noise floor, then the subject sensors can typically provide reasonable accuracy for transnational motion (about 5%) when the frequency range of the evolving field is within about 10 Hz. However, the expected error for torsional measurements is around 6% for static motion and 10% for dynamic rotation for measurements greater than 5°.

  17. Vibrational dynamics and band structure of methyl-terminated Ge(111)

    Energy Technology Data Exchange (ETDEWEB)

    Hund, Zachary M.; Nihill, Kevin J.; Sibener, S. J., E-mail: s-sibener@uchicago.edu [The James Franck Institute and Department of Chemistry, The University of Chicago, 929 E. 57" t" h Street, Chicago, Illinois 60637 (United States); Campi, Davide; Bernasconi, M. [Dipartimento di Scienza dei Materiali, Universita di Milano-Bicocca, Via Cozzi 53, 20125 Milano (Italy); Wong, Keith T.; Lewis, Nathan S. [Division of Chemistry and Chemical Engineering, Beckman Institute and Kavli Nanoscience Institute, California Institute of Technology, 210 Noyes Laboratory, 127-72, Pasadena, California 91125 (United States); Benedek, G. [Dipartimento di Scienza dei Materiali, Universita di Milano-Bicocca, Via Cozzi 53, 20125 Milano (Italy); Donostia International Physics Center (DIPC), Universidad del País Vasco (EHU), 20018 Donostia/San Sebastian (Spain)

    2015-09-28

    A combined synthesis, experiment, and theory approach, using elastic and inelastic helium atom scattering along with ab initio density functional perturbation theory, has been used to investigate the vibrational dynamics and band structure of a recently synthesized organic-functionalized semiconductor interface. Specifically, the thermal properties and lattice dynamics of the underlying Ge(111) semiconductor crystal in the presence of a commensurate (1 × 1) methyl adlayer were defined for atomically flat methylated Ge(111) surfaces. The mean-square atomic displacements were evaluated by analysis of the thermal attenuation of the elastic He diffraction intensities using the Debye-Waller model, revealing an interface with hybrid characteristics. The methyl adlayer vibrational modes are coupled with the Ge(111) substrate, resulting in significantly softer in-plane motion relative to rigid motion in the surface normal. Inelastic helium time-of-flight measurements revealed the excitations of the Rayleigh wave across the surface Brillouin zone, and such measurements were in agreement with the dispersion curves that were produced using density functional perturbation theory. The dispersion relations for H-Ge(111) indicated that a deviation in energy and lineshape for the Rayleigh wave was present along the nearest-neighbor direction. The effects of mass loading, as determined by calculations for CD{sub 3}-Ge(111), as well as by force constants, were less significant than the hybridization between the Rayleigh wave and methyl adlayer librations. The presence of mutually similar hybridization effects for CH{sub 3}-Ge(111) and CH{sub 3}-Si(111) surfaces extends the understanding of the relationship between the vibrational dynamics and the band structure of various semiconductor surfaces that have been functionalized with organic overlayers.

  18. Vibrational dynamics and band structure of methyl-terminated Ge(111)

    International Nuclear Information System (INIS)

    th Street, Chicago, Illinois 60637 (United States))" data-affiliation=" (The James Franck Institute and Department of Chemistry, The University of Chicago, 929 E. 57th Street, Chicago, Illinois 60637 (United States))" >Hund, Zachary M.; th Street, Chicago, Illinois 60637 (United States))" data-affiliation=" (The James Franck Institute and Department of Chemistry, The University of Chicago, 929 E. 57th Street, Chicago, Illinois 60637 (United States))" >Nihill, Kevin J.; th Street, Chicago, Illinois 60637 (United States))" data-affiliation=" (The James Franck Institute and Department of Chemistry, The University of Chicago, 929 E. 57th Street, Chicago, Illinois 60637 (United States))" >Sibener, S. J.; Campi, Davide; Bernasconi, M.; Wong, Keith T.; Lewis, Nathan S.; Benedek, G.

    2015-01-01

    A combined synthesis, experiment, and theory approach, using elastic and inelastic helium atom scattering along with ab initio density functional perturbation theory, has been used to investigate the vibrational dynamics and band structure of a recently synthesized organic-functionalized semiconductor interface. Specifically, the thermal properties and lattice dynamics of the underlying Ge(111) semiconductor crystal in the presence of a commensurate (1 × 1) methyl adlayer were defined for atomically flat methylated Ge(111) surfaces. The mean-square atomic displacements were evaluated by analysis of the thermal attenuation of the elastic He diffraction intensities using the Debye-Waller model, revealing an interface with hybrid characteristics. The methyl adlayer vibrational modes are coupled with the Ge(111) substrate, resulting in significantly softer in-plane motion relative to rigid motion in the surface normal. Inelastic helium time-of-flight measurements revealed the excitations of the Rayleigh wave across the surface Brillouin zone, and such measurements were in agreement with the dispersion curves that were produced using density functional perturbation theory. The dispersion relations for H-Ge(111) indicated that a deviation in energy and lineshape for the Rayleigh wave was present along the nearest-neighbor direction. The effects of mass loading, as determined by calculations for CD 3 -Ge(111), as well as by force constants, were less significant than the hybridization between the Rayleigh wave and methyl adlayer librations. The presence of mutually similar hybridization effects for CH 3 -Ge(111) and CH 3 -Si(111) surfaces extends the understanding of the relationship between the vibrational dynamics and the band structure of various semiconductor surfaces that have been functionalized with organic overlayers

  19. Annual Report 1998: Chemical Structure and Dynamics

    Energy Technology Data Exchange (ETDEWEB)

    SD Colson; RS McDowell

    1999-05-10

    The Chemical Structure and Dynamics (CS&D) program is a major component of the William R. Wiley Environmental Molecular Sciences Labo- ratory (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 interracial chemical processes within which the new knowledge generated can be brought to bear on complex phenomena in envi- ronmental chemistry and in nuclear waste proc- essing and storage; and (3) developing state-of- the-art analytical methods for characterizing com- plex materials of the types found in stored wastes and contaminated soils, and for detecting and monitoring trace atmospheric species. Our program aims at achieving a quantitative understanding of chemical reactions at interfaces and, more generally, in condensed media, compa- rable to that currently available for gas-phase reactions. This understanding will form the basis for the development of a priori theories for pre- dicting macroscopic chemical behavior in con- densed and heterogeneous media, which will add significantly to the value of field-scale envi- ronmental models, predictions of short- and long- term nuclear waste storage stabilities, and other areas related to the primary missions of the U.S. Department of Energy (DOE).

  20. Curvature effects on lipid packing and dynamics in liposomes revealed by coarse grained molecular dynamics simulations

    NARCIS (Netherlands)

    Risselada, H. Jelger; Marrink, Siewert J.

    2009-01-01

    The molecular packing details of lipids in planar bilayers are well characterized. For curved bilayers, however, little data is available. In this paper we study the effect of temperature and membrane composition on the structural and dynamical properties of a liposomal membrane in the limit of high

  1. Sex difference and Allee effects shape the dynamics of sex-structured invasions.

    Science.gov (United States)

    Shaw, Allison K; Kokko, Hanna; Neubert, Michael G

    2018-01-01

    The rate at which a population grows and spreads can depend on individual behaviour and interactions with others. In many species with two sexes, males and females differ in key life-history traits (e.g. growth, survival and dispersal), which can scale up to affect population rates of growth and spread. In sexually reproducing species, the mechanics of locating mates and reproducing successfully introduce further complications for predicting the invasion speed (spread rate), as both can change nonlinearly with density. Most models of population spread are based on one sex, or include limited aspects of sex differences. Here we ask whether and how the dynamics of finding mates interact with sex-specific life-history traits to influence the rate of population spread. We present a hybrid approach for modelling invasions of populations with two sexes that links individual-level mating behaviour (in an individual-based model) to population-level dynamics (in an integrodifference equation model). We find that limiting the amount of time during which individuals can search for mates causes a demographic Allee effect which can slow, delay, or even prevent an invasion. Furthermore, any sex-based asymmetries in life history or behaviour (skewed sex ratio, sex-biased dispersal, and sex-specific mating behaviours) amplify these effects. In contrast, allowing individuals to mate more than once ameliorates these effects, enabling polygynandrous populations to invade under conditions where monogamously mating populations would fail to establish. We show that details of individuals' mating behaviour can impact the rate of population spread. Based on our results, we propose a stricter definition of a mate-finding Allee effect, which is not met by the commonly used minimum mating function. Our modelling approach, which links individual- and population-level dynamics in a single model, may be useful for exploring other aspects of individual behaviour that are thought to impact the

  2. Parametric Study of the Effect of Membrane Tension on Sunshield Dynamics

    Science.gov (United States)

    Ross, Brian; Johnston, John D.; Smith, James

    2002-01-01

    The NGST sunshield is a lightweight, flexible structure consisting of pretensioned membranes supported by deployable booms. The structural dynamic behavior of the sunshield must be well understood in order to predict its influence on observatory performance. A 1/10th scale model of the sunshield has been developed for ground testing to provide data to validate modeling techniques for thin film membrane structures. The validated models can then be used to predict the behaviour of the full scale sunshield. This paper summarizes the most recent tests performed on the 1/10th scale sunshield to study the effect of membrane preload on sunshield dynamics. Topics to be covered include the test setup, procedures, and a summary of results.

  3. 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

  4. Joint nonlinearity effects in the design of a flexible truss structure control system

    Science.gov (United States)

    Mercadal, Mathieu

    1986-01-01

    Nonlinear effects are introduced in the dynamics of large space truss structures by the connecting joints which are designed with rather important tolerances to facilitate the assembly of the structures in space. The purpose was to develop means to investigate the nonlinear dynamics of the structures, particularly the limit cycles that might occur when active control is applied to the structures. An analytical method was sought and derived to predict the occurrence of limit cycles and to determine their stability. This method is mainly based on the quasi-linearization of every joint using describing functions. This approach was proven successful when simple dynamical systems were tested. Its applicability to larger systems depends on the amount of computations it requires, and estimates of the computational task tend to indicate that the number of individual sources of nonlinearity should be limited. Alternate analytical approaches, which do not account for every single nonlinearity, or the simulation of a simplified model of the dynamical system should, therefore, be investigated to determine a more effective way to predict limit cycles in large dynamical systems with an important number of distributed nonlinearities.

  5. 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.

  6. Effects of structural and dynamic family characteristics on the development of depressive and aggressive problems during adolescence. The TRAILS study

    NARCIS (Netherlands)

    Sijtsema, J.J.; Oldehinkel, A.J.; Veenstra, R.; Verhulst, F.C.; Ormel, J.

    2014-01-01

    Both structural (i.e., SES, familial psychopathology, family composition) and dynamic (i.e., parental warmth and rejection) family characteristics have been associated with aggressive and depressive problem development. However, it is unclear to what extent (changes in) dynamic family

  7. Effects of structural and dynamic family characteristics on the development of depressive and aggressive problems during adolescence. The TRAILS study

    NARCIS (Netherlands)

    Sijtsema, J. J.; Oldehinkel, A. J.; Veenstra, René; Verhulst, F. C.; Ormel, J.

    Both structural (i.e., SES, familial psychopathology, family composition) and dynamic (i.e., parental warmth and rejection) family characteristics have been associated with aggressive and depressive problem development. However, it is unclear to what extent (changes in) dynamic family

  8. 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.

  9. 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

  10. System structure and cognitive ability as predictors of performance in dynamic system control tasks

    Directory of Open Access Journals (Sweden)

    Jan Hundertmark

    2015-12-01

    Full Text Available In dynamic system control, cognitive mechanisms and abilities underlying performance may vary depending on the nature of the task. We therefore investigated the effects of system structure and its interaction with cognitive abilities on system control performance. A sample of 127 university students completed a series of different system control tasks that were manipulated in terms of system size and recurrent feedback, either with or without a cognitive load manipulation. Cognitive abilities assessed included reasoning ability, working memory capacity, and cognitive reflection. System size and recurrent feedback affected overall performance as expected. Overall, the results support that cognitive ability is a good predictor of performance in dynamic system control tasks but predictiveness is reduced when the system structure contains recurrent feedback. We discuss this finding from a cognitive processing perspective as well as its implications for individual differences research in dynamic systems.

  11. Effect of Ring Size in ω-Alicyclic Fatty Acids on the Structural and Dynamical Properties Associated with Fluidity in Lipid Bilayers.

    Science.gov (United States)

    Poger, David; Mark, Alan E

    2015-10-27

    Fatty acids containing a terminal cyclic group such as cyclohexyl and cycloheptyl are commonly found in prokaryotic membranes, especially in those of thermo-acidophilic bacteria. These so-called ω-alicyclic fatty acids have been proposed to stabilize the membranes of bacteria by reducing the fluidity in membranes and increasing lipid packing and lipid chain order. In this article, molecular dynamics simulations are used to examine the effect of 3- to 7-membered cycloalkyl saturated and unsaturated (cyclopent-2-enyl and phenyl) rings in ω-alicyclic fatty acyl chains on the structure (lipid packing, lipid chain order, and fraction of gauche defects in the chains) and dynamics (lateral lipid diffusion) of a model lipid bilayer. It was found that ω-alicyclic chains in which the ring was saturated reduced lipid condensation and lowered chain order which would be associated with enhanced fluidity. However, this effect was limited. The lateral diffusion of the lipids diminished as the ring size increased. In particular, ω-cyclohexyl and ω-cycloheptyl acyl tails led to a decrease in lipid diffusion. In contrast, ω-alicyclic acyl chains that contain an unsaturated ring promoted membrane fluidity both in terms of changes in membrane structure and lipid diffusion. This may indicate that saturated and unsaturated terminal rings in ω-alicyclic fatty acids fulfill alternative functions within membranes. Overall, the simulations suggest that ω-alicyclic fatty acids in which the terminal ring is saturated might protect the membrane of thermo-acidophilic bacteria from high-temperature and low-pH conditions through a "dynamical barrier" that would limit lipid diffusion and transmembrane diffusion of undesired ions and molecules.

  12. 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.

  13. PREFACE: Liquid-solid interfaces: structure and dynamics from spectroscopy and simulations Liquid-solid interfaces: structure and dynamics from spectroscopy and simulations

    Science.gov (United States)

    Gaigeot, Marie-Pierre; Sulpizi, Marialore

    2012-03-01

    energy electron diffraction (LEED), He atom scattering (HAS) and STM, to investigate the organization of water on metal, namely Pd(111) and Pt(111). Direct measurements of hyperpolarizabilities for non-linear spectroscopy can be made through hyper-Rayleigh scattering experiments, which are presented here by the group of P F Brevet on gold and silver nanoparticles. From the point of view of molecular dynamics simulations of interfaces, complementary levels of calculations are presented in this special section. The groups of K Leung, M-P Gaigeot, M Sulpizi and M Sprik provide theoretical investigations with DFT-based molecular dynamics simulations. Leung et al and Gaigeot et al address the hot topic issue of the reactivity of oxides surface sites and especially reliable methods to calculate pKas of these sites, with simulations taking into account both the solid and the liquid explicitly, and at the same first principles level of theory. Gaigeot, Sprik and Sulpizi furthermore combine the information on the structural organization of liquid water at the interface with quartz and alumina via pKa calculations and vibrational features (and their microscopic assignments). Mixed quantum/classical molecular dynamics (QM/MM) simulations are presented by Ishiyama and Morita for the investigation of another topical interface, i.e. the liquid-air interface. They provide the theoretical VSFG spectrum of the water-vapor interface and some understanding at the microscopic level of the experimental vibrational features. Molecular dynamics simulations based on empirical force fields have been applied to investigate hydrophobic interfaces by the groups of B Space and P Carloni. Carloni et al address salt effects at water-hydrophobic interfaces, investigating how the salts affect the structural organization of water at these interfaces. Space et al provide theoretical approximations to VSFG calculations in the special case of the carbon tetrachloride-water interface and the assignments of

  14. Dynamic characterization, monitoring and control of rotating flexible beam-mass structures via piezo-embedded techniques

    Science.gov (United States)

    Lai, Steven H.-Y.

    1992-01-01

    A variational principle and a finite element discretization technique were used to derive the dynamic equations for a high speed rotating flexible beam-mass system embedded with piezo-electric materials. The dynamic equation thus obtained allows the development of finite element models which accommodate both the original structural element and the piezoelectric element. The solutions of finite element models provide system dynamics needed to design a sensing system. The characterization of gyroscopic effect and damping capacity of smart rotating devices are addressed. Several simulation examples are presented to validate the analytical solution.

  15. Effects of structural and dynamic family characteristics on the development of depressive and aggressive problems during adolescence. The TRAILS study.

    Science.gov (United States)

    Sijtsema, J J; Oldehinkel, A J; Veenstra, R; Verhulst, F C; Ormel, J

    2014-06-01

    Both structural (i.e., SES, familial psychopathology, family composition) and dynamic (i.e., parental warmth and rejection) family characteristics have been associated with aggressive and depressive problem development. However, it is unclear to what extent (changes in) dynamic family characteristics have an independent effect on problem development while accounting for stable family characteristics and comorbid problem development. This issue was addressed by studying problem development in a large community sample (N = 2,230; age 10-20) of adolescents using Linear Mixed models. Paternal and maternal warmth and rejection were assessed via the Egna Minnen Beträffande Uppfostran for Children (EMBU-C). Aggressive and depressive problems were assessed via subscales of the Youth/Adult Self-Report. Results showed that dynamic family characteristics independently affected the development of aggressive problems. Moreover, maternal rejection in preadolescence and increases in paternal rejection were associated with aggressive problems, whereas decreases in maternal rejection were associated with decreases in depressive problems over time. Paternal and maternal warmth in preadolescence was associated with fewer depressive problems during adolescence. Moreover, increases in paternal warmth were associated with fewer depressive problems over time. Aggressive problems were a stable predictor of depressive problems over time. Finally, those who increased in depressive problems became more aggressive during adolescence, whereas those who decreased in depressive problems became also less aggressive. Besides the effect of comorbid problems, problem development is to a large extent due to dynamic family characteristics, and in particular to changes in parental rejection, which leaves much room for parenting-based interventions.

  16. Time Allocation in Social Networks: Correlation Between Social Structure and Human Communication Dynamics

    Science.gov (United States)

    Miritello, Giovanna; Lara, Rubén; Moro, Esteban

    Recent research has shown the deep impact of the dynamics of human interactions (or temporal social networks) on the spreading of information, opinion formation, etc. In general, the bursty nature of human interactions lowers the interaction between people to the extent that both the speed and reach of information diffusion are diminished. Using a large database of 20 million users of mobile phone calls we show evidence this effect is not homogeneous in the social network but in fact, there is a large correlation between this effect and the social topological structure around a given individual. In particular, we show that social relations of hubs in a network are relatively weaker from the dynamical point than those that are poorer connected in the information diffusion process. Our results show the importance of the temporal patterns of communication when analyzing and modeling dynamical process on social networks.

  17. 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

  18. Dynamical simulation of structural multiplicity in grain boundaries

    International Nuclear Information System (INIS)

    Majid, I.; Bristowe, P.D.

    1987-06-01

    Work on a computer simulation study of a low-energy high-angle boundary structure which is not periodic have been recently reported. This result is of interest since grain boundary structures are usually assumed to have a periodicity corresponding to the appropriate coincidence site lattice (CSL) and many experimental observations of the structure of grain boundaries performed using conventional and high-resolution electron microscopy, electron diffraction and x-ray diffraction appear to support this work. However, this work, using empirical interatomic pair potentials and the relaxation method of molecular statics, have simulated a Σ = 5 36.87 0 (001) twist boundary and found a low energy structure having a larger repeat cell than the CSL and is composed of two different types of structural unit that are randomly distributed in the boundary plane. This result, which has been termed the multiplicity of grain boundary structures, has also been found in the simulation of tilt boundaries. The multiplicity phenomenon is of special interest in twist boundaries since it is used as a structural model to explain the x-ray scattering from a Σ = 5 boundary in gold. These scattering patterns had previously remained unexplained using stable structures that had simple CSL periodicity. Also, the effect of having a multiple number of low energy structural units coexisting in the grain boundary is of more general interest since it implies that the boundary structures may be quasi-periodic and, in some circumstances, may even result in a roughening of the boundary plane. This paper extends this work by showing, using molecular dynamics, that a multiplicity of structural units can actually nucleate spontaneously in a high-angle grain boundary at finite temperatures

  19. A size dependent dynamic model for piezoelectric nanogenerators: effects of geometry, structural and environmental parameters

    Science.gov (United States)

    Sadeghzadeh, Sadegh; Farshad Mir Saeed Ghazi, Seyyed

    2018-03-01

    Piezoelectric Nanogenerator (PENG) is one of the novel energy harvester systems that recently, has been a subject of interest for researchers. By the use of nanogenerators, it’s possible to harvest different forms of energy in the environment like mechanical vibrations and generate electricity. The structure of a PENG consists of vertical arrays of nanowires between two electrodes. In this paper, dynamic analysis of a PENG is studied numerically. The modified couple stress theory which includes one length scale material parameter is used to study the size-dependent behavior of PENGs. Then, by application of a complete form of linear hybrid piezoelectric—pyroelectric equations, and using the Euler-Bernoulli beam model, the equations of motion has been derived. Generalized Differential Quadrature (GDQ) method was employed to solve the equations of motion. The effect of damping ratio, temperature rise, excitation frequency and length scale parameter was studied. It was found that the PENG voltage maximizes at the resonant frequency of nanowire. The temperature rise has a significant effect on PENG’s efficiency. When temperature increases about 10 {{K}}, the maximum voltage increases about 26%. Increasing the damping ratio, the maximum voltage decreases gradually.

  20. Influence of dynamic material properties on the design criteria of containment structures for fast breeder reactors

    International Nuclear Information System (INIS)

    Albertini, C.; Montagnani, M.

    1978-01-01

    Effects of defects in materials, created by welding processes and irradiation, are examined taking into account the influence of strain-rate. Materials examined are austenitic stainless steels, such as AISI 316 L and H, AISI 304 L. The influence of such parameters on the flow curves of these materials requires the introduction of additional safety coefficients in calculating the response of dynamically loaded structures such as the pressure vessel in the case of an accident. Furthermore the effects of dynamic multi-axial loading and wave propagation should be taken into account in the safety analysis. Running experiments in dynamic biaxial loading conditions are introduced. (author)

  1. 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

  2. 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

  3. 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...

  4. Adaptive Sliding Mode Control of Dynamic Systems Using Double Loop Recurrent Neural Network Structure.

    Science.gov (United States)

    Fei, Juntao; Lu, Cheng

    2018-04-01

    In this paper, an adaptive sliding mode control system using a double loop recurrent neural network (DLRNN) structure is proposed for a class of nonlinear dynamic systems. A new three-layer RNN is proposed to approximate unknown dynamics with two different kinds of feedback loops where the firing weights and output signal calculated in the last step are stored and used as the feedback signals in each feedback loop. Since the new structure has combined the advantages of internal feedback NN and external feedback NN, it can acquire the internal state information while the output signal is also captured, thus the new designed DLRNN can achieve better approximation performance compared with the regular NNs without feedback loops or the regular RNNs with a single feedback loop. The new proposed DLRNN structure is employed in an equivalent controller to approximate the unknown nonlinear system dynamics, and the parameters of the DLRNN are updated online by adaptive laws to get favorable approximation performance. To investigate the effectiveness of the proposed controller, the designed adaptive sliding mode controller with the DLRNN is applied to a -axis microelectromechanical system gyroscope to control the vibrating dynamics of the proof mass. Simulation results demonstrate that the proposed methodology can achieve good tracking property, and the comparisons of the approximation performance between radial basis function NN, RNN, and DLRNN show that the DLRNN can accurately estimate the unknown dynamics with a fast speed while the internal states of DLRNN are more stable.

  5. 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.

  6. Dynamic response analysis of an aircraft structure under thermal-acoustic loads

    International Nuclear Information System (INIS)

    Cheng, H; Li, H B; Zhang, W; Wu, Z Q; Liu, B R

    2016-01-01

    Future hypersonic aircraft will be exposed to extreme combined environments includes large magnitude thermal and acoustic loads. It presents a significant challenge for the integrity of these vehicles. Thermal-acoustic test is used to test structures for dynamic response and sonic fatigue due to combined loads. In this research, the numerical simulation process for the thermal acoustic test is presented, and the effects of thermal loads on vibro-acoustic response are investigated. To simulate the radiation heating system, Monte Carlo theory and thermal network theory was used to calculate the temperature distribution. Considering the thermal stress, the high temperature modal parameters are obtained with structural finite element methods. Based on acoustic finite element, modal-based vibro-acoustic analysis is carried out to compute structural responses. These researches are very vital to optimum thermal-acoustic test and structure designs for future hypersonic vehicles structure (paper)

  7. Effects of spin orbital coupling on atomic and electronic structures in Al2Cu and Al2Au crystal and liquid phases via ab initio molecular dynamics simulations

    International Nuclear Information System (INIS)

    Wang, Y.; Lu, Y.H.; Wang, X.D.; Cao, Q.P.; Zhang, D.X.; Jiang, J.Z.

    2014-01-01

    Highlights: • The SOC effect affects the cohesion energy of crystal phase. • The effect of SOC was reduced due to random local atomic structures in liquids. • The local geometrical structures also affect the melting points. • Both SOC effect and local atomic structures are important for melting point difference. - Abstract: The origin of different melting points between Al 2 Cu and Al 2 Au has been studied using ab initio molecular dynamics simulations. Cohesive energy, electronic structures and structure information of both crystal and liquid phases have been analyzed. It is found that spin orbital coupling (SOC) plays an important role on the cohesive energy of crystal phase, consistent with the different melting points of these two alloys. Whereas, it seems that SOC has no effect on the formation energy and structure of liquid phase. Possible mechanism of reduced SOC effect at liquid phase is proposed. Our results are helpful to understand the glass formation ability difference between Al 2 Cu and Al 2 Au

  8. Electronic structure and lattice dynamics of rhombohedral BiAlO_3 from first-principles

    International Nuclear Information System (INIS)

    Kaczkowski, J.

    2016-01-01

    The structural, elastic, electronic, dynamical (zone-center phonon modes and Born effective charge tensors), and ferroelectric properties of the rhombohedral BiAlO_3 were calculated within various exchange-correlation functionals. The standard local-density (LDA) and generalized gradient (GGA) approximations, and nonlocal hybrid Heyd-Scuseria-Ernzerhof (HSE) were used. We have also performed the electronic structure calculations with meta-GGA Tran-Blaha functional. BiAlO_3 is indirect band gap semiconductor with the value of band gap: 2.87 eV (GGA), 4.14 eV (HSE), and 3.78 eV (TB-mBJ). The calculated spontaneous polarization is 81 μC/cm"2 (87 μC/cm"2) for GGA (HSE). The vibrational spectrum including LO-TO splitting was calculated within GGA. The zone-center phonon modes with LO-TO splitting for BiAlO_3 were compared with those in isostructural BiFeO_3. - Highlights: • Electronic structure of the rhombohedral phase of BiAlO_3 were calculated. • Structural, elastic, dynamical, and ferroelectric properties were investigated. • Calculations were done within GGA, hybrid HSE, and TB-mBJ functionals. • The lattice dynamics with LO-TO splitting were investigated within GGA functional.

  9. Seismic Dynamic Damage Characteristics of Vertical and Batter Pile-supported Wharf Structure Systems

    Directory of Open Access Journals (Sweden)

    Li Jiren

    2015-10-01

    Full Text Available Considering a typical steel pipe pile-supported wharf as the research object, finite element analytical models of batter and vertical pile structures were established under the same construction site, service, and geological conditions to investigate the seismic dynamic damage characteristics of vertical and batter pile-supported wharf structures. By the numerical simulation and the nonlinear time history response analysis of structure system and the moment–axial force relation curve, we analyzed the dynamic damage characteristics of the two different structures of batter and vertical piles under different seismic ground motions to provide reasonable basis and reference for designing and selecting a pile-supported wharf structure. Results showed that the axial force of batter piles was dominant in the batter pile structure and that batter piles could effectively bear and share seismic load. Under the seismic ground motion with peak ground acceleration (PGA of 350 Gal and in consideration of the factors of the design requirement of horizontal displacement, the seismic performance of the batter pile structure was better than that of the vertical pile structure. Under the seismic ground motion with a PGA of 1000 Gal, plastic failure occurred in two different structures. The contrastive analysis of the development of plastic damage and the absorption and dissipation for seismic energy indicated that the seismic performance of the vertical pile structure was better than that of the batter pile structure.

  10. Hydration structure and dynamics of a hydroxide ion in water clusters of varying size and temperature: Quantum chemical and ab initio molecular dynamics studies

    International Nuclear Information System (INIS)

    Bankura, Arindam; Chandra, Amalendu

    2012-01-01

    Highlights: ► A theoretical study of hydroxide ion-water clusters is carried for varying cluster size and temperature. ► The structures of OH − (H 2 O) n are found out through quantum chemical calculations for n = 4, 8, 16 and 20. ► The finite temperature behavior of the clusters is studied through ab initio dynamical simulations. ► The spectral features of OH modes (deuterated) and their dependence on hydrogen bonding states of water are discussed. ► The mechanism and kinetics of proton transfer processes in these anionic clusters are also investigated. - Abstract: We have investigated the hydration structure and dynamics of OH − (H 2 O) n clusters (n = 4, 8, 16 and 20) by means of quantum chemical and ab initio molecular dynamics calculations. Quantum chemical calculations reveal that the solvation structure of the hydroxide ion transforms from three and four-coordinated surface states to five-coordinated interior state with increase in cluster size. Several other isomeric structures with energies not very different from the most stable isomer are also found. Ab initio simulations show that the most probable configurations at higher temperatures need not be the lowest energy isomeric structure. The rates of proton transfer in these clusters are found to be slower than that in bulk water. The vibrational spectral calculations reveal distinct features for free OH (deuterated) stretch modes of water in different hydrogen bonding states. Effects of temperature on the structural and dynamical properties are also investigated for the largest cluster considered here.

  11. Population and evolutionary dynamics in spatially structured seasonally varying environments.

    Science.gov (United States)

    Reid, Jane M; Travis, Justin M J; Daunt, Francis; Burthe, Sarah J; Wanless, Sarah; Dytham, Calvin

    2018-03-25

    Increasingly imperative objectives in ecology are to understand and forecast population dynamic and evolutionary responses to seasonal environmental variation and change. Such population and evolutionary dynamics result from immediate and lagged responses of all key life-history traits, and resulting demographic rates that affect population growth rate, to seasonal environmental conditions and population density. However, existing population dynamic and eco-evolutionary theory and models have not yet fully encompassed within-individual and among-individual variation, covariation, structure and heterogeneity, and ongoing evolution, in a critical life-history trait that allows individuals to respond to seasonal environmental conditions: seasonal migration. Meanwhile, empirical studies aided by new animal-tracking technologies are increasingly demonstrating substantial within-population variation in the occurrence and form of migration versus year-round residence, generating diverse forms of 'partial migration' spanning diverse species, habitats and spatial scales. Such partially migratory systems form a continuum between the extreme scenarios of full migration and full year-round residence, and are commonplace in nature. Here, we first review basic scenarios of partial migration and associated models designed to identify conditions that facilitate the maintenance of migratory polymorphism. We highlight that such models have been fundamental to the development of partial migration theory, but are spatially and demographically simplistic compared to the rich bodies of population dynamic theory and models that consider spatially structured populations with dispersal but no migration, or consider populations experiencing strong seasonality and full obligate migration. Second, to provide an overarching conceptual framework for spatio-temporal population dynamics, we define a 'partially migratory meta-population' system as a spatially structured set of locations that can

  12. Dynamical effects in electron spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Zhou, Jianqiang Sky, E-mail: jianqiang.zhou@polytechnique.edu; Reshetnyak, Igor; Giorgetti, Christine; Sottile, Francesco; Reining, Lucia [Laboratoire des Solides Irradiés, École Polytechnique, CNRS, CEA-DSM-IRAMIS, Université Paris-Saclay, F-91128 Palaiseau (France); Kas, J. J.; Rehr, J. J. [Department of Physics, University of Washington, Seattle, Washington 98195-1560 (United States); Sponza, Lorenzo [Department of Physics, King’s College London, London WC2R 2LS (United Kingdom); Guzzo, Matteo [Institut für Physik und IRIS Adlershof, Humboldt-Universität zu Berlin, D-12489 Berlin (Germany); Gatti, Matteo [Laboratoire des Solides Irradiés, École Polytechnique, CNRS, CEA-DSM-IRAMIS, Université Paris-Saclay, F-91128 Palaiseau (France); Synchrotron SOLEIL, L’Orme des Merisiers, Saint-Aubin, BP 48, F-91192 Gif-sur-Yvette (France)

    2015-11-14

    One of the big challenges of theoretical condensed-matter physics is the description, understanding, and prediction of the effects of the Coulomb interaction on materials properties. In electronic spectra, the Coulomb interaction causes a renormalization of energies and change of spectral weight. Most importantly, it can lead to new structures, often called satellites. These can be linked to the coupling of excitations, also termed dynamical effects. State-of-the-art methods in the framework of many-body perturbation theory, in particular, the widely used GW approximation, often fail to describe satellite spectra. Instead, approaches based on a picture of electron-boson coupling such as the cumulant expansion are promising for the description of plasmon satellites. In this work, we give a unified derivation of the GW approximation and the cumulant expansion for the one-body Green’s function. Using the example of bulk sodium, we compare the resulting spectral functions both in the valence and in the core region, and we discuss the dispersion of quasi-particles and satellites. We show that self-consistency is crucial to obtain meaningful results, in particular, at large binding energies. Very good agreement with experiment is obtained when the intrinsic spectral function is corrected for extrinsic and interference effects. Finally, we sketch how one can approach the problem in the case of the two-body Green’s function, and we discuss the cancellation of various dynamical effects that occur in that case.

  13. Dynamical effects in electron spectroscopy

    International Nuclear Information System (INIS)

    Zhou, Jianqiang Sky; Reshetnyak, Igor; Giorgetti, Christine; Sottile, Francesco; Reining, Lucia; Kas, J. J.; Rehr, J. J.; Sponza, Lorenzo; Guzzo, Matteo; Gatti, Matteo

    2015-01-01

    One of the big challenges of theoretical condensed-matter physics is the description, understanding, and prediction of the effects of the Coulomb interaction on materials properties. In electronic spectra, the Coulomb interaction causes a renormalization of energies and change of spectral weight. Most importantly, it can lead to new structures, often called satellites. These can be linked to the coupling of excitations, also termed dynamical effects. State-of-the-art methods in the framework of many-body perturbation theory, in particular, the widely used GW approximation, often fail to describe satellite spectra. Instead, approaches based on a picture of electron-boson coupling such as the cumulant expansion are promising for the description of plasmon satellites. In this work, we give a unified derivation of the GW approximation and the cumulant expansion for the one-body Green’s function. Using the example of bulk sodium, we compare the resulting spectral functions both in the valence and in the core region, and we discuss the dispersion of quasi-particles and satellites. We show that self-consistency is crucial to obtain meaningful results, in particular, at large binding energies. Very good agreement with experiment is obtained when the intrinsic spectral function is corrected for extrinsic and interference effects. Finally, we sketch how one can approach the problem in the case of the two-body Green’s function, and we discuss the cancellation of various dynamical effects that occur in that case

  14. 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 ...

  15. Nonlinear soil parameter effects on dynamic embedment of offshore pipeline on soft clay

    Directory of Open Access Journals (Sweden)

    Su Young Yu

    2015-03-01

    Full Text Available In this paper, the effects of nonlinear soft clay on dynamic embedment of offshore pipeline were investigated. Seabed embedment by pipe-soil interactions has impacts on the structural boundary conditions for various subsea structures such as pipeline, riser, pile, and many other systems. A number of studies have been performed to estimate real soil behavior, but their estimation of seabed embedment has not been fully identified and there are still many uncertainties. In this regards, comparison of embedment between field survey and existing empirical models has been performed to identify uncertainties and investigate the effect of nonlinear soil parameter on dynamic embedment. From the comparison, it is found that the dynamic embedment with installation effects based on nonlinear soil model have an influence on seabed embedment. Therefore, the pipe embedment under dynamic condition by nonlinear para- meters of soil models was investigated by Dynamic Embedment Factor (DEF concept, which is defined as the ratio of the dynamic and static embedment of pipeline, in order to overcome the gap between field embedment and currently used empirical and numerical formula. Although DEF through various researches is suggested, its range is too wide and it does not consider dynamic laying effect. It is difficult to find critical parameters that are affecting to the embedment result. Therefore, the study on dynamic embedment factor by soft clay parameters of nonlinear soil model was conducted and the sensitivity analyses about parameters of nonlinear soil model were performed as well. The tendency on dynamic embedment factor was found by conducting numerical analyses using OrcaFlex software. It is found that DEF was influenced by shear strength gradient than other factors. The obtained results will be useful to understand the pipe embedment on soft clay seabed for applying offshore pipeline designs such as on-bottom stability and free span analyses.

  16. Chemical structure and dynamics. Annual report 1994

    Energy Technology Data Exchange (ETDEWEB)

    Colson, S.D.

    1995-07-01

    The Chemical Structure and Dynamics program was organized as a major component of Pacific Northwest Laboratory`s Environmental and Molecular Sciences Laboratory (EMSL), a state-of-the-art collaborative facility for studies of chemical structure and dynamics. Our program responds to the need for a fundamental, molecular-level understanding of chemistry at the 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, and (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. This research effort was initiated in 1989 and will continue to evolve over the next few years into a program of rigorous studies of fundamental molecular processes in model systems, such as well-characterized surfaces, single-component solutions, clusters, and biological molecules; and studies of complex systems found in the environment (multispecies, multiphase solutions; solid/liquid, liquid/liquid, and gas/surface interfaces; colloidal dispersions; ultrafine aerosols; and functioning biological systems). The success of this program will result in the achievement of a quantitative understanding of chemical reactions at interfaces, and more generally in condensed media, that is comparable to that currently available for gas-phase reactions. This understanding will form the basis for the development of a priori theories for predictions of macroscopic chemical behavior in condensed and heterogeneous media, adding significantly to the value of field-scale environmental models, the prediction of short- and long-term nuclear waste storage stabilities, and other problems related to the primary missions of the DOE.

  17. Change in the structures, dynamics and disease-related mortality rates of the population of Qatari nationals: 2007–2011

    OpenAIRE

    Mohamed H. Al-Thani; Eman Sadoun; Al-Anoud Al-Thani; Shamseldin A. Khalifa; Suzan Sayegh; Alaa Badawi

    2014-01-01

    Background: Developing effective public health policies and strategies for interventions necessitates an assessment of the structure, dynamics, disease rates and causes of death in a population. Lately, Qatar has undertaken development resurgence in health and economy that resulted in improving the standard of health services and health status of the entire Qatari population (i.e., Qatari nationals and non-Qatari residents). No study has attempted to evaluate the population structure/dynamics...

  18. Relating Topological Determinants of Complex Networks to Their Spectral Properties: Structural and Dynamical Effects

    Science.gov (United States)

    Castellano, Claudio; Pastor-Satorras, Romualdo

    2017-10-01

    The largest eigenvalue of a network's adjacency matrix and its associated principal eigenvector are key elements for determining the topological structure and the properties of dynamical processes mediated by it. We present a physically grounded expression relating the value of the largest eigenvalue of a given network to the largest eigenvalue of two network subgraphs, considered as isolated: the hub with its immediate neighbors and the densely connected set of nodes with maximum K -core index. We validate this formula by showing that it predicts, with good accuracy, the largest eigenvalue of a large set of synthetic and real-world topologies. We also present evidence of the consequences of these findings for broad classes of dynamics taking place on the networks. As a by-product, we reveal that the spectral properties of heterogeneous networks built according to the linear preferential attachment model are qualitatively different from those of their static counterparts.

  19. 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.

  20. Effect of Soil-Structure Interaction on Seismic Performance of Long-Span Bridge Tested by Dynamic Substructuring Method

    Directory of Open Access Journals (Sweden)

    Zhenyun Tang

    2017-01-01

    Full Text Available Because of the limitations of testing facilities and techniques, the seismic performance of soil-structure interaction (SSI system can only be tested in a quite small scale model in laboratory. Especially for long-span bridge, a smaller tested model is required when SSI phenomenon is considered in the physical test. The scale effect resulting from the small scale model is always coupled with the dynamic performance, so that the seismic performance of bridge considering SSI effect cannot be uncovered accurately by the traditional testing method. This paper presented the implementation of real-time dynamic substructuring (RTDS, involving the combined use of shake table array and computational engines for the seismic simulation of SSI. In RTDS system, the bridge with soil-foundation system is divided into physical and numerical substructures, in which the bridge is seen as physical substructures and the remaining part is seen as numerical substructures. The interface response between the physical and numerical substructures is imposed by shake table and resulting reaction force is fed back to the computational engine. The unique aspect of the method is to simulate the SSI systems subjected to multisupport excitation in terms of a larger physical model. The substructuring strategy and the control performance associated with the real-time substructuring testing for SSI were performed. And the influence of SSI on a long-span bridge was tested by this novel testing method.

  1. Analysing Structure Dynamics in Arable Soils using X-ray Micro-Tomography

    Science.gov (United States)

    Schlüter, S.; Weller, U.; Vogel, H.-J.

    2009-04-01

    spring to summer. Both plots were compacted by a rolling machine in late winter. So the difference in structure dynamics is interpreted as an enhanced structure resiliency in the fertilised and carbon enriched plot after that compaction. A comparison with porosity features of a nearby reference profil under grassland demonstrates that the impact of tillage on pore structure is higher than the different contents in organic carbon. The carbon enriched horizon beneath the ploughed layer (Ah-horizon) shows no differences in pore size distribution and connectivity as a function of fertilisation. Thus, at that soil depth, no long-term effects of fertilization in terms of soil structure are detectable. Obviously, the highly different energy input during 106 years only affects the structure of the top soil.

  2. The effect of pure state structure on nonequilibrium dynamics

    International Nuclear Information System (INIS)

    Newman, C M; Stein, D L

    2008-01-01

    Motivated by short-range Ising spin glasses, we review some rigorous results and their consequences for the relation between the number/nature of equilibrium pure states and nonequilibrium dynamics. Two of the consequences for spin glass dynamics following an instantaneous deep quench to a temperature with broken spin flip symmetry are: (1) almost all initial configurations lie on the boundary between the basins of attraction of multiple pure states; (2) unless there are uncountably many pure states with almost all pairs having zero overlap, there can be no equilibration to a pure state as time t → ∞. We discuss the relevance of these results to the difficulty of equilibration of spin glasses. We also review some results concerning the 'nature versus nurture' problem of whether the large-t behavior of both ferromagnets and spin glasses following a deep quench is determined more by the initial configuration (nature) or by the dynamics realization (nurture)

  3. 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.

  4. 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.

  5. Probing the structural and dynamical properties of liquid water with models including non-local electron correlation

    International Nuclear Information System (INIS)

    Del Ben, Mauro; Hutter, Jürg; VandeVondele, Joost

    2015-01-01

    Water is a ubiquitous liquid that displays a wide range of anomalous properties and has a delicate structure that challenges experiment and simulation alike. The various intermolecular interactions that play an important role, such as repulsion, polarization, hydrogen bonding, and van der Waals interactions, are often difficult to reproduce faithfully in atomistic models. Here, electronic structure theories including all these interactions at equal footing, which requires the inclusion of non-local electron correlation, are used to describe structure and dynamics of bulk liquid water. Isobaric-isothermal (NpT) ensemble simulations based on the Random Phase Approximation (RPA) yield excellent density (0.994 g/ml) and fair radial distribution functions, while various other density functional approximations produce scattered results (0.8-1.2 g/ml). Molecular dynamics simulation in the microcanonical (NVE) ensemble based on Møller-Plesset perturbation theory (MP2) yields dynamical properties in the condensed phase, namely, the infrared spectrum and diffusion constant. At the MP2 and RPA levels of theory, ice is correctly predicted to float on water, resolving one of the anomalies as resulting from a delicate balance between van der Waals and hydrogen bonding interactions. For several properties, obtaining quantitative agreement with experiment requires correction for nuclear quantum effects (NQEs), highlighting their importance, for structure, dynamics, and electronic properties. A computed NQE shift of 0.6 eV for the band gap and absorption spectrum illustrates the latter. Giving access to both structure and dynamics of condensed phase systems, non-local electron correlation will increasingly be used to study systems where weak interactions are of paramount importance

  6. INCREASING RETURNS TO SCALE, DYNAMICS OF INDUSTRIAL STRUCTURE AND SIZE DISTRIBUTION OF FIRMS

    Institute of Scientific and Technical Information of China (English)

    Ying FAN; Menghui LI; Zengru DI

    2006-01-01

    A multi-agent model is presented to discuss the market dynamics and the size distribution of firms.The model emphasizes the effects of increasing returns to scale and gives the description of the born and death of adaptive producers. The evolution of market structure and its behavior under the technological shocks are investigated. Its dynamical results are in good agreement with some empirical "stylized facts" of industrial evolution. With the diversity of demand and adaptive growth strategies of firms, the firm size in the generalized model obeys the power-law distribution. Three factors mainly determine the competitive dynamics and the skewed size distributions of firms: 1. Self-reinforcing mechanism; 2. Adaptive firm growing strategies; 3. Demand diversity or widespread heterogeneity in the technological capabilities of firms.

  7. 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

  8. 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.

  9. 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...

  10. 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.

  11. 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

  12. 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.

  13. 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

  14. Structural predictions for Correlated Electron Materials Using the Functional Dynamical Mean Field Theory Approach

    Science.gov (United States)

    Haule, Kristjan

    2018-04-01

    The Dynamical Mean Field Theory (DMFT) in combination with the band structure methods has been able to address reach physics of correlated materials, such as the fluctuating local moments, spin and orbital fluctuations, atomic multiplet physics and band formation on equal footing. Recently it is getting increasingly recognized that more predictive ab-initio theory of correlated systems needs to also address the feedback effect of the correlated electronic structure on the ionic positions, as the metal-insulator transition is almost always accompanied with considerable structural distortions. We will review recently developed extension of merger between the Density Functional Theory (DFT) and DMFT method, dubbed DFT+ embedded DMFT (DFT+eDMFT), whichsuccessfully addresses this challenge. It is based on the stationary Luttinger-Ward functional to minimize the numerical error, it subtracts the exact double-counting of DFT and DMFT, and implements self-consistent forces on all atoms in the unit cell. In a few examples, we will also show how the method elucidated the important feedback effect of correlations on crystal structure in rare earth nickelates to explain the mechanism of the metal-insulator transition. The method showed that such feedback effect is also essential to understand the dynamic stability of the high-temperature body-centered cubic phase of elemental iron, and in particular it predicted strong enhancement of the electron-phonon coupling over DFT values in FeSe, which was very recently verified by pioneering time-domain experiment.

  15. Cationic Dimyristoylphosphatidylcholine and Dioleoyloxytrimethylammonium Propane Lipid Bilayers: Atomistic Insight for Structure and Dynamics

    DEFF Research Database (Denmark)

    Zhao, W.; Gurtovenko, A. A.; Vattulainen, I.

    2012-01-01

    We performed atomistic molecular dynamics simulations of lipid bilayers consisting of a mixture of cationic dioleoyloxytrimethylammonium propane (DOTAP) and zwitterionic dimyristoylphosphatidylcholine (DMPC) lipids at different DOTAP fractions. Our primary focus was the specific effects...... of unsaturated lipid chains on structural and dynamic properties of mixed cationic bilayers. The bilayer area, as well as the ordering of lipid tails, shows a pronounced nonmonotonic behavior when TAP lipid fraction increases. The minimum in area (maximum in ordering) was observed for a bilayer with TAP fraction...... lipids, which were found to form PC-PC and PC-TAP pairs, and the formation of lipid clusters....

  16. INVESTIGATION OF DYNAMIC CHARACTERISTICS OF ELEMENTS OF AUTOMATICS OF A SMART HOUSE IN PARAMETRICAL STRUCTURAL SCHEMES

    Directory of Open Access Journals (Sweden)

    Petrova Irina Yur’evna

    2018-01-01

    Full Text Available Subject: automation of calculation of dynamic characteristics of the device being designed in the system of conceptual design of sensor equipment, structurally-parametric models of dynamic processes and algorithms for the automated calculation of the qualitative characteristics of elements of the information-measuring and control systems (IMCS. The stage of conceptual design most fully determines the operational characteristics of technical systems. However, none of the information support systems of this stage provides an opportunity to evaluate the performance characteristics of the element being designed taking into account its dynamic characteristics. Research objectives: increasing the effectiveness of the evaluation of dynamic characteristics of sensitive elements of the information-measuring and control systems of a smart house. Materials and methods: when solving the problems posed, the mathematical apparatus of system modeling was used (in particular, the energy-information method of modeling processes of various physical nature that occur in the sensor equipment; the main provisions of the theory of automatic control, the theory of constructing computer-aided design systems, the theory of operational calculus; basics of conceptual design of elements of the information-measuring and control systems. Results: we compared the known automated systems for conceptual design of sensors, highlighted their advantages and disadvantages and we showed that none of these systems allows us to investigate dynamic characteristics of the element being designed in a simple and understandable for engineer form. The authors proposed using energy-information method of modeling for the synthesis of operation principles of sensors and analysis of their dynamic characteristics. We considered elementary dynamic chains and issues of synthesis of parametrical structural schemes that reflect the dynamics of the process with the use of mathematical apparatus of

  17. Measurement of the structure functions F2 and xF3 and comparison with QCD predictions including kinematical and dynamical higher twist effects

    International Nuclear Information System (INIS)

    Varvell, K.; Wells, J.; Sansum, R.A.; Bullock, F.W.; Fitch, P.J.; Armenise, N.; Calicchio, M.; Erriquez, O.; Natali, S.; Nuzzo, S.; Ruggieri, F.; Baton, J.P.; Gerbier, G.; Kasper, P.; Kochowski, C.; Neveu, M.; Brisson, V.; Petiau, P.; Vallee, C.; Clayton, E.F.; Iaselli, G.; Mobayyen, M.M.; Petrides, A.; Jones, G.T.; Middleton, R.P.; O'Neale, S.W.; Mermikides, M.; Simopoulou, E.; Vayaki, A.

    1987-01-01

    The isoscalar nucleon structure functions F 2 (x,Q 2 ) and xF 3 (x,Q 2 ) are measured in the range 0 2 2 , 1.7 2 2 , x 2 values, it is found that a low Λsub(anti Manti S) value in the neighbourhood of 100 MeV describes the data adequately and that the contribution of dynamical higher twist effects is small and negative. (orig.)

  18. Revealing time bunching effect in single-molecule enzyme conformational dynamics.

    Science.gov (United States)

    Lu, H Peter

    2011-04-21

    In this perspective, we focus our discussion on how the single-molecule spectroscopy and statistical analysis are able to reveal enzyme hidden properties, taking the study of T4 lysozyme as an example. Protein conformational fluctuations and dynamics play a crucial role in biomolecular functions, such as in enzymatic reactions. Single-molecule spectroscopy is a powerful approach to analyze protein conformational dynamics under physiological conditions, providing dynamic perspectives on a molecular-level understanding of protein structure-function mechanisms. Using single-molecule fluorescence spectroscopy, we have probed T4 lysozyme conformational motions under the hydrolysis reaction of a polysaccharide of E. coli B cell walls by monitoring the fluorescence resonant energy transfer (FRET) between a donor-acceptor probe pair tethered to T4 lysozyme domains involving open-close hinge-bending motions. Based on the single-molecule spectroscopic results, molecular dynamics simulation, a random walk model analysis, and a novel 2D statistical correlation analysis, we have revealed a time bunching effect in protein conformational motion dynamics that is critical to enzymatic functions. Bunching effect implies that conformational motion times tend to bunch in a finite and narrow time window. We show that convoluted multiple Poisson rate processes give rise to the bunching effect in the enzymatic reaction dynamics. Evidently, the bunching effect is likely common in protein conformational dynamics involving in conformation-gated protein functions. In this perspective, we will also discuss a new approach of 2D regional correlation analysis capable of analyzing fluctuation dynamics of complex multiple correlated and anti-correlated fluctuations under a non-correlated noise background. Using this new method, we are able to map out any defined segments along the fluctuation trajectories and determine whether they are correlated, anti-correlated, or non-correlated; after which, a

  19. 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.)

  20. 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.

  1. 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.

  2. Structural damping values as a function of dynamic response stress and deformation levels

    International Nuclear Information System (INIS)

    Stevenson, J.D.

    1980-01-01

    Damping as it is normally defined is the means by which the response motion of a structural system is reduced as the result of energy losses. However, as used in the context of nuclear plant design, the effects of changes in structural stiffness, geometry, support configuration, and modulus of elasticity are also usually lumped under the general heading of damping in current design methods. For convenience in structural design, damping in usually assumed as viscous in nature and in recognition of its use in modal response spectrum dynamic analysis is normally expressed as a percent of critical. In general, it should be understood that damping as used in design or analysis of nuclear plants is an experimentally determined factor which is used to make the results of linear elasticity analysis of dynamic systems agree reasonably well with observed experimental results. In this paper, damping data existing in the open literature applicable to nuclear power plant structures and equipment is summarized and statistically analyzed. Results of this analysis are used to develop damping trend curves which predict applicable damping values to be used in design at various levels of stress or deformation. (orig.)

  3. A combined multibody and finite element approach for dynamic interaction analysis of high-speed train and railway structure including post-derailment behavior during an earthquake

    International Nuclear Information System (INIS)

    Tanabe, M; Wakui, H; Sogabe, M; Matsumoto, N; Tanabe, Y

    2010-01-01

    A combined multibody and finite element approach is given to solve the dynamic interaction of a Shinkansen train (high-speed train in Japan) and the railway structure including post-derailment during an earthquake effectively. The motion of the train is expressed in multibody dynamics. Efficient mechanical models to express interactions between wheel and track structure including post-derailment are given. Rail and track elements expressed in multibody dynamics and FEM are given to solve contact problems between wheel and long railway components effectively. The motion of a railway structure is modeled with various finite elements and rail and track elements. The computer program has been developed for the dynamic interaction analysis of a Shinkansen train and railway structure including post derailment during an earthquake. Numerical examples are demonstrated.

  4. A dynamic organic soil biogeochemical model for simulating the effects of wildfire on soil environmental conditions and carbon dynamics of black spruce forests

    Science.gov (United States)

    Shuhua Yi; A. David McGuire; Eric Kasischke; Jennifer Harden; Kristen Manies; Michelle Mack; Merritt. Turetsky

    2010-01-01

    Ecosystem models have not comprehensively considered how interactions among fire disturbance, soil environmental conditions, and biogeochemical processes affect ecosystem dynamics in boreal forest ecosystems. In this study, we implemented a dynamic organic soil structure in the Terrestrial Ecosystem Model (DOS-TEM) to investigate the effects of fire on soil temperature...

  5. Molecular-dynamics simulations of crosslinking and confinement effects on structure, segmental mobility and mechanics of filled elastomers

    Science.gov (United States)

    Davris, Theodoros; Lyulin, Alexey V.

    2016-05-01

    The significant drop of the storage modulus under uniaxial deformation (Payne effect) restrains the performance of the elastomer-based composites and the development of possible new applications. In this paper molecular-dynamics (MD) computer simulations using LAMMPS MD package have been performed to study the mechanical properties of a coarse-grained model of this family of nanocomposite materials. Our goal is to provide simulational insights into the viscoelastic properties of filled elastomers, and try to connect the macroscopic mechanics with composite microstructure, the strength of the polymer-filler interactions and the polymer mobility at different scales. To this end we simulate random copolymer films capped between two infinite solid (filler aggregate) walls. We systematically vary the strength of the polymer-substrate adhesion interactions, degree of polymer confinement (film thickness), polymer crosslinking density, and study their influence on the equilibrium and non-equilibrium structure, segmental dynamics, and the mechanical properties of the simulated systems. The glass-transition temperature increases once the mesh size became smaller than the chain radius of gyration; otherwise it remained invariant to mesh-size variations. This increase in the glass-transition temperature was accompanied by a monotonic slowing-down of segmental dynamics on all studied length scales. This observation is attributed to the correspondingly decreased width of the bulk density layer that was obtained in films whose thickness was larger than the end-to-end distance of the bulk polymer chains. To test this hypothesis additional simulations were performed in which the crystalline walls were replaced with amorphous or rough walls.

  6. Computational and experimental studies of microvascular void features for passive-adaptation of structural panel dynamic properties

    Science.gov (United States)

    Sears, Nicholas C.; Harne, Ryan L.

    2018-01-01

    The performance, integrity, and safety of built-up structural systems are critical to their effective employment in diverse engineering applications. In conflict with these goals, harmonic or random excitations of structural panels may promote large amplitude oscillations that are particularly harmful when excitation energies are concentrated around natural frequencies. This contributes to fatigue concerns, performance degradation, and failure. While studies have considered active or passive damping treatments that adapt material characteristics and configurations for structural control, it remains to be understood how vibration properties of structural panels may be tailored via internal material transitions. Motivated to fill this knowledge gap, this research explores an idea of adapting the static and dynamic material distribution of panels through embedded microvascular channels and strategically placed voids that permit the internal movement of fluids within the panels for structural dynamic control. Finite element model and experimental investigations probe how redistributing material in the form of microscale voids influences the global vibration modes and natural frequencies of structural panels. Through parameter studies, the relationships among void shape, number, size, and location are quantified towards their contribution to the changing structural dynamics. For the panel composition and boundary conditions considered in this report, the findings reveal that transferring material between strategically placed voids may result in eigenfrequency changes as great as 10.0, 5.0, and 7.4% for the first, second, and third modes, respectively.

  7. Cosolvent effect on the dynamics of water in aqueous binary mixtures

    Science.gov (United States)

    Zhang, Xia; Zhang, Lu; Jin, Tan; Zhang, Qiang; Zhuang, Wei

    2018-04-01

    Water rotational dynamics in the mixtures of water and amphiphilic molecules, such as acetone and dimethyl sulfoxide (DMSO), measured by femtosecond infrared, often vary non-monotonically as the amphiphilic molecule's molar fraction changes from 0 to 1. Recent study has attributed the non-ideal water rotation with concentration in DMSO-water mixtures to different microscopic hydrophilic-hydrophobic segregation structure in water-rich and water-poor mixtures. Interestingly, the acetone molecule has very similar molecular structure to DMSO, but the extremum of the water rotational time in the DMSO-water mixtures significantly shifts to lower concentration and the rotation of water is much faster than those in acetone-water mixtures. The simulation results here shows that the non-ideal rotational dynamics of water in both mixtures are due to the frame rotation during the interval of hydrogen bond (HB) switchings. A turnover of the frame rotation with concentration takes place as the structure transition of mixture from the hydrogen bond percolation structure to the hydrophobic percolation structure. The weak acetone-water hydrogen bond strengthens the hydrophobic aggregation and accelerates the relaxation of the hydrogen bond, so that the structure transition takes places at lower concentration and the rotation of water is faster in acetone-water mixture than in DMSO-water mixture. A generally microscopic picture on the mixing effect on the water dynamics in binary aqueous mixtures is presented here.

  8. 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

  9. Molecular dynamics simulations of the structure and single-particle dynamics of mixtures of divalent salts and ionic liquids

    Energy Technology Data Exchange (ETDEWEB)

    Gómez-González, Víctor; Docampo-Álvarez, Borja; Gallego, Luis J.; Varela, Luis M., E-mail: luismiguel.varela@usc.es [Grupo de Nanomateriais e Materia Branda, Departamento de Física da Materia Condensada, Universidade de Santiago de Compostela, Campus Vida s/n, E-15782 Santiago de Compostela (Spain); Cabeza, Oscar [Facultade de Ciencias, Universidade da Coruña, Campus A Zapateira s/n, E-15008 A Coruña (Spain); Fedorov, Maxim [Department of Physics, Scottish University Physics Alliance (SUPA), University of Strathclyde, John Anderson Bldg., 107 Rottenrow East, Glasgow G4 0NG (United Kingdom); Lynden-Bell, Ruth M. [Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge CB2 1EW (United Kingdom)

    2015-09-28

    We report a molecular dynamics study of the structure and single-particle dynamics of mixtures of a protic (ethylammonium nitrate) and an aprotic (1-butyl-3-methylimidazolium hexaflurophosphate [BMIM][PF{sub 6}]) room-temperature ionic liquids doped with magnesium and calcium salts with a common anion at 298.15 K and 1 atm. The solvation of these divalent cations in dense ionic environments is analyzed by means of apparent molar volumes of the mixtures, radial distribution functions, and coordination numbers. For the protic mixtures, the effect of salt concentration on the network of hydrogen bonds is also considered. Moreover, single-particle dynamics of the salt cations is studied by means of their velocity autocorrelation functions and vibrational densities of states, explicitly analyzing the influence of salt concentration, and cation charge and mass on these magnitudes. The effect of the valency of the salt cation on these properties is considered comparing the results with those for the corresponding mixtures with lithium salts. We found that the main structural and dynamic features of the local solvation of divalent cations in ionic liquids are similar to those of monovalent salts, with cations being localized in the polar nanoregions of the bulk mixture coordinated in monodentate and bidentate coordination modes by the [NO{sub 3}]{sup −} and [PF{sub 6}]{sup −} anions. However, stronger electrostatic correlations of these polar nanoregions than in mixtures with salts with monovalent cations are found. The vibrational modes of the ionic liquid (IL) are seen to be scarcely affected by the addition of the salt, and the effect of mass and charge on the vibrational densities of states of the dissolved cations is reported. Cation mass is seen to exert a deeper influence than charge on the low-frequency vibrational spectra, giving a red shift of the vibrational modes and a virtual suppression of the higher energy vibrational modes for the heavier Ca{sup 2

  10. Molecular dynamics simulations of the structure and single-particle dynamics of mixtures of divalent salts and ionic liquids

    International Nuclear Information System (INIS)

    Gómez-González, Víctor; Docampo-Álvarez, Borja; Gallego, Luis J.; Varela, Luis M.; Cabeza, Oscar; Fedorov, Maxim; Lynden-Bell, Ruth M.

    2015-01-01

    We report a molecular dynamics study of the structure and single-particle dynamics of mixtures of a protic (ethylammonium nitrate) and an aprotic (1-butyl-3-methylimidazolium hexaflurophosphate [BMIM][PF 6 ]) room-temperature ionic liquids doped with magnesium and calcium salts with a common anion at 298.15 K and 1 atm. The solvation of these divalent cations in dense ionic environments is analyzed by means of apparent molar volumes of the mixtures, radial distribution functions, and coordination numbers. For the protic mixtures, the effect of salt concentration on the network of hydrogen bonds is also considered. Moreover, single-particle dynamics of the salt cations is studied by means of their velocity autocorrelation functions and vibrational densities of states, explicitly analyzing the influence of salt concentration, and cation charge and mass on these magnitudes. The effect of the valency of the salt cation on these properties is considered comparing the results with those for the corresponding mixtures with lithium salts. We found that the main structural and dynamic features of the local solvation of divalent cations in ionic liquids are similar to those of monovalent salts, with cations being localized in the polar nanoregions of the bulk mixture coordinated in monodentate and bidentate coordination modes by the [NO 3 ] − and [PF 6 ] − anions. However, stronger electrostatic correlations of these polar nanoregions than in mixtures with salts with monovalent cations are found. The vibrational modes of the ionic liquid (IL) are seen to be scarcely affected by the addition of the salt, and the effect of mass and charge on the vibrational densities of states of the dissolved cations is reported. Cation mass is seen to exert a deeper influence than charge on the low-frequency vibrational spectra, giving a red shift of the vibrational modes and a virtual suppression of the higher energy vibrational modes for the heavier Ca 2+ cations. No qualitative

  11. 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...

  12. Solving Component Structural Dynamic Failures Due to Extremely High Frequency Structural Response on the Space Shuttle Program

    Science.gov (United States)

    Frady, Greg; Nesman, Thomas; Zoladz, Thomas; Szabo, Roland

    2010-01-01

    For many years, the capabilities to determine the root-cause failure of component failures have been limited to the analytical tools and the state of the art data acquisition systems. With this limited capability, many anomalies have been resolved by adding material to the design to increase robustness without the ability to determine if the design solution was satisfactory until after a series of expensive test programs were complete. The risk of failure and multiple design, test, and redesign cycles were high. During the Space Shuttle Program, many crack investigations in high energy density turbomachines, like the SSME turbopumps and high energy flows in the main propulsion system, have led to the discovery of numerous root-cause failures and anomalies due to the coexistences of acoustic forcing functions, structural natural modes, and a high energy excitation, such as an edge tone or shedding flow, leading the technical community to understand many of the primary contributors to extremely high frequency high cycle fatique fluid-structure interaction anomalies. These contributors have been identified using advanced analysis tools and verified using component and system tests during component ground tests, systems tests, and flight. The structural dynamics and fluid dynamics communities have developed a special sensitivity to the fluid-structure interaction problems and have been able to adjust and solve these problems in a time effective manner to meet budget and schedule deadlines of operational vehicle programs, such as the Space Shuttle Program over the years.

  13. 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.

  14. Rate Dependent Multicontinuum Progressive Failure Analysis of Woven Fabric Composite Structures under Dynamic Impact

    Directory of Open Access Journals (Sweden)

    James Lua

    2004-01-01

    Full Text Available Marine composite materials typically exhibit significant rate dependent response characteristics when subjected to extreme dynamic loading conditions. In this work, a strain-rate dependent continuum damage model is incorporated with multicontinuum technology (MCT to predict damage and failure progression for composite material structures. MCT treats the constituents of a woven fabric composite as separate but linked continua, thereby allowing a designer to extract constituent stress/strain information in a structural analysis. The MCT algorithm and material damage model are numerically implemented with the explicit finite element code LS-DYNA3D via a user-defined material model (umat. The effects of the strain-rate hardening model are demonstrated through both simple single element analyses for woven fabric composites and also structural level impact simulations of a composite panel subjected to various impact conditions. Progressive damage at the constituent level is monitored throughout the loading. The results qualitatively illustrate the value of rate dependent material models for marine composite materials under extreme dynamic loading conditions.

  15. 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

  16. 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.

  17. 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.

  18. 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.

  19. Structural and Dynamical Properties of Alkaline Earth Metal Halides in Supercritical Water: Effect of Ion Size and Concentration.

    Science.gov (United States)

    Keshri, Sonanki; Tembe, B L

    2017-11-22

    Constant temperature-constant pressure molecular dynamics simulations have been performed for aqueous alkaline earth metal chloride [M 2+ -Cl - (M = Mg, Ca, Sr, and Ba)] solutions over a wide range of concentrations (0.27-5.55 m) in supercritical (SC) and ambient conditions to investigate their structural and dynamical properties. A strong influence of the salt concentration is observed on the ion-ion pair correlation functions in both ambient and SC conditions. In SC conditions, significant clustering is observed in the 0.27 m solution, whereas the reverse situation is observed at room temperature and this is also supported by the residence times of the clusters. The concentration and ion size (cation size) seem to have opposite effects on the average number of hydrogen bonds. The simulation results show that the self-diffusion coefficients of water, cations, and the chloride ion increase with increasing temperature, whereas they decrease with increasing salt concentration. The cluster size distribution shows a strong density dependence in both ambient and SC conditions. In SC conditions, cluster sizes display a near-Gaussian distribution, whereas the distribution decays monotonically in ambient conditions.

  20. 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...

  1. 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

  2. Quantum wavepacket ab initio molecular dynamics: an approach for computing dynamically averaged vibrational spectra including critical nuclear quantum effects.

    Science.gov (United States)

    Sumner, Isaiah; Iyengar, Srinivasan S

    2007-10-18

    We have introduced a computational methodology to study vibrational spectroscopy in clusters inclusive of critical nuclear quantum effects. This approach is based on the recently developed quantum wavepacket ab initio molecular dynamics method that combines quantum wavepacket dynamics with ab initio molecular dynamics. The computational efficiency of the dynamical procedure is drastically improved (by several orders of magnitude) through the utilization of wavelet-based techniques combined with the previously introduced time-dependent deterministic sampling procedure measure to achieve stable, picosecond length, quantum-classical dynamics of electrons and nuclei in clusters. The dynamical information is employed to construct a novel cumulative flux/velocity correlation function, where the wavepacket flux from the quantized particle is combined with classical nuclear velocities to obtain the vibrational density of states. The approach is demonstrated by computing the vibrational density of states of [Cl-H-Cl]-, inclusive of critical quantum nuclear effects, and our results are in good agreement with experiment. A general hierarchical procedure is also provided, based on electronic structure harmonic frequencies, classical ab initio molecular dynamics, computation of nuclear quantum-mechanical eigenstates, and employing quantum wavepacket ab initio dynamics to understand vibrational spectroscopy in hydrogen-bonded clusters that display large degrees of anharmonicities.

  3. 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

  4. 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

  5. Universal slip dynamics in metallic glasses and granular matter - linking frictional weakening with inertial effects

    Science.gov (United States)

    Denisov, Dmitry V.; Lőrincz, Kinga A.; Wright, Wendelin J.; Hufnagel, Todd C.; Nawano, Aya; Gu, Xiaojun; Uhl, Jonathan T.; Dahmen, Karin A.; Schall, Peter

    2017-03-01

    Slowly strained solids deform via intermittent slips that exhibit a material-independent critical size distribution. Here, by comparing two disparate systems - granular materials and bulk metallic glasses - we show evidence that not only the statistics of slips but also their dynamics are remarkably similar, i.e. independent of the microscopic details of the material. By resolving and comparing the full time evolution of avalanches in bulk metallic glasses and granular materials, we uncover a regime of universal deformation dynamics. We experimentally verify the predicted universal scaling functions for the dynamics of individual avalanches in both systems, and show that both the slip statistics and dynamics are independent of the scale and details of the material structure and interactions, thus settling a long-standing debate as to whether or not the claim of universality includes only the slip statistics or also the slip dynamics. The results imply that the frictional weakening in granular materials and the interplay of damping, weakening and inertial effects in bulk metallic glasses have strikingly similar effects on the slip dynamics. These results are important for transferring experimental results across scales and material structures in a single theory of deformation dynamics.

  6. 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

  7. 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

  8. Structure and dynamics of basin forested wetlands in North America

    International Nuclear Information System (INIS)

    Brown, S.

    1990-01-01

    Freshwater basin wetlands are found in depressions of various depths, generally in areas where precipitation exceeds evapotranspiration or where the depression intersects the water table creating groundwater seeps or springs. Forested basins are those that contain woody vegetation with the potential for reaching tree stature; they do not include woody shrub wetlands. In North America these areas are mainly in the central and eastern region. Pertinent information and reviews on the distribution, floristic composition, structure and dynamics of basin forested wetlands are summarized. The major emphasis is on freshwater wetlands, but data for saltwater wetlands mainly from Florida and tropical America are included. The external factors affecting basin wetlands or the important components of a wetlands energy signature are described as well as the distribution and floristic composition of representative basin wetlands. Sections on structural characteristics, organic matter dynamics, and nutrient cycling comprise the bulk of quantitative information. The effects of disturbances, both natural and human induced, with varying degrees of impact depending upon the intensity and on the part of the ecosystem to which the stressor is applied are evaluated. Examples of stressors in basin wetlands include water impoundment, water diversion, thermal stress from hot water, sedimentation, addition of toxic substances, addition of wastewater, oil spills, and harvesting. 86 refs., 5 figs., 11 tabs

  9. Counter-rotating effects and entanglement dynamics in strongly coupled quantum-emitter-metallic-nanoparticle structures

    Science.gov (United States)

    Iliopoulos, Nikos; Thanopulos, Ioannis; Yannopapas, Vassilios; Paspalakis, Emmanuel

    2018-03-01

    We study the spontaneous emission of a two-level quantum emitter next to a plasmonic nanoparticle beyond the Markovian approximation and the rotating-wave approximation (RWA) by combining quantum dynamics and classical electromagnetic calculations. For emitters with decay times in the picosecond to nanosecond time regime, as well as located at distances from the nanoparticle up to its radius, the dynamics with and without the RWA and the transition from the non-Markovian to the Markovian regime are investigated. For emitters with longer decay times, the Markov approximation proves to be adequate for distances larger than half the nanoparticle radius. However, the RWA is correct for all distances of the emitter from the nanoparticle. For short decay time emitters, the Markov approximation and RWA are both inadequate, with only the RWA becoming valid again at a distance larger than half the nanoparticle radius. We also show that the entanglement dynamics of two initially entangled qubits interacting independently with the nanoparticle may have a strong non-Markovian character when counter-rotating effects are included. Interesting effects such as entanglement sudden death, periodic entanglement revival, entanglement oscillations, and entanglement trapping are further observed when different initial two-qubit states and different distances between the qubit and the nanoparticle are considered.

  10. 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.

  11. 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...

  12. 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...

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

    Science.gov (United States)

    Carr, J. K.; Buchanan, L. E.; Schmidt, J. R.; Zanni, M. T.; Skinner, J. L.

    2013-01-01

    Urea/water is an archetypical “biological” mixture, and is especially well known for its relevance to protein thermodynamics, as urea acts as a protein denaturant at high concentration. This behavior has given rise to an extended debate concerning urea’s influence on water structure. Based on a variety of methods and of definitions of water structure, urea has been variously described as a structure-breaker, a structure-maker, or as remarkably neutral towards water. Because of its sensitivity to microscopic structure and dynamics, vibrational spectroscopy can help resolve these debates. We report experimental and theoretical spectroscopic results for the OD stretch of HOD/H2O/urea mixtures (linear IR, 2DIR, and pump-probe anisotropy decay) and for the CO stretch of urea-D4/D2O mixtures (linear IR only). Theoretical results are obtained using existing approaches for water, and a modification of a frequency map developed for acetamide. All absorption spectra are remarkably insensitive to urea concentration, consistent with the idea that urea only very weakly perturbs water structure. Both this work and experiments by Rezus and Bakker, however, show that water’s rotational dynamics are slowed down by urea. Analysis of the simulations casts doubt on the suggestion that urea immobilizes particular doubly hydrogen bonded water molecules. PMID:23841646

  14. Simulations of the structure and dynamics of nanoparticle-based ionic liquids

    KAUST Repository

    Hong, Bingbing; Chremos, Alexandros; Panagiotopoulos, Athanassios Z.

    2012-01-01

    We use molecular dynamics simulations over microsecond time scales to study the structure and dynamics of coarse-grained models for nanoparticle-based ionic liquids. The systems of interest consist of particles with charged surface groups and linear

  15. Accuracy Enhanced Stability and Structure Preserving Model Reduction Technique for Dynamical Systems with Second Order Structure

    DEFF Research Database (Denmark)

    Tahavori, Maryamsadat; Shaker, Hamid Reza

    A method for model reduction of dynamical systems with the second order structure is proposed in this paper. The proposed technique preserves the second order structure of the system, and also preserves the stability of the original systems. The method uses the controllability and observability...... gramians within the time interval to build the appropriate Petrov-Galerkin projection for dynamical systems within the time interval of interest. The bound on approximation error is also derived. The numerical results are compared with the counterparts from other techniques. The results confirm...

  16. Habitat structure mediates biodiversity effects on ecosystem properties.

    Science.gov (United States)

    Godbold, J A; Bulling, M T; Solan, M

    2011-08-22

    Much of what we know about the role of biodiversity in mediating ecosystem processes and function stems from manipulative experiments, which have largely been performed in isolated, homogeneous environments that do not incorporate habitat structure or allow natural community dynamics to develop. Here, we use a range of habitat configurations in a model marine benthic system to investigate the effects of species composition, resource heterogeneity and patch connectivity on ecosystem properties at both the patch (bioturbation intensity) and multi-patch (nutrient concentration) scale. We show that allowing fauna to move and preferentially select patches alters local species composition and density distributions, which has negative effects on ecosystem processes (bioturbation intensity) at the patch scale, but overall positive effects on ecosystem functioning (nutrient concentration) at the multi-patch scale. Our findings provide important evidence that community dynamics alter in response to localized resource heterogeneity and that these small-scale variations in habitat structure influence species contributions to ecosystem properties at larger scales. We conclude that habitat complexity forms an important buffer against disturbance and that contemporary estimates of the level of biodiversity required for maintaining future multi-functional systems may need to be revised.

  17. Structural Dynamics of Tropical Moist Forest Gaps

    Science.gov (United States)

    Hunter, Maria O.; Keller, Michael; Morton, Douglas; Cook, Bruce; Lefsky, Michael; Ducey, Mark; Saleska, Scott; de Oliveira, Raimundo Cosme; Schietti, Juliana

    2015-01-01

    Gap phase dynamics are the dominant mode of forest turnover in tropical forests. However, gap processes are infrequently studied at the landscape scale. Airborne lidar data offer detailed information on three-dimensional forest structure, providing a means to characterize fine-scale (1 m) processes in tropical forests over large areas. Lidar-based estimates of forest structure (top down) differ from traditional field measurements (bottom up), and necessitate clear-cut definitions unencumbered by the wisdom of a field observer. We offer a new definition of a forest gap that is driven by forest dynamics and consistent with precise ranging measurements from airborne lidar data and tall, multi-layered tropical forest structure. We used 1000 ha of multi-temporal lidar data (2008, 2012) at two sites, the Tapajos National Forest and Ducke Reserve, to study gap dynamics in the Brazilian Amazon. Here, we identified dynamic gaps as contiguous areas of significant growth, that correspond to areas > 10 m2, with height gap at Tapajos National Forest (4.8 %) as compared to Ducke Reserve (2.0 %). On average, gaps were smaller at Ducke Reserve and closed slightly more rapidly, with estimated height gains of 1.2 m y-1 versus 1.1 m y-1 at Tapajos. At the Tapajos site, height growth in gap centers was greater than the average height gain in gaps (1.3 m y-1 versus 1.1 m y-1). Rates of height growth between lidar acquisitions reflect the interplay between gap edge mortality, horizontal ingrowth and gap size at the two sites. We estimated that approximately 10 % of gap area closed via horizontal ingrowth at Ducke Reserve as opposed to 6 % at Tapajos National Forest. Height loss (interpreted as repeat damage and/or mortality) and horizontal ingrowth accounted for similar proportions of gap area at Ducke Reserve (13 % and 10 %, respectively). At Tapajos, height loss had a much stronger signal (23 % versus 6 %) within gaps. Both sites demonstrate limited gap contagiousness defined by an

  18. Numerical study of self-field effects on dynamics of Josephson-junction arrays

    International Nuclear Information System (INIS)

    Phillips, J.R.; Van der Zant, H.S.J.; White, J.; Orlando, T.P.

    1994-01-01

    We consider the influence of self-induced magnetic fields on dynamic properties of arrays of resistively and capacitively shunted Josephson junctions. Self-field effects are modeled by including mutual inductance interactions between every cell in the array. We find that it is important to include all mutual inductance interactions in order to understand the dynamic properties of the array, in particular subharmonic structure arising under AC current bias. (orig.)

  19. Matrix of transmission in structural dynamics

    International Nuclear Information System (INIS)

    Mukherjee, S.

    1975-01-01

    Within the last few years numerous papers have been published on the subject of matrix method in elasto-mechanics. 'Matrix of Transmission' is one of the methods in this field which has gained considerable attention in recent years. The basic philosophy adopted in this method is based on the idea of breaking up a complicated system into component parts with simple elastic and dynamic properties which can be readily expressed in matrix form. These component matrices are considered as building blocks, which are fitted together according to a set of predetermined rules which then provide the static and dynamic properties of the entire system. A common type of system occuring in engineering practice consists of a number of elements linked together end to end in the form of a chain. The 'Transfer Matrix' is ideally suited for such a system, because only successive multiplication is necessary to connect these elements together. The number of degrees of freedom and intermediate conditions present no difficulty. Although the 'Transfer Matrix' method is suitable for the treatment of branched and coupled systems its application to systems which do not have predominant chain topology is not effective. Apart from the requirement that the system be linearely elastic, no other restrictions are made. In this paper, it is intended to give a general outline and theoretical formulation of 'Transfer Matrix' and then its application to actual problems in structural dynamics related to seismic analysis. The natural frequencies of a freely vibrating elastic system can be found by applying proper end conditions. The end conditions will yield the frequency determinate to zero. By using a suitable numerical method, the natural frequencies and mode shapes are determined by making a frequency sweep within the range of interest. Results of an analysis of a typical nuclear building by this method show very close agreement with the results obtained by using ASKA and SAP IV program. Therefore

  20. Interactive effects of warming, eutrophication and size structure: impacts on biodiversity and food-web structure.

    Science.gov (United States)

    Binzer, Amrei; Guill, Christian; Rall, Björn C; Brose, Ulrich

    2016-01-01

    Warming and eutrophication are two of the most important global change stressors for natural ecosystems, but their interaction is poorly understood. We used a dynamic model of complex, size-structured food webs to assess interactive effects on diversity and network structure. We found antagonistic impacts: Warming increases diversity in eutrophic systems and decreases it in oligotrophic systems. These effects interact with the community size structure: Communities of similarly sized species such as parasitoid-host systems are stabilized by warming and destabilized by eutrophication, whereas the diversity of size-structured predator-prey networks decreases strongly with warming, but decreases only weakly with eutrophication. Nonrandom extinction risks for generalists and specialists lead to higher connectance in networks without size structure and lower connectance in size-structured communities. Overall, our results unravel interactive impacts of warming and eutrophication and suggest that size structure may serve as an important proxy for predicting the community sensitivity to these global change stressors. © 2015 John Wiley & Sons Ltd.

  1. Cooperation guided by the coexistence of imitation dynamics and aspiration dynamics in structured populations

    Science.gov (United States)

    Xu, Kuangyi; Li, Kun; Cong, Rui; Wang, Long

    2017-02-01

    In the framework of the evolutionary game theory, two fundamentally different mechanisms, the imitation process and the aspiration-driven dynamics, can be adopted by players to update their strategies. In the former case, individuals imitate the strategy of a more successful peer, while in the latter case individuals change their strategies based on a comparison of payoffs they collect in the game to their own aspiration levels. Here we explore how cooperation evolves for the coexistence of these two dynamics. Intriguingly, cooperation reaches its lowest level when a certain moderate fraction of individuals pick aspiration-level-driven rule while the others choose pairwise comparison rule. Furthermore, when individuals can adjust their update rules besides their strategies, either imitation dynamics or aspiration-driven dynamics will finally take over the entire population, and the stationary cooperation level is determined by the outcome of competition between these two dynamics. We find that appropriate synergetic effects and moderate aspiration level boost the fixation probability of aspiration-driven dynamics most effectively. Our work may be helpful in understanding the cooperative behavior induced by the coexistence of imitation dynamics and aspiration dynamics in the society.

  2. Domain size polydispersity effects on the structural and dynamical properties in lipid monolayers with phase coexistence

    Science.gov (United States)

    Rufeil-Fiori, Elena; Banchio, Adolfo J.

    Lipid monolayers with phase coexistence are a frequently used model for lipid membranes. In these systems, domains of the liquid-condensed phase always present size polydispersity. However, very few theoretical works consider size distribution effects on the monolayer properties. Because of the difference in surface densities, domains have excess dipolar density with respect to the surrounding liquid expanded phase, originating a dipolar inter-domain interaction. This interaction depends on the domain area, and hence the presence of a domain size distribution is associated with interaction polydispersity. Inter-domain interactions are fundamental to understanding the structure and dynamics of the monolayer. For this reason, it is expected that polydispersity significantly alters monolayer properties. By means of Brownian dynamics simulations, we study the radial distribution function (RDF), the average mean square displacement and the average time-dependent self-diffusion coefficient, D(t), of lipid monolayers with normal distributed size domains. It was found that polydispersity strongly affects the value of the interaction strength obtained, which is greatly underestimated if polydispersity is not considered. However, within a certain range of parameters, the RDF obtained from a polydisperse model can be well approximated by that of a monodisperse model, suitably fitting the interaction strength, even for 40% polydispersities. For small interaction strengths or small polydispersities, the polydisperse systems obtained from fitting the experimental RDF have an average mean square displacement and D(t) in good agreement with that of the monodisperse system.

  3. Estimating spatio-temporal dynamics of size-structured populations

    DEFF Research Database (Denmark)

    Kristensen, Kasper; Thygesen, Uffe Høgsbro; Andersen, Ken Haste

    2014-01-01

    with simple stock dynamics, to estimate simultaneously how size distributions and spatial distributions develop in time. We demonstrate the method for a cod population sampled by trawl surveys. Particular attention is paid to correlation between size classes within each trawl haul due to clustering...... of individuals with similar size. The model estimates growth, mortality and reproduction, after which any aspect of size-structure, spatio-temporal population dynamics, as well as the sampling process can be probed. This is illustrated by two applications: 1) tracking the spatial movements of a single cohort...

  4. Controlling the dynamics of a self-organized structure using a rf-field

    International Nuclear Information System (INIS)

    Talasman, S.J.; Ignat, M.

    2004-01-01

    We investigate the influence of an external rf-field upon a plasma self-organized structure. We show that depending on the intensity of this field, though it is at very low values, the dynamics of the structure can be easily controlled over a wide range of the state parameters values. This could be considered as a non-feedback method of dynamics control

  5. Nonlinear dynamics of solitary and optically injected two-element laser arrays with four different waveguide structures: a numerical study.

    Science.gov (United States)

    Li, Nianqiang; Susanto, H; Cemlyn, B R; Henning, I D; Adams, M J

    2018-02-19

    We study the nonlinear dynamics of solitary and optically injected two-element laser arrays with a range of waveguide structures. The analysis is performed with a detailed direct numerical simulation, where high-resolution dynamic maps are generated to identify regions of dynamic instability in the parameter space of interest. Our combined one- and two-parameter bifurcation analysis uncovers globally diverse dynamical regimes (steady-state, oscillation, and chaos) in the solitary laser arrays, which are greatly influenced by static design waveguiding structures, the amplitude-phase coupling factor of the electric field, i.e. the linewidth-enhancement factor, as well as the control parameter, e.g. the pump rate. When external optical injection is introduced to one element of the arrays, we show that the whole system can be either injection-locked simultaneously or display rich, different dynamics outside the locking region. The effect of optical injection is to significantly modify the nature and the regions of nonlinear dynamics from those found in the solitary case. We also show similarities and differences (asymmetry) between the oscillation amplitude of the two elements of the array in specific well-defined regions, which hold for all the waveguiding structures considered. Our findings pave the way to a better understanding of dynamic instability in large arrays of lasers.

  6. Effects of system size and cooling rate on the structure and properties of sodium borosilicate glasses from molecular dynamics simulations.

    Science.gov (United States)

    Deng, Lu; Du, Jincheng

    2018-01-14

    Borosilicate glasses form an important glass forming system in both glass science and technologies. The structure and property changes of borosilicate glasses as a function of thermal history in terms of cooling rate during glass formation and simulation system sizes used in classical molecular dynamics (MD) simulation were investigated with recently developed composition dependent partial charge potentials. Short and medium range structural features such as boron coordination, Si and B Q n distributions, and ring size distributions were analyzed to elucidate the effects of cooling rate and simulation system size on these structure features and selected glass properties such as glass transition temperature, vibration density of states, and mechanical properties. Neutron structure factors, neutron broadened pair distribution functions, and vibrational density of states were calculated and compared with results from experiments as well as ab initio calculations to validate the structure models. The results clearly indicate that both cooling rate and system size play an important role on the structures of these glasses, mainly by affecting the 3 B and 4 B distributions and consequently properties of the glasses. It was also found that different structure features and properties converge at different sizes or cooling rates; thus convergence tests are needed in simulations of the borosilicate glasses depending on the targeted properties. The results also shed light on the complex thermal history dependence on structure and properties in borosilicate glasses and the protocols in MD simulations of these and other glass materials.

  7. Effects of system size and cooling rate on the structure and properties of sodium borosilicate glasses from molecular dynamics simulations

    Science.gov (United States)

    Deng, Lu; Du, Jincheng

    2018-01-01

    Borosilicate glasses form an important glass forming system in both glass science and technologies. The structure and property changes of borosilicate glasses as a function of thermal history in terms of cooling rate during glass formation and simulation system sizes used in classical molecular dynamics (MD) simulation were investigated with recently developed composition dependent partial charge potentials. Short and medium range structural features such as boron coordination, Si and B Qn distributions, and ring size distributions were analyzed to elucidate the effects of cooling rate and simulation system size on these structure features and selected glass properties such as glass transition temperature, vibration density of states, and mechanical properties. Neutron structure factors, neutron broadened pair distribution functions, and vibrational density of states were calculated and compared with results from experiments as well as ab initio calculations to validate the structure models. The results clearly indicate that both cooling rate and system size play an important role on the structures of these glasses, mainly by affecting the 3B and 4B distributions and consequently properties of the glasses. It was also found that different structure features and properties converge at different sizes or cooling rates; thus convergence tests are needed in simulations of the borosilicate glasses depending on the targeted properties. The results also shed light on the complex thermal history dependence on structure and properties in borosilicate glasses and the protocols in MD simulations of these and other glass materials.

  8. A Molecular Dynamics Study of the Structural and Dynamical Properties of Putative Arsenic Substituted Lipid Bilayers

    Directory of Open Access Journals (Sweden)

    Ratna Juwita

    2013-04-01

    Full Text Available Cell membranes are composed mainly of phospholipids which are in turn, composed of five major chemical elements: carbon, hydrogen, nitrogen, oxygen, and phosphorus. Recent studies have suggested the possibility of sustaining life if the phosphorus is substituted by arsenic. Although this issue is still controversial, it is of interest to investigate the properties of arsenated-lipid bilayers to evaluate this possibility. In this study, we simulated arsenated-lipid, 1-palmitoyl-2-oleoyl-sn-glycero-3-arsenocholine (POAC, lipid bilayers using all-atom molecular dynamics to understand basic structural and dynamical properties, in particular, the differences from analogous 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, (POPC lipid bilayers. Our simulations showed that POAC lipid bilayers have distinct structural and dynamical properties from those of native POPC lipid bilayers. Relative to POPC lipid bilayers, POAC lipid bilayers have a more compact structure with smaller lateral areas and greater order. The compact structure of POAC lipid bilayers is due to the fact that more inter-lipid salt bridges are formed with arsenate-choline compared to the phosphate-choline of POPC lipid bilayers. These inter-lipid salt bridges bind POAC lipids together and also slow down the head group rotation and lateral diffusion of POAC lipids. Thus, it would be anticipated that POAC and POPC lipid bilayers would have different biological implications.

  9. Molecular Effects of Concentrated Solutes on Protein Hydration, Dynamics, and Electrostatics.

    Science.gov (United States)

    Abriata, Luciano A; Spiga, Enrico; Peraro, Matteo Dal

    2016-08-23

    Most studies of protein structure and function are performed in dilute conditions, but proteins typically experience high solute concentrations in their physiological scenarios and biotechnological applications. High solute concentrations have well-known effects on coarse protein traits like stability, diffusion, and shape, but likely also perturb other traits through finer effects pertinent at the residue and atomic levels. Here, NMR and molecular dynamics investigations on ubiquitin disclose variable interactions with concentrated solutes that lead to localized perturbations of the protein's surface, hydration, electrostatics, and dynamics, all dependent on solute size and chemical properties. Most strikingly, small polar uncharged molecules are sticky on the protein surface, whereas charged small molecules are not, but the latter still perturb the internal protein electrostatics as they diffuse nearby. Meanwhile, interactions with macromolecular crowders are favored mainly through hydrophobic, but not through polar, surface patches. All the tested small solutes strongly slow down water exchange at the protein surface, whereas macromolecular crowders do not exert such strong perturbation. Finally, molecular dynamics simulations predict that unspecific interactions slow down microsecond- to millisecond-timescale protein dynamics despite having only mild effects on pico- to nanosecond fluctuations as corroborated by NMR. We discuss our results in the light of recent advances in understanding proteins inside living cells, focusing on the physical chemistry of quinary structure and cellular organization, and we reinforce the idea that proteins should be studied in native-like media to achieve a faithful description of their function. Copyright © 2016 Biophysical Society. Published by Elsevier Inc. All rights reserved.

  10. Structure, viscoelasticity, and interfacial dynamics of a model polymeric bicontinuous microemulsion

    Energy Technology Data Exchange (ETDEWEB)

    Hickey, Robert J.; Gillard, Timothy M.; Irwin, Matthew T.; Lodge, Timothy P.; Bates, Frank S. (UMM)

    2016-01-01

    We have systematically studied the equilibrium structure and dynamics of a polymeric bicontinuous microemulsion (BμE) composed of poly(cyclohexylethylene) (PCHE), poly(ethylene) (PE), and a volumetrically symmetric PCHE–PE diblock copolymer, using dynamic mechanical spectroscopy, small angle X-ray and neutron scattering, and transmission electron microscopy. The BμE was investigated over an 80 °C temperature range, revealing a structural evolution and a rheological response not previously recognized in such systems. As the temperature is reduced below the point associated with the lamellar-disorder transition at compositions adjacent to the microemulsion channel, the interfacial area per chain of the BμE approaches that of the neat (undiluted) lamellar diblock copolymer. With increasing temperature, the diblock-rich interface swells through homopolymer infiltration. Time–temperature-superposed linear dynamic data obtained as a function of frequency show that the viscoelastic response of the BμE is strikingly similar to that of the fluctuating pure diblock copolymer in the disordered state, which we associate with membrane undulations and the breaking and reforming of interfaces. This work provides new insights into the structure and dynamics that characterize thermodynamically stable BμEs in the limits of relatively weak and strong segregation.

  11. Dynamic vortex dust structures in a nuclear-track plasma

    International Nuclear Information System (INIS)

    Rykov, V A; Khudyakov, A V; Filinov, V S; Vladimirov, V I; Deputatova, L V; Krutov, D V; Fortov, V E

    2003-01-01

    Results are presented from Monte Carlo calculations of the electric charge on dust grains in a plasma produced during the slowing down of radioactive decay products of californium nuclei in neon. The dust grain charging is explained as being due to the drift of electrons and ions in an external electric field. It is shown that the charges of the grains depend on their coordinates and strongly fluctuate with time. The time-averaged grain charges agree with the experimental data obtained on ordered liquid-like dust structures in a nuclear-track plasma. The time-averaged dust grain charges are used to carry out computer modelling of the formation of dynamic vortex structures observed in experiments. Evidence is obtained for the fact that the electrostatic forces experienced by the dust grains are potential in character. The paper is supplemented by a video clip showing the typical dynamics of the simulated vortex dust structure

  12. Electronic structure and molecular dynamics of Na2Li

    Science.gov (United States)

    Malcolm, Nathaniel O. J.; McDouall, Joseph J. W.

    Following the first report (Mile, B., Sillman, P. D., Yacob, A. R. and Howard, J. A., 1996, J. chem. Soc. Dalton Trans , 653) of the EPR spectrum of the mixed alkali-metal trimer Na2Li a detailed study has been made of the electronic structure and structural dynamics of this species. Two isomeric forms have been found: one of the type, Na-Li-Na, of C , symmetry and another, Li-Na-Na, of C symmetry. Also, there are two linear saddle points which correspond to 'inversion' transition structures, and a saddle point of C symmetry which connects the two minima. A molecular dynamics investigation of these species shows that, at the temperature of the reported experiments (170 K), the C minimum is not 'static', but undergoes quite rapid inversion. At higher temperatures the C minimum converts to the C form, but by a mechanism very different from that suggested by minimum energy path considerations. 2 2v s s 2v 2v s

  13. The effect of classical and quantum dynamics on vibrational frequency shifts of H2 in clathrate hydrates

    International Nuclear Information System (INIS)

    Plattner, Nuria; Meuwly, Markus

    2014-01-01

    Vibrational frequency shifts of H 2 in clathrate hydrates are important to understand the properties and elucidate details of the clathrate structure. Experimental spectra of H 2 in clathrate hydrates have been measured for different clathrate compositions, temperatures, and pressures. In order to establish reliable relationships between the clathrate structure, dynamics, and observed frequencies, calculations of vibrational frequency shifts in different clathrate environments are required. In this study, a combination of classical molecular dynamics simulations, electronic structure calculations, and quantum dynamical simulation is used to calculate relative vibrational frequencies of H 2 in clathrate hydrates. This approach allows us to assess dynamical effects and simulate the change of vibrational frequencies with temperature and pressure. The frequency distributions of the H 2 vibrations in the different clathrate cage types agree favorably with experiment. Also, the simulations demonstrate that H 2 in the 5 12 cage is more sensitive to the details of the environment and to quantum dynamical effects, in particular when the cage is doubly occupied. We show that for the 5 12 cage quantum effects lead to frequency increases and double occupation is unlikely. This is different for the 5 12 6 4 cages for which higher occupation numbers than one H 2 per cage are likely

  14. Proton and carbon-13 nuclear magnetic resonance studies of the effects of retinal on the dynamic structure and stability of lipid bilayer

    International Nuclear Information System (INIS)

    Inoue, Yoshio; Hanafusa, Yoshito; Toda, Masakazu; Chujo, Riichiro

    1982-01-01

    The effects of retinal and vitamin A on the dynamic structure and stability of hen egg yolk lecithin bilayers have been studied by means of carbon-13 and proton NMR spectroscopies. 13 C spin-lattice relaxation and paramagnetic ion permeability studies on lecithin bilayers indicate a marked decrease in flexibility of the lipid acyl chain and a breakdown of membrane impermeableness to ion by the intercalated all-trans- and 11-cis-retinal, whereas the effect of incorporated vitamin A on the fluidity of bilayers is small and its impermeableness to ion remains effective even in the presence of higher concentration of vitamin A. The experimental results are discussed in connection with the mechanism of the permeability change in photoreceptive disk membrane. (author)

  15. Algorithm of Dynamic Model Structural Identification of the Multivariable Plant

    Directory of Open Access Journals (Sweden)

    Л.М. Блохін

    2004-02-01

    Full Text Available  The new algorithm of dynamic model structural identification of the multivariable stabilized plant with observable and unobservable disturbances in the regular operating  modes is offered in this paper. With the help of the offered algorithm it is possible to define the “perturbed” models of dynamics not only of the plant, but also the dynamics characteristics of observable and unobservable casual disturbances taking into account the absence of correlation between themselves and control inputs with the unobservable perturbations.

  16. Dynamic soil-structure interaction analysis based on discretized Green function

    International Nuclear Information System (INIS)

    Muto, K.; Kobayashi, T.; Nakahara, M.

    1983-01-01

    In the seismic design of massive and rigid structure such as a nuclear reactor building, it is important to evaluate the dynamic interaction effect between soil and structure. The authors developed an advanced and practical method to evaluate the interaction effect between the soil which is considered to be semi-infinite elastic medium, and the structure in which flexibility is considered. In this report, this method is applied to a seismic analysis of the full size BWR Mark I type reactor building. For horizontal input earthquake, the vibrational degrees of freedom shall be considered both horizontal and vertical as the rocking response occurs because of the overturning moment caused by the building's horizontal response. The results of earthquake response analysis show that the floors deform in-place and the response acceleration at the center of the floor is larger than that of at the side wall. The response spectra also differ each other even if on the same floor because of the in-place deformation of the floor slab. It means that in analytical modeling of the reactor building, multi-stick model considering deformation of floor slab is required instead of single-stick model. The ratio of the peak acceleration response of the roof floor to the input earthquake is about 2.5. (orig./HP)

  17. Structure and dynamics of ion clusters in linear octupole traps: Phase diagrams, chirality, and melting mechanisms

    International Nuclear Information System (INIS)

    Yurtsever, E.; Onal, E. D.; Calvo, F.

    2011-01-01

    The stable structures and melting dynamics of clusters of identical ions bound by linear octupole radiofrequency traps are theoretically investigated by global optimization methods and molecular dynamics simulations. By varying the cluster sizes in the range of 10-1000 ions and the extent of trap anisotropy by more than one order of magnitude, we find a broad variety of stable structures based on multiple rings at small sizes evolving into tubular geometries at large sizes. The binding energy of these clusters is well represented by two contributions arising from isotropic linear and octupolar traps. The structures generally exhibit strong size effects, and chiral arrangements spontaneously emerge in many crystals. Sufficiently large clusters form nested, coaxial tubes with different thermal stabilities. As in isotropic octupolar clusters, the inner tubes melt at temperatures that are lower than the overall melting point.

  18. Effective mass and damping of submerged structures

    International Nuclear Information System (INIS)

    Dong, R.G.

    1979-01-01

    A number of structures important for safety in nuclear power plants are submerged in water. These include spent fuel storage racks, main pressure relief valve lines, and internal structures in the reactor vessel. Dynamic analyses of such structures must include the force and damping effects of water. A wide variety of modeling assumptions are being used in design analyses, and currently there are no uniform positions by which to judge the adequacy of the assumptions . A study was caried out to establish a technical basis for evaluating the assymptions and to recommend suitable methods to describe the effects of the water. The results of the study were based on information published in the literature or conveyed by industrial firms. A survey of 32 firms and 49 technical references was carried out. Heavy emphasis was placed on validating the results with available experimental data. The information collected apply generally to idealized structures such as single isolated members, arrays of members and coaxial cylinders. The results of the study are categorized with respect to such idealized structures, and the applicability to actual reactor structures was discussed through observations and recommendations. (orig.)

  19. Zooplankton community structure and dynamics during the transition ...

    African Journals Online (AJOL)

    This study investigates the zooplankton community structure and dynamics of Kufena Rock Pool during the transition from dry season (March to April) to rainy season (May to June) in Zaria, Nigeria. Physicochemical parameters such as temperature, hydrogen ion concentration, electrical conductivity and total dissolved ...

  20. Dynamico-FE: A Structure-Preserving Hydrostatic Dynamical Core

    Science.gov (United States)

    Eldred, Christopher; Dubos, Thomas; Kritsikis, Evaggelos

    2017-04-01

    It is well known that the inviscid, adiabatic equations of atmospheric motion constitute a non-canonical Hamiltonian system, and therefore posses many important conserved quantities such as as mass, potential vorticity and total energy. In addition, there are also key mimetic properties (such as curl grad = 0) of the underlying continuous vector calculus. Ideally, a dynamical core should have similar properties. A general approach to deriving such structure-preserving numerical schemes has been developed under the frameworks of Hamiltonian methods and mimetic discretizations, and over the past decade, there has been a great deal of work on the development of atmospheric dynamical cores using these techniques. An important example is Dynamico, which conserves mass, potential vorticity and total energy; and possesses additional mimetic properties such as a curl-free pressure gradient. Unfortunately, the underlying finite-difference discretization scheme used in Dynamico has been shown to be inconsistent on general grids. To resolve these accuracy issues, a scheme based on mimetic Galerkin discretizations has been developed that achieves higher-order accuracy while retaining the structure-preserving properties of the existing discretization. This presentation will discuss the new dynamical core, termed Dynamico-FE, and show results from a standard set of test cases on both the plane and the sphere.

  1. Team structure and regulatory focus: the impact of regulatory fit on team dynamic.

    Science.gov (United States)

    Dimotakis, Nikolaos; Davison, Robert B; Hollenbeck, John R

    2012-03-01

    We report a within-teams experiment testing the effects of fit between team structure and regulatory task demands on task performance and satisfaction through average team member positive affect and helping behaviors. We used a completely crossed repeated-observations design in which 21 teams enacted 2 tasks with different regulatory focus characteristics (prevention and promotion) in 2 organizational structures (functional and divisional), resulting in 84 observations. Results suggested that salient regulatory demands inherent in the task interacted with structure to determine objective and subjective team-level outcomes, such that functional structures were best suited to (i.e., had best fit with) tasks with a prevention regulatory focus and divisional structures were best suited to tasks with a promotion regulatory focus. This contingency finding integrates regulatory focus and structural contingency theories, and extends them to the team level with implications for models of performance, satisfaction, and team dynamics.

  2. Dynamic impact of the structure of the supply chain of perishable foods on logistics performance and food security

    Energy Technology Data Exchange (ETDEWEB)

    Castro, Javier Arturo Orjuela; Jaimes, Wilson Adarme

    2017-07-01

    Understanding how the structure affects logistical performance and food security is critical in the supply chains of perishable foods (PFSC). This research proposes a system dynamics model to analyze the effects of structures: lean, agile, flexible, responsive and resilient, in the overall performance and of each agent of the PFSC. Design/methodology/approach: Using a system dynamics model and design of experiments it is studied how the different structures and their combination, affect the behavior of inventory, transportation, responsiveness, efficiency, availability and quality-safety of the fresh fruits supply chain and each echelon. Findings: The studies of supply chains have been done for each structure in an independent way; investigations are scarce in supply chains of perishable foods. The structures modeled in this research do not show the better performance in all the metrics of the chain, neither in all agents for each structure. The above implies the presence of trade-offs. Research limitations/implications: The results show the need to investigate mixed structures with the FPSC´s own characteristics; the model can be applied in other supply chains of perishable foods. Practical implications: Management by combining structures in the FFSC, improves logistics performance and contributes to food security. Social implications: The agents of the FFSC can apply the structures found in this study, to improve their logistics performance and the food security. Originality/value: The dynamics of individual and combined structures were identified, which constitutes a contribution to the discussion in the literature of such problems for FFSC. The model includes six echelons: farmers, wholesalers, agro-industry, third-party logistics operators and retailers. The dynamic contemplates deterioration rate to model perishability and others losses.

  3. Dynamic impact of the structure of the supply chain of perishable foods on logistics performance and food security

    Directory of Open Access Journals (Sweden)

    Javier Arturo Orjuela Castro

    2017-10-01

    Full Text Available Purpose: Understanding how the structure affects logistical performance and food security is critical in the supply chains of perishable foods (PFSC. This research proposes a system dynamics model to analyze the effects of structures: lean, agile, flexible, responsive and resilient, in the overall performance and of each agent of the PFSC. Design/methodology/approach: Using a system dynamics model and design of experiments it is studied how the different structures and their combination, affect the behavior of inventory, transportation, responsiveness, efficiency, availability and quality-safety of the fresh fruits supply chain and each echelon. Findings: The studies of supply chains have been done for each structure in an independent way; investigations are scarce in supply chains of perishable foods. The structures modeled in this research do not show the better performance in all the metrics of the chain, neither in all agents for each structure. The above implies the presence of trade-offs. Research limitations/implications: The results show the need to investigate mixed structures with the FPSC´s own characteristics; the model can be applied in other supply chains of perishable foods. Practical implications: Management by combining structures in the FFSC, improves logistics performance and contributes to food security. Social implications: The agents of the FFSC can apply the structures found in this study, to improve their logistics performance and the food security. Originality/value: The dynamics of individual and combined structures were identified, which constitutes a contribution to the discussion in the literature of such problems for FFSC. The model includes six echelons: farmers, wholesalers, agro-industry, third-party logistics operators and retailers. The dynamic contemplates deterioration rate to model perishability and others losses.

  4. Dynamic impact of the structure of the supply chain of perishable foods on logistics performance and food security

    International Nuclear Information System (INIS)

    Castro, Javier Arturo Orjuela; Jaimes, Wilson Adarme

    2017-01-01

    Understanding how the structure affects logistical performance and food security is critical in the supply chains of perishable foods (PFSC). This research proposes a system dynamics model to analyze the effects of structures: lean, agile, flexible, responsive and resilient, in the overall performance and of each agent of the PFSC. Design/methodology/approach: Using a system dynamics model and design of experiments it is studied how the different structures and their combination, affect the behavior of inventory, transportation, responsiveness, efficiency, availability and quality-safety of the fresh fruits supply chain and each echelon. Findings: The studies of supply chains have been done for each structure in an independent way; investigations are scarce in supply chains of perishable foods. The structures modeled in this research do not show the better performance in all the metrics of the chain, neither in all agents for each structure. The above implies the presence of trade-offs. Research limitations/implications: The results show the need to investigate mixed structures with the FPSC´s own characteristics; the model can be applied in other supply chains of perishable foods. Practical implications: Management by combining structures in the FFSC, improves logistics performance and contributes to food security. Social implications: The agents of the FFSC can apply the structures found in this study, to improve their logistics performance and the food security. Originality/value: The dynamics of individual and combined structures were identified, which constitutes a contribution to the discussion in the literature of such problems for FFSC. The model includes six echelons: farmers, wholesalers, agro-industry, third-party logistics operators and retailers. The dynamic contemplates deterioration rate to model perishability and others losses.

  5. Sequence- and structure-dependent DNA base dynamics: Synthesis, structure, and dynamics of site and sequence specifically spin-labeled DNA

    International Nuclear Information System (INIS)

    Spaltenstein, A.; Robinson, B.H.; Hopkins, P.B.

    1989-01-01

    A nitroxide spin-labeled analogue of thymidine (1a), in which the methyl group is replaced by an acetylene-tethered nitroxide, was evaluated as a probe for structural and dynamics studies of sequence specifically spin-labeled DNA. Residue 1a was incorporated into synthetic deoxyoligonucleotides by using automated phosphite triester methods. 1 H NMR, CD, and thermal denaturation studies indicate that 1a (T) does not significantly alter the structure of 5'-d(CGCGAATT*CGCG) from that of the native dodecamer. EPR studies on monomer, single-stranded, and duplexed DNA show that 1a readily distinguishes environments of different rigidity. Comparison of the general line-shape features of the observed EPR spectra of several small duplexes (12-mer, 24-mer) with simulated EPR spectra assuming isotropic motion suggests that probe 1a monitors global tumbling of small duplexes. Increasing the length of the DNA oligomers results in significant deviation from isotropic motion, with line-shape features similar to those of calculated spectra of objects with isotropic rotational correlation times of 20-100 ns. EPR spectra of a spin-labeled GT mismatch and a T bulge in long DNAs are distinct from those of spin-labeled Watson-Crick paired DNAs, further demonstrating the value of EPR as a tool in the evaluation of local dynamic and structural features in macromolecules

  6. The effect of point mutations on structure and mechanical properties of collagen-like fibril: A molecular dynamics study

    International Nuclear Information System (INIS)

    Marlowe, Ashley E.; Singh, Abhishek; Yingling, Yaroslava G.

    2012-01-01

    Understanding sequence dependent mechanical and structural properties of collagen fibrils is important for the development of artificial biomaterials for medical and nanotechnological applications. Moreover, point mutations are behind many collagen associated diseases, including Osteogenesis Imperfecta (OI). We conducted a combination of classical and steered atomistic molecular dynamics simulations to examine the effect of point mutations on structure and mechanical properties of short collagen fibrils which include mutations of glycine to alanine, aspartic acid, cysteine, and serine or mutations of hydroxyproline to arginine, asparagine, glutamine, and lysine. We found that all mutations disrupt structure and reduce strength of the collagen fibrils, which may affect the hierarchical packing of the fibrils. The glycine mutations were more detrimental to mechanical strength of the fibrils (WT > Ala > Ser > Cys > Asp) than that of hydroxyproline (WT > Arg > Gln > Asn > Lys). The clinical outcome for glycine mutations agrees well with the trend in reduction of fibril's tensile strength predicted by our simulations. Overall, our results suggest that the reduction in mechanical properties of collagen fibrils may be used to predict the clinical outcome of mutations. Highlights: ► All mutations disrupt structure and bonding pattern and reduce strength of the collagen fibrils. ► Gly based mutations are worst to mechanical integrity of fibrils than that of Hyp. ► Lys and Arg mutations most dramatically destabilize collagen fibril properties. ► Clinical outcome of mutations may be related to the reduced mechanical properties of fibrils.

  7. Uncertainty propagation through dynamic models of assemblies of mechanical structures

    International Nuclear Information System (INIS)

    Daouk, Sami

    2016-01-01

    When studying the behaviour of mechanical systems, mathematical models and structural parameters are usually considered deterministic. Return on experience shows however that these elements are uncertain in most cases, due to natural variability or lack of knowledge. Therefore, quantifying the quality and reliability of the numerical model of an industrial assembly remains a major question in low-frequency dynamics. The purpose of this thesis is to improve the vibratory design of bolted assemblies through setting up a dynamic connector model that takes account of different types and sources of uncertainty on stiffness parameters, in a simple, efficient and exploitable in industrial context. This work has been carried out in the framework of the SICODYN project, led by EDF R and D, that aims to characterise and quantify, numerically and experimentally, the uncertainties in the dynamic behaviour of bolted industrial assemblies. Comparative studies of several numerical methods of uncertainty propagation demonstrate the advantage of using the Lack-Of-Knowledge theory. An experimental characterisation of uncertainties in bolted structures is performed on a dynamic test rig and on an industrial assembly. The propagation of many small and large uncertainties through different dynamic models of mechanical assemblies leads to the assessment of the efficiency of the Lack-Of-Knowledge theory and its applicability in an industrial environment. (author)

  8. Challenges in parameter identification of large structural dynamic systems

    International Nuclear Information System (INIS)

    Koh, C.G.

    2001-01-01

    In theory, it is possible to determine the parameters of a structural or mechanical system by subjecting it to some dynamic excitation and measuring the response. Considerable research has been carried out in this subject area known as the system identification over the past two decades. Nevertheless, the challenges associated with numerical convergence are still formidable when the system is large in terms of the number of degrees of freedom and number of unknowns. While many methods work for small systems, the convergence becomes difficult, if not impossible, for large systems. In this keynote lecture, both classical and non-classical system identification methods for dynamic testing and vibration-based inspection are discussed. For classical methods, the extended Kalman filter (EKF) approach is used. On this basis, a substructural identification method has been developed as a strategy to deal with large structural systems. This is achieved by reducing the problem size, thereby significantly improving the numerical convergence and efficiency. Two versions of this method are presented each with its own merits. A numerical example of frame structure with 20 unknown parameters is illustrated. For non-classical methods, the Genetic Algorithm (GA) is shown to be applicable with relative ease due to its 'forward analysis' nature. The computational time is, however, still enormous for large structural systems due to the combinatorial explosion problem. A model GA method has been developed to address this problem and tested with considerable success on a relatively large system of 50 degrees of freedom, accounting for input and output noise effects. An advantages of this GA-based identification method is that the objective function can be defined in response measured. Numerical studies show that the method is relatively robust, as it does in response measured. Numerical studies show that the method is relatively robust, as it dos not require good initial guess and the

  9. Local structural mechanism for frozen-in dynamics in metallic glasses

    Science.gov (United States)

    Liu, X. J.; Wang, S. D.; Wang, H.; Wu, Y.; Liu, C. T.; Li, M.; Lu, Z. P.

    2018-04-01

    The nature of the glass transition is a fundamental and long-standing intriguing issue in the condensed-matter physics and materials science community. In particular, the structural response by which a liquid is arrested dynamically to form a glass or amorphous solid upon approaching its freezing temperature [the glass transition temperature (Tg)] remains unclear. Various structural scenarios in terms of the percolation theory have been proposed recently to understand such a phenomenon; however, there is still no consensus on what the general percolation entity is and how the entity responds to the sudden slowdown dynamics during the glass transition. In this paper, we demonstrate that one-dimensional local linear ordering (LLO) is a universal structural motif associated with the glass transition for various metallic glasses. The quantitative evolution of LLO with temperature indicates that a percolating LLO network forms to serve as the backbone of the rigid glass solid when the temperature approaches the freezing point, resulting in the frozen-in dynamics accompanying the glass transition. The percolation transition occurs by pinning different LLO networks together, which only needs the introduction of a small number of "joint" atoms between them, and therefore the energy expenditure is very low.

  10. The Fine Structure of Equity-Index Option Dynamics

    DEFF Research Database (Denmark)

    Andersen, Torben G.; Bondarenko, Oleg; Todorov, Viktor

    We analyze the high-frequency dynamics of S&P 500 equity-index option prices by constructing an assortment of implied volatility measures. This allows us to infer the underlying fine structure behind the innovations in the latent state variables driving the movements of the volatility surface...

  11. Nuclear visions enhanced: chromatin structure, organization and dynamics

    OpenAIRE

    Meshorer, Eran; Herrmann, Harald; Raška, Ivan

    2011-01-01

    The EMBO Workshop on ‘Chromatin Structure, Organization and Dynamics' took place in April 2011 in Prague, Czech Republic. Participants presented data on the generation of models of the genome, working to correlate changes in the organization of chromatin with the functional state of the genome.

  12. Structuring effects in binary nucleation : Molecular dynamics simulatons and coarse-grained nucleation theory

    NARCIS (Netherlands)

    Braun, S.; Kraska, T.; Kalikmanov, V.I.

    2013-01-01

    Binary clusters formed by vapor-liquid nucleation are frequently nonhomogeneous objects in which components are not well mixed. The structure of a cluster plays an important role in nucleation and cluster growth. We demonstrate structuring effects by studying high-pressure nucleation and cluster

  13. Dynamic structure factor of the normal Fermi gas from the collisionless to the hydrodynamic regime

    International Nuclear Information System (INIS)

    Watabe, Shohei; Nikuni, Tetsuro

    2010-01-01

    The dynamic structure factor of a normal Fermi gas is investigated by using the moment method for the Boltzmann equation. We determine the spectral function at finite temperatures over the full range of crossover from the collisionless regime to the hydrodynamic regime. We find that the Brillouin peak in the dynamic structure factor exhibits a smooth crossover from zero to first sound as functions of temperature and interaction strength. The dynamic structure factor obtained using the moment method also exhibits a definite Rayleigh peak (ω∼0), which is a characteristic of the hydrodynamic regime. We compare the dynamic structure factor obtained by the moment method with that obtained from the hydrodynamic equations.

  14. 35th IMAC, A Conference and Exposition on Structural Dynamics 2017

    CERN Document Server

    Niezrecki, Christopher; Maio, Dario; Castellini, Paolo; Mains, Michael; Blough, JR; Kerschen, Gaetan; Caicedo, Juan; Pakzad, Shamim; Barthorpe, Robert; Platz, Roland; Lopez, Israel; Moaveni, Babak; Papadimitriou, Costas; v.1 Nonlinear dynamics; v.2 Dynamics of civil structures; v.3 Model validation and uncertainty quantification; v.4 Dynamics of coupled structures; v.5 Sensors and instrumentation; v.6 Special topics in structural dynamics; v.7 Structural health monitoring & damage detection; v.8 Rotating machinery, hybrid test methods, vibro-acoustics & laser vibrometry; v.9 Shock & vibration, aircraft/aerospace, energy harvesting, acoustics & optics; v.10 Topics in modal analysis & testing

    2017-01-01

    Nonlinear Dynamics, Volume 1: Proceedings of the 35th IMAC, A Conference and Exposition on Structural Dynamics, 2017, the first volume of ten 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 Nonlinear Dynamics, including papers on: Nonlinear System Identification Nonlinear Modeling & Simulation Nonlinear Reduced-order Modeling Nonlinearity in Practice Nonlinearity in Aerospace Systems Nonlinearity in Multi-Physics Systems Nonlinear Modes and Modal Interactions Experimental Nonlinear Dynamics.

  15. Effect of Dynamic Flow on the Structure of Inhibition Layer in Hot-dip Galvanizing

    Energy Technology Data Exchange (ETDEWEB)

    Jin, Young Sool; Kim, Myung Soo; Kim, Su Young [POSCO Technical Research Labs., Gwangyang (Korea, Republic of); Paik, Doo Jin [POSCO Kwangyang Steel Works, Gwangyang (Korea, Republic of)

    2011-02-15

    The effect of dynamic flow or forced convection were investigated and compared on the formation of inhibition layer, galvanizing and galvannealing reactions through the hot-dip galvanizing simulator with the oscillation of specimen in zinc bath, continuous galvanizing pilot plant with zinc pumping system through the snout and continuous galvanizing operation with Dynamic Galvanizing{sup TR} system. The interfacial Al pick-up was not consistent between the results of simulator, pilot plant and line operation, but the morphology of inhibition layer became compact and refined by the forced convection. The growth of Fe-Zn intermetallics at the interface was inhibited by the forced convection, whereas the galvannealing rate would be a little promoted.

  16. Effect of Dynamic Flow on the Structure of Inhibition Layer in Hot-dip Galvanizing

    International Nuclear Information System (INIS)

    Jin, Young Sool; Kim, Myung Soo; Kim, Su Young; Paik, Doo Jin

    2011-01-01

    The effect of dynamic flow or forced convection were investigated and compared on the formation of inhibition layer, galvanizing and galvannealing reactions through the hot-dip galvanizing simulator with the oscillation of specimen in zinc bath, continuous galvanizing pilot plant with zinc pumping system through the snout and continuous galvanizing operation with Dynamic Galvanizing TR system. The interfacial Al pick-up was not consistent between the results of simulator, pilot plant and line operation, but the morphology of inhibition layer became compact and refined by the forced convection. The growth of Fe-Zn intermetallics at the interface was inhibited by the forced convection, whereas the galvannealing rate would be a little promoted

  17. The interplay between dynamic heterogeneities and structure of bulk liquid water: A molecular dynamics simulation study

    Energy Technology Data Exchange (ETDEWEB)

    Demontis, Pierfranco; Suffritti, Giuseppe B. [Dipartimento di Chimica e Farmacia, Università degli studi di Sassari, Sassari (Italy); Consorzio Interuniversitario Nazionale per la Scienza e Tecnologia dei Materiali (INSTM), Unità di ricerca di Sassari, Via Vienna, 2, I-07100 Sassari (Italy); Gulín-González, Jorge [Grupo de Matemática y Física Computacionales, Universidad de las Ciencias Informáticas (UCI), Carretera a San Antonio de los Baños, Km 21/2, La Lisa, La Habana (Cuba); Masia, Marco [Dipartimento di Chimica e Farmacia, Università degli studi di Sassari, Sassari (Italy); Consorzio Interuniversitario Nazionale per la Scienza e Tecnologia dei Materiali (INSTM), Unità di ricerca di Sassari, Via Vienna, 2, I-07100 Sassari (Italy); Istituto Officina dei Materiali del CNR, UOS SLACS, Via Vienna 2, 07100 Sassari (Italy); Sant, Marco [Dipartimento di Chimica e Farmacia, Università degli studi di Sassari, Sassari (Italy)

    2015-06-28

    In order to study the interplay between dynamical heterogeneities and structural properties of bulk liquid water in the temperature range 130–350 K, thus including the supercooled regime, we use the explicit trend of the distribution functions of some molecular properties, namely, the rotational relaxation constants, the atomic mean-square displacements, the relaxation of the cross correlation functions between the linear and squared displacements of H and O atoms of each molecule, the tetrahedral order parameter q and, finally, the number of nearest neighbors (NNs) and of hydrogen bonds (HBs) per molecule. Two different potentials are considered: TIP4P-Ew and a model developed in this laboratory for the study of nanoconfined water. The results are similar for the dynamical properties, but are markedly different for the structural characteristics. In particular, for temperatures higher than that of the dynamic crossover between “fragile” (at higher temperatures) and “strong” (at lower temperatures) liquid behaviors detected around 207 K, the rotational relaxation of supercooled water appears to be remarkably homogeneous. However, the structural parameters (number of NNs and of HBs, as well as q) do not show homogeneous distributions, and these distributions are different for the two water models. Another dynamic crossover between “fragile” (at lower temperatures) and “strong” (at higher temperatures) liquid behaviors, corresponding to the one found experimentally at T{sup ∗} ∼ 315 ± 5 K, was spotted at T{sup ∗} ∼ 283 K and T{sup ∗} ∼ 276 K for the TIP4P-Ew and the model developed in this laboratory, respectively. It was detected from the trend of Arrhenius plots of dynamic quantities and from the onset of a further heterogeneity in the rotational relaxation. To our best knowledge, it is the first time that this dynamical crossover is detected in computer simulations of bulk water. On the basis of the simulation results, the possible

  18. Mapping the structural and dynamical features of kinesin motor domains.

    Directory of Open Access Journals (Sweden)

    Guido Scarabelli

    Full Text Available Kinesin motor proteins drive intracellular transport by coupling ATP hydrolysis to conformational changes that mediate directed movement along microtubules. Characterizing these distinct conformations and their interconversion mechanism is essential to determining an atomic-level model of kinesin action. Here we report a comprehensive principal component analysis of 114 experimental structures along with the results of conventional and accelerated molecular dynamics simulations that together map the structural dynamics of the kinesin motor domain. All experimental structures were found to reside in one of three distinct conformational clusters (ATP-like, ADP-like and Eg5 inhibitor-bound. These groups differ in the orientation of key functional elements, most notably the microtubule binding α4-α5, loop8 subdomain and α2b-β4-β6-β7 motor domain tip. Group membership was found not to correlate with the nature of the bound nucleotide in a given structure. However, groupings were coincident with distinct neck-linker orientations. Accelerated molecular dynamics simulations of ATP, ADP and nucleotide free Eg5 indicate that all three nucleotide states could sample the major crystallographically observed conformations. Differences in the dynamic coupling of distal sites were also evident. In multiple ATP bound simulations, the neck-linker, loop8 and the α4-α5 subdomain display correlated motions that are absent in ADP bound simulations. Further dissection of these couplings provides evidence for a network of dynamic communication between the active site, microtubule-binding interface and neck-linker via loop7 and loop13. Additional simulations indicate that the mutations G325A and G326A in loop13 reduce the flexibility of these regions and disrupt their couplings. Our combined results indicate that the reported ATP and ADP-like conformations of kinesin are intrinsically accessible regardless of nucleotide state and support a model where neck

  19. Dynamic loads during failure risk assessment of bridge crane structures

    Science.gov (United States)

    Gorynin, A. D.; Antsev, V. Yu; Shaforost, A. N.

    2018-03-01

    The paper presents the method of failure risk assessment associated with a bridge crane metal structure at the design stage. It also justifies the necessity of taking into account dynamic loads with regard to the operational cycle of a bridge crane during failure risk assessment of its metal structure.

  20. Crystal structure and pair potentials: A molecular-dynamics study

    Energy Technology Data Exchange (ETDEWEB)

    Parrinello, M.; Rahman, A.

    1980-10-06

    With use of a Lagrangian which allows for the variation of the shape and size of the periodically repeating molecular-dynamics cell, it is shown that different pair potentials lead to different crystal structures.

  1. Effects of dynamic aging and tensile properties of beryllium

    International Nuclear Information System (INIS)

    Lashuk, N.K.; Tkachenko, V.G.; Khamatov, R.I.; Artemyuk, S.A.; Kolesnik, L.I.; Yushko, V.G.

    1979-01-01

    The analysis of temperature dependences of deformation and fracture characteristis (σsub(0.2),σ and σsub(B)) of the TGP beryllium, showed their nonmonotonous character, caused by dynamic aging effects at the temperatures of 200 and 500 deg C. These effects manifest themselves to a variable degree depending on structure and heat treatment of the metal. Dissolved interstitials are responsible for low-temperature aging, while substitutional impurities are responsible for high-temperature aging. Stated is the effect of high-temperature aging berrylium hot brittleness. The corresponding mechanisms are discussed within the frames of dislocation theory of strain aging

  2. Key Players in I-DmoI Endonuclease Catalysis Revealed from Structure and Dynamics

    DEFF Research Database (Denmark)

    Molina, Rafael; Besker, Neva; Marcaida, Maria Jose

    2016-01-01

    . The cleavage mechanism was related both to key structural effects, such as the position of water molecules and ions participating in the cleavage reaction, and to dynamical effects related to protein behavior. In particular, we found that the protein perturbation pattern significantly changes between cleaved......Homing endonucleases, such as I-DmoI, specifically recognize and cleave long DNA target sequences (∼20 bp) and are potentially powerful tools for genome manipulation. However, inefficient and off-target DNA cleavage seriously limits specific editing in complex genomes. One approach to overcome...

  3. Dynamic isoperimetry and the geometry of Lagrangian coherent structures

    International Nuclear Information System (INIS)

    Froyland, Gary

    2015-01-01

    The study of transport and mixing processes in dynamical systems is particularly important for the analysis of mathematical models of physical systems. We propose a novel, direct geometric method to identify subsets of phase space that remain strongly coherent over a finite time duration. This new method is based on a dynamic extension of classical (static) isoperimetric problems; the latter are concerned with identifying submanifolds with the smallest boundary size relative to their volume.The present work introduces dynamic isoperimetric problems; the study of sets with small boundary size relative to volume as they are evolved by a general dynamical system. We formulate and prove dynamic versions of the fundamental (static) isoperimetric (in)equalities; a dynamic Federer–Fleming theorem and a dynamic Cheeger inequality. We introduce a new dynamic Laplace operator and describe a computational method to identify coherent sets based on eigenfunctions of the dynamic Laplacian.Our results include formal mathematical statements concerning geometric properties of finite-time coherent sets, whose boundaries can be regarded as Lagrangian coherent structures. The computational advantages of our new approach are a well-separated spectrum for the dynamic Laplacian, and flexibility in appropriate numerical approximation methods. Finally, we demonstrate that the dynamic Laplace operator can be realised as a zero-diffusion limit of a newly advanced probabilistic transfer operator method [9] for finding coherent sets, which is based on small diffusion. Thus, the present approach sits naturally alongside the probabilistic approach [9], and adds a formal geometric interpretation. (paper)

  4. Structural Forecasts for the Danish Economy Using The Dynamic-AAGE Model

    DEFF Research Database (Denmark)

    Adams, Philip D; Andersen, Lill Thanning; Jacobsen, Lars Bo

    2002-01-01

    developed for MONASH has now been applied to Dynamic-AAGE to generate structural forecasts for the Danish economy. The starting point for the Dynamic-AAGE forecasts is a set of scenarios for the macro economy supplied by a specialist-forecasting agency, currently the Danish Economic Council. Expert...

  5. Visualizing Structure and Dynamics of Disaccharide Simulations

    Energy Technology Data Exchange (ETDEWEB)

    Matthews, J. F.; Beckham, G. T.; Himmel, M. E.; Crowley, M. F.

    2012-01-01

    We examine the effect of several solvent models on the conformational properties and dynamics of disaccharides such as cellobiose and lactose. Significant variation in timescale for large scale conformational transformations are observed. Molecular dynamics simulation provides enough detail to enable insight through visualization of multidimensional data sets. We present a new way to visualize conformational space for disaccharides with Ramachandran plots.

  6. 32nd IMAC Conference and Exposition on Structural Dynamics

    CERN Document Server

    Mayes, Randy; Rixen, Daniel; Catbas, Fikret; Atamturktur, H; Moaveni, Babak; Papadimitriou, Costas; Schoenherr, Tyler; Foss, Gary; Niezrecki, Christopher; Allemang, Randall; Kerschen, Gaetan

    2014-01-01

    This critical collection examines a range of topics in modal analysis, from experimental techniques to acoustics to biodynamics,  as presented in early findings and case studies from the Proceedings of the 32nd IMAC, A Conference and Exposition on Structural Dynamics, 2014. The collection includes papers in the following general technical research areas: Experimental Techniques, Processing Modal Data, Rotating Machinery, Acoustics, Adaptive Structures, Biodynamics, Damping

  7. Structure and dynamics of molten salts

    International Nuclear Information System (INIS)

    Rovere, M.; Tosi, M.P.

    1986-02-01

    Modern techniques of liquid state physics have been successfully used over the last decade to probe the microscopic structure and dynamics of a variety of multicomponent liquids in which relative ordering of the species is present near freezing. The alkali halides are prototypes for this specific type of short range order in relation to the nature of bonding, but the systems in question include also other monovalent and polyvalent metal-ion halides, alkali-based intermetallic compounds, and chalcogen-based alloys. A viewpoint is taken in this review which gives attention to relations between liquid and solid phase properties across melting for compound systems at stoichiometric composition. In addition, large deviations from stoichiometry can be realized in the liquid phase, to display trends of evolution of structure, bonding and electronic states with composition. (author)

  8. Effects of the infectious period distribution on predicted transitions in childhood disease dynamics.

    Science.gov (United States)

    Krylova, Olga; Earn, David J D

    2013-07-06

    The population dynamics of infectious diseases occasionally undergo rapid qualitative changes, such as transitions from annual to biennial cycles or to irregular dynamics. Previous work, based on the standard seasonally forced 'susceptible-exposed-infectious-removed' (SEIR) model has found that transitions in the dynamics of many childhood diseases result from bifurcations induced by slow changes in birth and vaccination rates. However, the standard SEIR formulation assumes that the stage durations (latent and infectious periods) are exponentially distributed, whereas real distributions are narrower and centred around the mean. Much recent work has indicated that realistically distributed stage durations strongly affect the dynamical structure of seasonally forced epidemic models. We investigate whether inferences drawn from previous analyses of transitions in patterns of measles dynamics are robust to the shapes of the stage duration distributions. As an illustrative example, we analyse measles dynamics in New York City from 1928 to 1972. We find that with a fixed mean infectious period in the susceptible-infectious-removed (SIR) model, the dynamical structure and predicted transitions vary substantially as a function of the shape of the infectious period distribution. By contrast, with fixed mean latent and infectious periods in the SEIR model, the shapes of the stage duration distributions have a less dramatic effect on model dynamical structure and predicted transitions. All these results can be understood more easily by considering the distribution of the disease generation time as opposed to the distributions of individual disease stages. Numerical bifurcation analysis reveals that for a given mean generation time the dynamics of the SIR and SEIR models for measles are nearly equivalent and are insensitive to the shapes of the disease stage distributions.

  9. Structural, dynamic, and vibrational properties during heat transfer in Si/Ge superlattices: A Car-Parrinello molecular dynamics study

    Energy Technology Data Exchange (ETDEWEB)

    Ji, Pengfei; Zhang, Yuwen, E-mail: zhangyu@missouri.edu [Department of Mechanical and Aerospace Engineering, University of Missouri, Columbia, Missouri 65211 (United States); Yang, Mo [College of Energy and Power Engineering, University of Shanghai for Science and Technology, Shanghai 200093 (China)

    2013-12-21

    The structural, dynamic, and vibrational properties during 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) are computed and plotted to analyze the contributions of phonons with different frequencies to the heat conduction. Coherent heat conduction of the low frequency phonons is found and their contributions to facilitate heat transfer are confirmed. The Car-Parrinello molecular dynamics simulation outputs in the work show reasonable thermophysical results of the thermal energy transport process and shed light on the potential applications of treating the heat transfer in the superlattices of semiconductor materials from a quantum mechanical molecular dynamics simulation perspective.

  10. Structural, dynamic, and vibrational properties during heat transfer in Si/Ge superlattices: A Car-Parrinello molecular dynamics study

    International Nuclear Information System (INIS)

    Ji, Pengfei; Zhang, Yuwen; Yang, Mo

    2013-01-01

    The structural, dynamic, and vibrational properties during 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) are computed and plotted to analyze the contributions of phonons with different frequencies to the heat conduction. Coherent heat conduction of the low frequency phonons is found and their contributions to facilitate heat transfer are confirmed. The Car-Parrinello molecular dynamics simulation outputs in the work show reasonable thermophysical results of the thermal energy transport process and shed light on the potential applications of treating the heat transfer in the superlattices of semiconductor materials from a quantum mechanical molecular dynamics simulation perspective

  11. Structural, dynamic, and vibrational properties during heat transfer in Si/Ge superlattices: A Car-Parrinello molecular dynamics study

    Science.gov (United States)

    Ji, Pengfei; Zhang, Yuwen; Yang, Mo

    2013-12-01

    The structural, dynamic, and vibrational properties during 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) are computed and plotted to analyze the contributions of phonons with different frequencies to the heat conduction. Coherent heat conduction of the low frequency phonons is found and their contributions to facilitate heat transfer are confirmed. The Car-Parrinello molecular dynamics simulation outputs in the work show reasonable thermophysical results of the thermal energy transport process and shed light on the potential applications of treating the heat transfer in the superlattices of semiconductor materials from a quantum mechanical molecular dynamics simulation perspective.

  12. Thermodynamics, maximum power, and the dynamics of preferential river flow structures at the continental scale

    Directory of Open Access Journals (Sweden)

    A. Kleidon

    2013-01-01

    Full Text Available The organization of drainage basins shows some reproducible phenomena, as exemplified by self-similar fractal river network structures and typical scaling laws, and these have been related to energetic optimization principles, such as minimization of stream power, minimum energy expenditure or maximum "access". Here we describe the organization and dynamics of drainage systems using thermodynamics, focusing on the generation, dissipation and transfer of free energy associated with river flow and sediment transport. We argue that the organization of drainage basins reflects the fundamental tendency of natural systems to deplete driving gradients as fast as possible through the maximization of free energy generation, thereby accelerating the dynamics of the system. This effectively results in the maximization of sediment export to deplete topographic gradients as fast as possible and potentially involves large-scale feedbacks to continental uplift. We illustrate this thermodynamic description with a set of three highly simplified models related to water and sediment flow and describe the mechanisms and feedbacks involved in the evolution and dynamics of the associated structures. We close by discussing how this thermodynamic perspective is consistent with previous approaches and the implications that such a thermodynamic description has for the understanding and prediction of sub-grid scale organization of drainage systems and preferential flow structures in general.

  13. Correlation of bistranded clustered abasic DNA lesion processing with structural and dynamic DNA helix distortion

    Science.gov (United States)

    Bignon, Emmanuelle; Gattuso, Hugo; Morell, Christophe; Dehez, François; Georgakilas, Alexandros G.; Monari, Antonio; Dumont, Elise

    2016-01-01

    Clustered apurinic/apyrimidinic (AP; abasic) DNA lesions produced by ionizing radiation are by far more cytotoxic than isolated AP lesion entities. The structure and dynamics of a series of seven 23-bp oligonucleotides featuring simple bistranded clustered damage sites, comprising of two AP sites, zero, one, three or five bases 3′ or 5′ apart from each other, were investigated through 400 ns explicit solvent molecular dynamics simulations. They provide representative structures of synthetically engineered multiply damage sites-containing oligonucleotides whose repair was investigated experimentally (Nucl. Acids Res. 2004, 32:5609-5620; Nucl. Acids Res. 2002, 30: 2800–2808). The inspection of extrahelical positioning of the AP sites, bulge and non Watson–Crick hydrogen bonding corroborates the experimental measurements of repair efficiencies by bacterial or human AP endonucleases Nfo and APE1, respectively. This study provides unprecedented knowledge into the structure and dynamics of clustered abasic DNA lesions, notably rationalizing the non-symmetry with respect to 3′ to 5′ position. In addition, it provides strong mechanistic insights and basis for future studies on the effects of clustered DNA damage on the recognition and processing of these lesions by bacterial or human DNA repair enzymes specialized in the processing of such lesions. PMID:27587587

  14. Effects of spin orbital coupling on atomic and electronic structures in Al{sub 2}Cu and Al{sub 2}Au crystal and liquid phases via ab initio molecular dynamics simulations

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Y. [International Center for New-Structured Materials (ICNSM), Laboratory of New-Structured Materials, State Key Laboratory of Silicon Materials, and Department of Materials Science and Engineering, Zhejiang University, Hangzhou 310027 (China); Lu, Y.H., E-mail: luyh@zju.edu.cn [International Center for New-Structured Materials (ICNSM), Laboratory of New-Structured Materials, State Key Laboratory of Silicon Materials, and Department of Materials Science and Engineering, Zhejiang University, Hangzhou 310027 (China); Wang, X.D.; Cao, Q.P. [International Center for New-Structured Materials (ICNSM), Laboratory of New-Structured Materials, State Key Laboratory of Silicon Materials, and Department of Materials Science and Engineering, Zhejiang University, Hangzhou 310027 (China); Zhang, D.X. [State Key Laboratory of Modern Optical Instrumentation, Zhejiang University, Hangzhou 310027 (China); Jiang, J.Z., E-mail: jiangjz@zju.edu.cn [International Center for New-Structured Materials (ICNSM), Laboratory of New-Structured Materials, State Key Laboratory of Silicon Materials, and Department of Materials Science and Engineering, Zhejiang University, Hangzhou 310027 (China)

    2014-11-15

    Highlights: • The SOC effect affects the cohesion energy of crystal phase. • The effect of SOC was reduced due to random local atomic structures in liquids. • The local geometrical structures also affect the melting points. • Both SOC effect and local atomic structures are important for melting point difference. - Abstract: The origin of different melting points between Al{sub 2}Cu and Al{sub 2}Au has been studied using ab initio molecular dynamics simulations. Cohesive energy, electronic structures and structure information of both crystal and liquid phases have been analyzed. It is found that spin orbital coupling (SOC) plays an important role on the cohesive energy of crystal phase, consistent with the different melting points of these two alloys. Whereas, it seems that SOC has no effect on the formation energy and structure of liquid phase. Possible mechanism of reduced SOC effect at liquid phase is proposed. Our results are helpful to understand the glass formation ability difference between Al{sub 2}Cu and Al{sub 2}Au.

  15. A broadband frequency-tunable dynamic absorber for the vibration control of structures

    International Nuclear Information System (INIS)

    Komatsuzaki, T; Inoue, T; Terashima, O

    2016-01-01

    A passive-type dynamic vibration absorber (DVA) is basically a mass-spring system that suppresses the vibration of a structure at a particular frequency. Since the natural frequency of the DVA is usually tuned to a frequency of particular excitation, the DVA is especially effective when the excitation frequency is close to the natural frequency of the structure. Fixing the physical properties of the DVA limits the application to a narrowband, harmonically excited vibration problem. A frequency-tunable DVA that can modulate its stiffness provides adaptability to the vibration control device against non-stationary disturbances. In this paper, we suggest a broadband frequency-tunable DVA whose natural frequency can be extended by 300% to the nominal value using the magnetorheological elastomers (MREs). The frequency adjustability of the proposed absorber is first shown. The real-time vibration control performance of the frequency-tunable absorber for an acoustically excited plate having multiple resonant peaks is then evaluated. Investigations show that the vibration of the structure can be effectively reduced with an improved performance by the DVA in comparison to the conventional passive- type absorber. (paper)

  16. Tunable dynamic response of magnetic gels: Impact of structural properties and magnetic fields

    Science.gov (United States)

    Tarama, Mitsusuke; Cremer, Peet; Borin, Dmitry Y.; Odenbach, Stefan; Löwen, Hartmut; Menzel, Andreas M.

    2014-10-01

    Ferrogels and magnetic elastomers feature mechanical properties that can be reversibly tuned from outside through magnetic fields. Here we concentrate on the question of how their dynamic response can be adjusted. The influence of three factors on the dynamic behavior is demonstrated using appropriate minimal models: first, the orientational memory imprinted into one class of the materials during their synthesis; second, the structural arrangement of the magnetic particles in the materials; and third, the strength of an external magnetic field. To illustrate the latter point, structural data are extracted from a real experimental sample and analyzed. Understanding how internal structural properties and external influences impact the dominant dynamical properties helps to design materials that optimize the requested behavior.

  17. Molecular Structure and Dynamics in Thin Water Films at the Silica and Graphite Surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Argyris, Dr. Dimitrios [University of Oklahoma; Tummala, Dr. Naga Rajesh [University of Oklahoma; StrioloDr., A [Vanderbilt University; Cole, David R [ORNL

    2008-01-01

    The structure and dynamic properties of interfacial water at the graphite and silica solid surfaces were investigated using molecular dynamics simulations. The effect of surface properties on the characteristics of interfacial water was quantified by computing density profiles, radial distribution functions, surface density distributions, orientation order parameters, and residence and reorientation correlation functions. In brief, our results show that the surface roughness, chemical heterogeneity, and surface heterogeneous charge distribution affect the structural and dynamic properties of the interfacial water molecules, as well as their rate of exchange with bulk water. Most importantly, our results indicate the formation of two distinct water layers at the SiO2 surface covered by a large density of hydroxyl groups. Further analysis of the data suggests a highly confined first layer where the water molecules assume preferential hydrogen-down orientation and a second layer whose behavior and characteristics are highly dependent on those of the first layer through a well-organized hydrogen bond network. The results suggest that water-water interactions, in particular hydrogen bonds, may be largely responsible for macroscopic interfacial properties such as adsorption and contact angle.

  18. Polyphilic Interactions as Structural Driving Force Investigated by Molecular Dynamics Simulation (Project 7

    Directory of Open Access Journals (Sweden)

    Christopher Peschel

    2017-09-01

    Full Text Available We investigated the effect of fluorinated molecules on dipalmitoylphosphatidylcholine (DPPC bilayers by force-field molecular dynamics simulations. In the first step, we developed all-atom force-field parameters for additive molecules in membranes to enable an accurate description of those systems. On the basis of this force field, we performed extensive simulations of various bilayer systems containing different additives. The additive molecules were chosen to be of different size and shape, and they included small molecules such as perfluorinated alcohols, but also more complex molecules. From these simulations, we investigated the structural and dynamic effects of the additives on the membrane properties, as well as the behavior of the additive molecules themselves. Our results are in good agreement with other theoretical and experimental studies, and they contribute to a microscopic understanding of interactions, which might be used to specifically tune membrane properties by additives in the future.

  19. Excitonic dynamical Franz-Keldysh effect

    DEFF Research Database (Denmark)

    Nordstrøm, K.B.; Johnsen, Kristinn; Allen, S.J.

    1998-01-01

    The dynamical Franz-Keldysh effect is exposed by exploring near-band-gap absorption in the presence of intense THz electric fields. It bridges the gap between the de Franz-Keldysh effect and multiphoton absorption and competes with the THz ac Stark effect in shifting the energy of the excitonic...... resonance. A theoretical model which includes the strong THz field nonperturbatively via a nonequilibrium Green functions technique is able to describe the dynamical Franz-Keldysh effect in the presence of excitonic absorption....

  20. Structural dynamics of shroudless, hollow fan blades with composite in-lays

    Science.gov (United States)

    Aiello, R. A.; Hirschbein, M. S.; Chamis, C. C.

    1982-01-01

    Structural and dynamic analyses are presented for a shroudless, hollow titanium fan blade proposed for future use in aircraft turbine engines. The blade was modeled and analyzed using the composite blade structural analysis computer program (COBSTRAN); an integrated program consisting of mesh generators, composite mechanics codes, NASTRAN, and pre- and post-processors. Vibration and impact analyses are presented. The vibration analysis was conducted with COBSTRAN. Results show the effect of the centrifugal force field on frequencies, twist, and blade camber. Bird impact analysis was performed with the multi-mode blade impact computer program. This program uses the geometric model and modal analysis from the COBSTRAN vibration analysis to determine the gross impact response of the fan blades to bird strikes. The structural performance of this blade is also compared to a blade of similar design but with composite in-lays on the outer surface. Results show that the composite in-lays can be selected (designed) to substantially modify the mechanical performance of the shroudless, hollow fan blade.

  1. 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

  2. Structure in sheared supercooled liquids: Dynamical rearrangements of an effective system of icosahedra.

    Science.gov (United States)

    Pinney, Rhiannon; Liverpool, Tanniemola B; Royall, C Patrick

    2016-12-21

    We consider a binary Lennard-Jones glassformer whose super-Arrhenius dynamics are correlated with the formation of particles organized into icosahedra under simple steady state shear. We recast this glassformer as an effective system of icosahedra [Pinney et al., J. Chem. Phys. 143, 244507 (2015)]. From the observed population of icosahedra in each steady state, we obtain an effective temperature which is linearly dependent on the shear rate in the range considered. Upon shear banding, the system separates into a region of high shear rate and a region of low shear rate. The effective temperatures obtained in each case show that the low shear regions correspond to a significantly lower temperature than the high shear regions. Taking a weighted average of the effective temperature of these regions (weight determined by region size) yields an estimate of the effective temperature which compares well with an effective temperature based on the global mesocluster population of the whole system.

  3. Molecular structures and intramolecular dynamics of pentahalides

    Science.gov (United States)

    Ischenko, A. A.

    2017-03-01

    This paper reviews advances of modern gas electron diffraction (GED) method combined with high-resolution spectroscopy and quantum chemical calculations in studies of the impact of intramolecular dynamics in free molecules of pentahalides. Some recently developed approaches to the electron diffraction data interpretation, based on direct incorporation of the adiabatic potential energy surface parameters to the diffraction intensity are described. In this way, complementary data of different experimental and computational methods can be directly combined for solving problems of the molecular structure and its dynamics. The possibility to evaluate some important parameters of the adiabatic potential energy surface - barriers to pseudorotation and saddle point of intermediate configuration from diffraction intensities in solving the inverse GED problem is demonstrated on several examples. With increasing accuracy of the electron diffraction intensities and the development of the theoretical background of electron scattering and data interpretation, it has become possible to investigate complex nuclear dynamics in fluxional systems by the GED method. Results of other research groups are also included in the discussion.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    1997-09-01

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

  5. Dynamics of Structures in Configuration Space and Phase Space: An Introductory Tutorial

    Science.gov (United States)

    Diamond, P. H.; Kosuga, Y.; Lesur, M.

    2015-12-01

    Some basic ideas relevant to the dynamics of phase space and real space structures are presented in a pedagogical fashion. We focus on three paradigmatic examples, namely; G. I. Taylor's structure based re-formulation of Rayleigh's stability criterion and its implications for zonal flow momentum balance relations; Dupree's mechanism for nonlinear current driven ion acoustic instability and its implication for anomalous resistivity; and the dynamics of structures in drift and gyrokinetic turbulence and their relation to zonal flow physics. We briefly survey the extension of mean field theory to calculate evolution in the presence of localized structures for regimes where Kubo number K ≃ 1 rather than K ≪ 1, as is usual for quasilinear theory.

  6. Effect of bidirectional internal flow on fluid–structure interaction dynamics of conveying marine riser model subject to shear current

    Directory of Open Access Journals (Sweden)

    Zheng-Shou Chen

    2012-03-01

    Full Text Available This article presents a numerical investigation concerning the effect of two kinds of axially progressing internal flows (namely, upward and downward on fluid–structure interaction (FSI dynamics about a marine riser model which is subject to external shear current. The CAE technology behind the current research is a proposed FSI solution, which combines structural analysis software with CFD technology together. Efficiency validation for the CFD software was carried out first. It has been proved that the result from numerical simulations agrees well with the observation from relating model test cases in which the fluidity of internal flow is ignorable. After verifying the numerical code accuracy, simulations are conducted to study the vibration response that attributes to the internal progressive flow. It is found that the existence of internal flow does play an important role in determining the vibration mode (/dominant frequency and the magnitude of instantaneous vibration amplitude. Since asymmetric curvature along the riser span emerges in the case of external shear current, the centrifugal and Coriolis accelerations owing to up- and downward internal progressive flows play different roles in determining the fluid–structure interaction response. The discrepancy between them becomes distinct, when the velocity ratio of internal flow against external shear current is relatively high.

  7. Dynamical and structural properties of lipid membranes in relation to liposomal drug delivery systems

    DEFF Research Database (Denmark)

    Jørgensen, Kent; Høyrup, Lise Pernille Kristine; Pedersen, Tina B.

    2001-01-01

    The structural and dynamical properties of DPPC liposomes containing lipopolymers (PEG-lipids) and charged DPPS lipids have been,studied in relation to the lipid membrane interaction of enzymes and peptides. The results suggest that both the lipid membrane structure and dynamics and in particular...

  8. Charge-carrier dynamics and Coulomb effects in semiconductor tetrapods

    International Nuclear Information System (INIS)

    Mauser, Christian

    2011-01-01

    In this thesis the Coulomb interaction and its influence on localization effects and dynamics of charge carriers in semiconductor nanocrystals were studied. In the studied nanostructures it deals with colloidal tetrapod heterostructures, which consist of a cadmium selenide (CdSe) core and four tetraedrical grown cadmium sulfide (CdS) respectively cadmium telluride (CdTe) legs, which exhibit a type-I respectively type-II band transition. The dynamics and interactions were studied by means of photoluminescence (PL) and absorption measurements both on the ensemble and on single nanoparticles, as well as time-resolved PL and transient absorption spectroscopy. Additionally theoretical simulations of the wave-function distributions were performed, which are based on the effective-mass approximation. The special band structure of the CdSe/CdS tetrapods offers a unique possibility to study the Coulomb interaction. The flat conduction band in these heterostructures makes the electron via the Coulomb interaction sensitive to the localization position of the hole within the structure. The valence band has instead a potential maximum in the CdSe, which leads to a directed localization of the hole and the photoluminescence of the core. Polarization-resolved measurements showed hereby an anisotropy of the photoluminescence, which could be explained by means of simulations of the wave-function distribution with an asymmetry at the branching point. Charge-carrier localization occur mainly both in longer structures and in trap states in the CdS leg and can be demonstrated in form of a dual emission from a nanocrystal. The charge-carrier dynamics of electron and hole in tetrapods is indeed coupled by the Coulomb interaction, however it cannot be completely described in an exciton picture. The coupled dynamics and the Coulomb interaction were studied concerning a possible influence of the geometry in CdSe/CdS nanorods and compared with those of the tetrapods. The interactions of the

  9. Insights into Watson–Crick/Hoogsteen breathing dynamics and damage repair from the solution structure and dynamic ensemble of DNA duplexes containing m1A

    Science.gov (United States)

    Sathyamoorthy, Bharathwaj; Shi, Honglue; Zhou, Huiqing; Xue, Yi; Rangadurai, Atul; Merriman, Dawn K.

    2017-01-01

    Abstract In the canonical DNA double helix, Watson–Crick (WC) base pairs (bps) exist in dynamic equilibrium with sparsely populated (∼0.02–0.4%) and short-lived (lifetimes ∼0.2–2.5 ms) Hoogsteen (HG) bps. To gain insights into transient HG bps, we used solution-state nuclear magnetic resonance spectroscopy, including measurements of residual dipolar couplings and molecular dynamics simulations, to examine how a single HG bp trapped using the N1-methylated adenine (m1A) lesion affects the structural and dynamic properties of two duplexes. The solution structure and dynamic ensembles of the duplexes reveals that in both cases, m1A forms a m1A•T HG bp, which is accompanied by local and global structural and dynamic perturbations in the double helix. These include a bias toward the BI backbone conformation; sugar repuckering, major-groove directed kinking (∼9°); and local melting of neighboring WC bps. These results provide atomic insights into WC/HG breathing dynamics in unmodified DNA duplexes as well as identify structural and dynamic signatures that could play roles in m1A recognition and repair. PMID:28369571

  10. Structure from Dynamics: Vibrational Dynamics of Interfacial Water as a Probe of Aqueous Heterogeneity

    Science.gov (United States)

    2018-01-01

    The structural heterogeneity of water at various interfaces can be revealed by time-resolved sum-frequency generation spectroscopy. The vibrational dynamics of the O–H stretch vibration of interfacial water can reflect structural variations. Specifically, the vibrational lifetime is typically found to increase with increasing frequency of the O–H stretch vibration, which can report on the hydrogen-bonding heterogeneity of water. We compare and contrast vibrational dynamics of water in contact with various surfaces, including vapor, biomolecules, and solid interfaces. The results reveal that variations in the vibrational lifetime with vibrational frequency are very typical, and can frequently be accounted for by the bulk-like heterogeneous response of interfacial water. Specific interfaces exist, however, for which the behavior is less straightforward. These insights into the heterogeneity of interfacial water thus obtained contribute to a better understanding of complex phenomena taking place at aqueous interfaces, such as photocatalytic reactions and protein folding. PMID:29490138

  11. The effect of point mutations on structure and mechanical properties of collagen-like fibril: A molecular dynamics study

    Energy Technology Data Exchange (ETDEWEB)

    Marlowe, Ashley E.; Singh, Abhishek; Yingling, Yaroslava G., E-mail: yara_yingling@ncsu.edu

    2012-12-01

    Understanding sequence dependent mechanical and structural properties of collagen fibrils is important for the development of artificial biomaterials for medical and nanotechnological applications. Moreover, point mutations are behind many collagen associated diseases, including Osteogenesis Imperfecta (OI). We conducted a combination of classical and steered atomistic molecular dynamics simulations to examine the effect of point mutations on structure and mechanical properties of short collagen fibrils which include mutations of glycine to alanine, aspartic acid, cysteine, and serine or mutations of hydroxyproline to arginine, asparagine, glutamine, and lysine. We found that all mutations disrupt structure and reduce strength of the collagen fibrils, which may affect the hierarchical packing of the fibrils. The glycine mutations were more detrimental to mechanical strength of the fibrils (WT > Ala > Ser > Cys > Asp) than that of hydroxyproline (WT > Arg > Gln > Asn > Lys). The clinical outcome for glycine mutations agrees well with the trend in reduction of fibril's tensile strength predicted by our simulations. Overall, our results suggest that the reduction in mechanical properties of collagen fibrils may be used to predict the clinical outcome of mutations. Highlights: Black-Right-Pointing-Pointer All mutations disrupt structure and bonding pattern and reduce strength of the collagen fibrils. Black-Right-Pointing-Pointer Gly based mutations are worst to mechanical integrity of fibrils than that of Hyp. Black-Right-Pointing-Pointer Lys and Arg mutations most dramatically destabilize collagen fibril properties. Black-Right-Pointing-Pointer Clinical outcome of mutations may be related to the reduced mechanical properties of fibrils.

  12. Ultrafast Dynamic Pressure Sensors Based on Graphene Hybrid Structure.

    Science.gov (United States)

    Liu, Shanbiao; Wu, Xing; Zhang, Dongdong; Guo, Congwei; Wang, Peng; Hu, Weida; Li, Xinming; Zhou, Xiaofeng; Xu, Hejun; Luo, Chen; Zhang, Jian; Chu, Junhao

    2017-07-19

    Mechanical flexible electronic skin has been focused on sensing various physical parameters, such as pressure and temperature. The studies of material design and array-accessible devices are the building blocks of strain sensors for subtle pressure sensing. Here, we report a new and facile preparation of a graphene hybrid structure with an ultrafast dynamic pressure response. Graphene oxide nanosheets are used as a surfactant to prevent graphene restacking in aqueous solution. This graphene hybrid structure exhibits a frequency-independent pressure resistive sensing property. Exceeding natural skin, such pressure sensors, can provide transient responses from static up to 10 000 Hz dynamic frequencies. Integrated by the controlling system, the array-accessible sensors can manipulate a robot arm and self-rectify the temperature of a heating blanket. This may pave a path toward the future application of graphene-based wearable electronics.

  13. Musical structure analysis using similarity matrix and dynamic programming

    Science.gov (United States)

    Shiu, Yu; Jeong, Hong; Kuo, C.-C. Jay

    2005-10-01

    Automatic music segmentation and structure analysis from audio waveforms based on a three-level hierarchy is examined in this research, where the three-level hierarchy includes notes, measures and parts. The pitch class profile (PCP) feature is first extracted at the note level. Then, a similarity matrix is constructed at the measure level, where a dynamic time warping (DTW) technique is used to enhance the similarity computation by taking the temporal distortion of similar audio segments into account. By processing the similarity matrix, we can obtain a coarse-grain music segmentation result. Finally, dynamic programming is applied to the coarse-grain segments so that a song can be decomposed into several major parts such as intro, verse, chorus, bridge and outro. The performance of the proposed music structure analysis system is demonstrated for pop and rock music.

  14. Allee’s dynamics and bifurcation structures in von Bertalanffy’s population size functions

    Science.gov (United States)

    Leonel Rocha, J.; Taha, Abdel-Kaddous; Fournier-Prunaret, D.

    2018-03-01

    The interest and the relevance of the study of the population dynamics and the extinction phenomenon are our main motivation to investigate the induction of Allee Effect in von Bertalanffy’s population size functions. The adjustment or correction factor of rational type introduced allows us to analyze simultaneously strong and weak Allee’s functions and functions with no Allee effect, whose classification is dependent on the stability of the fixed point x = 0. This classification is founded on the concepts of strong and weak Allee’s effects to the population growth rates associated. The transition from strong Allee effect to no Allee effect, passing through the weak Allee effect, is verified with the evolution of the rarefaction critical density or Allee’s limit. The existence of cusp points on a fold bifurcation curve is related to this phenomenon of transition on Allee’s dynamics. Moreover, the “foliated” structure of the parameter plane considered is also explained, with respect to the evolution of the Allee limit. The bifurcation analysis is based on the configurations of fold and flip bifurcation curves. The chaotic semistability and the nonadmissibility bifurcation curves are proposed to this family of 1D maps, which allow us to define and characterize the corresponding Allee effect region.

  15. Statistics and Dynamics in the Large-scale Structure of the Universe

    International Nuclear Information System (INIS)

    Matsubara, Takahiko

    2006-01-01

    In cosmology, observations and theories are related to each other by statistics in most cases. Especially, statistical methods play central roles in analyzing fluctuations in the universe, which are seeds of the present structure of the universe. The confrontation of the statistics and dynamics is one of the key methods to unveil the structure and evolution of the universe. I will review some of the major statistical methods in cosmology, in connection with linear and nonlinear dynamics of the large-scale structure of the universe. The present status of analyses of the observational data such as the Sloan Digital Sky Survey, and the future prospects to constrain the nature of exotic components of the universe such as the dark energy will be presented

  16. Gauge-invariant cosmic structures---A dynamic systems approach

    International Nuclear Information System (INIS)

    Woszczyna, A.

    1992-01-01

    Gravitational instability is expressed in terms of the dynamic systems theory. The gauge-invariant Ellis-Bruni equation and Bardeen's equation are discussed in detail. It is shown that in an open universe filled with matter of constant sound velocity the Jeans criterion does not adequately define the length scale of the gravitational structure

  17. A general modeling framework for describing spatially structured population dynamics

    Science.gov (United States)

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

    2017-01-01

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

  18. On R factors for dynamic structure crystallography

    DEFF Research Database (Denmark)

    Coppens, Philip; Kaminski, Radoslaw; Schmøkel, Mette Stokkebro

    2010-01-01

    In studies of dynamic changes in crystals in which induced metastable species may have lifetimes of microseconds or less, refinements are most sensitive if based on the changes induced in the measured intensities. Agreement factors appropriate for such refinements, based on the ratios of the inte...... of the intensities before and after the external perturbation is applied, are discussed and compared with R factors commonly applied in static structure crystallography....

  19. Comparison of Poisson structures and Poisson-Lie dynamical r-matrices

    OpenAIRE

    Enriquez, B.; Etingof, P.; Marshall, I.

    2004-01-01

    We construct a Poisson isomorphism between the formal Poisson manifolds g^* and G^*, where g is a finite dimensional quasitriangular Lie bialgebra. Here g^* is equipped with its Lie-Poisson (or Kostant-Kirillov-Souriau) structure, and G^* with its Poisson-Lie structure. We also quantize Poisson-Lie dynamical r-matrices of Balog-Feher-Palla.

  20. Nuclear quantum effects on the structure and the dynamics of [H2O]8 at low temperatures

    International Nuclear Information System (INIS)

    Videla, Pablo E.; Rossky, Peter J.; Laria, D.

    2013-01-01

    We use ring-polymer-molecular-dynamics (RPMD) techniques and the semi-empirical q-TIP4P/F water model to investigate the relationship between hydrogen bond connectivity and the characteristics of nuclear position fluctuations, including explicit incorporation of quantum effects, for the energetically low lying isomers of the prototype cluster [H 2 O] 8 at T = 50 K and at 150 K. Our results reveal that tunneling and zero-point energy effects lead to sensible increments in the magnitudes of the fluctuations of intra and intermolecular distances. The degree of proton spatial delocalization is found to map logically with the hydrogen-bond connectivity pattern of the cluster. Dangling hydrogen bonds exhibit the largest extent of spatial delocalization and participate in shorter intramolecular O-H bonds. Combined effects from quantum and polarization fluctuations on the resulting individual dipole moments are also examined. From the dynamical side, we analyze the characteristics of the infrared absorption spectrum. The incorporation of nuclear quantum fluctuations promotes red shifts and sensible broadening relative to the classical profile, bringing the simulation results in much more satisfactory agreement with direct experimental information in the mid and high frequency range of the stretching band. While RPMD predictions overestimate the peak position of the low frequency shoulder, the overall agreement with that reported using an accurate, parameterized, many-body potential is reasonable, and far superior to that one obtains by implementing a partially adiabatic centroid molecular dynamics approach. Quantum effects on the collective dynamics, as reported by instantaneous normal modes, are also discussed

  1. Map updates in a dynamic Voronoi data structure

    DEFF Research Database (Denmark)

    Mioc, Darka; Antón Castro, Francesc/François; Gold, C. M.

    2006-01-01

    In this paper we are using local and sequential map updates in the Voronoi data structure, which allows us to automatically record each event and performed map updates within the system. These map updates are executed through map construction commands that are composed of atomic actions (geometric...... algorithms for addition, deletion, and motion of spatial objects) on the dynamic Voronoi data structure. The formalization of map commands led to the development of a spatial language comprising a set of atomic operations or constructs on spatial primitives (points and lines), powerful enough to define...

  2. Effects prediction guidelines for structures subjected to ground motion

    International Nuclear Information System (INIS)

    1975-07-01

    Part of the planning for an underground nuclear explosion (UNE) is determining the effects of expected ground motion on exposed structures. Because of the many types of structures and the wide variation in ground motion intensity typically encountered, no single prediction method is both adequate and feasible for a complete evaluation. Furthermore, the nature and variability of ground motion and structure damage prescribe effects predictions that are made probabilistically. Initially, prediction for a UNE involves a preliminary assessment of damage to establish overall project feasibility. Subsequent efforts require more detailed damage evaluations, based on structure inventories and analyses of specific structures, so that safety problems can be identified and safety and remedial measures can be recommended. To cover this broad range of effects prediction needs for a typical UNE project, three distinct but interrelated methods have been developed and are described. First, the fundamental practical and theoretical aspects of predicting the effects of dynamic ground motion on structures are summarized. Next, experimentally derived and theoretically determined observations of the behavior of typical structures subjected to ground motion are presented. Then, based on these fundamental considerations and on the observed behavior of structures, the formulation of the three effects prediction procedures is described, along with guidelines regarding their applicability. Example damage predictions for hypothetical UNEs demonstrate these procedures. To aid in identifying the vibration properties of complex structures, one chapter discusses alternatives in vibration testing, instrumentation, and data analysis. Finally, operational guidelines regarding data acquisition procedures, safety criteria, and remedial measures involved in conducting structure effects evaluations are discussed. (U.S.)

  3. Diagnostic tool for structural health monitoring: effect of material nonlinearity and vibro-impact process

    Science.gov (United States)

    Hiwarkar, V. R.; Babitsky, V. I.; Silberschmidt, V. V.

    2013-07-01

    Numerous techniques are available for monitoring structural health. Most of these techniques are expensive and time-consuming. In this paper, vibration-based techniques are explored together with their use as diagnostic tools for structural health monitoring. Finite-element simulations are used to study the effect of material nonlinearity on dynamics of a cracked bar. Additionally, several experiments are performed to study the effect of vibro-impact behavior of crack on its dynamics. It was observed that a change in the natural frequency of the cracked bar due to crack-tip plasticity and vibro-impact behavior linked to interaction of crack faces, obtained from experiments, led to generation of higher harmonics; this can be used as a diagnostic tool for structural health monitoring.

  4. Structure and Dynamics of Ionic Liquid [MMIM][Br] Confined in Hydrophobic and Hydrophilic Porous Matrices: A Molecular Dynamics Simulation Study.

    Science.gov (United States)

    Sharma, Anirban; Ghorai, Pradip Kr

    2016-11-17

    The effects of confinement on the structural and dynamical properties of the ionic liquid (IL) 1,3-dimethylimidazolium bromide ([MMIM][Br]) have been investigated by molecular dynamics simulations. We used zeolite faujasite (NaY) as a hydrophilic confinement and dealuminated faujasite (DAY) as a hydrophobic confinement. The presence of an extra framework cation, [Na + ], in NaY makes the host hydrophilic, whereas DAY, with no extra framework cation, is hydrophobic. Although both NaY and DAY have almost similar structures, the IL showed markedly different structural and dynamical properties in these confinements and in bulk. In the confinements, the cation-cation radial distribution function, which strongly depends on temperature, exhibits a layer-like structure, whereas in bulk, it shows a liquid-like structure that hardly depends on temperature. Although the interaction between [MMIM] + and Br - in DAY is stronger than that in both NaY and bulk, the strength of the interaction between them is almost invariant with temperature. Both [MMIM] + and Br - strongly interact with Na + of the host, and their interaction strongly depends on temperature, whereas the interaction of the IL with Si and O is very weak and invariant with temperature. In bulk, the self-diffusion coefficient, [D], of both [MMIM] + and Br - increases exponentially with temperature, and the D of the cation is slightly higher than that of the anion at all studied temperatures, whereas in the confinements, [MMIM] + moves much faster than Br - . For example, in the hydrophilic confinement, the D of the cation is 20-30 times higher than that of the anion. The D of both the ions decreases significantly in the confinements as compared to that in bulk. During diffusion, [MMIM] + diffuses closer to the inner surface in the hydrophilic confinement than that in the hydrophobic confinement. The diffusion pathway imperceptibly depends on temperature but strongly depends on the nature of the confinement. The self

  5. Langevin dynamics for ramified structures

    Science.gov (United States)

    Méndez, Vicenç; Iomin, Alexander; Horsthemke, Werner; Campos, Daniel

    2017-06-01

    We propose a generalized Langevin formalism to describe transport in combs and similar ramified structures. Our approach consists of a Langevin equation without drift for the motion along the backbone. The motion along the secondary branches may be described either by a Langevin equation or by other types of random processes. The mean square displacement (MSD) along the backbone characterizes the transport through the ramified structure. We derive a general analytical expression for this observable in terms of the probability distribution function of the motion along the secondary branches. We apply our result to various types of motion along the secondary branches of finite or infinite length, such as subdiffusion, superdiffusion, and Langevin dynamics with colored Gaussian noise and with non-Gaussian white noise. Monte Carlo simulations show excellent agreement with the analytical results. The MSD for the case of Gaussian noise is shown to be independent of the noise color. We conclude by generalizing our analytical expression for the MSD to the case where each secondary branch is n dimensional.

  6. Aggregate size and structure determination of nanomaterials in physiological media: importance of dynamic evolution

    Science.gov (United States)

    Afrooz, A. R. M. Nabiul; Hussain, Saber M.; Saleh, Navid B.

    2014-12-01

    Most in vitro nanotoxicological assays are performed after 24 h exposure. However, in determining size and shape effect of nanoparticles in toxicity assays, initial characterization data are generally used to describe experimental outcome. The dynamic size and structure of aggregates are typically ignored in these studies. This brief communication reports dynamic evolution of aggregation characteristics of gold nanoparticles. The study finds that gradual increase in aggregate size of gold nanospheres (AuNS) occurs up to 6 h duration; beyond this time period, the aggregation process deviates from gradual to a more abrupt behavior as large networks are formed. Results of the study also show that aggregated clusters possess unique structural conformation depending on nominal diameter of the nanoparticles. The differences in fractal dimensions of the AuNS samples likely occurred due to geometric differences, causing larger packing propensities for smaller sized particles. Both such observations can have profound influence on dosimetry for in vitro nanotoxicity analyses.

  7. Aggregate size and structure determination of nanomaterials in physiological media: importance of dynamic evolution

    International Nuclear Information System (INIS)

    Afrooz, A. R. M. Nabiul; Hussain, Saber M.; Saleh, Navid B.

    2014-01-01

    Most in vitro nanotoxicological assays are performed after 24 h exposure. However, in determining size and shape effect of nanoparticles in toxicity assays, initial characterization data are generally used to describe experimental outcome. The dynamic size and structure of aggregates are typically ignored in these studies. This brief communication reports dynamic evolution of aggregation characteristics of gold nanoparticles. The study finds that gradual increase in aggregate size of gold nanospheres (AuNS) occurs up to 6 h duration; beyond this time period, the aggregation process deviates from gradual to a more abrupt behavior as large networks are formed. Results of the study also show that aggregated clusters possess unique structural conformation depending on nominal diameter of the nanoparticles. The differences in fractal dimensions of the AuNS samples likely occurred due to geometric differences, causing larger packing propensities for smaller sized particles. Both such observations can have profound influence on dosimetry for in vitro nanotoxicity analyses.Graphical Abstract

  8. Aggregate size and structure determination of nanomaterials in physiological media: importance of dynamic evolution

    Energy Technology Data Exchange (ETDEWEB)

    Afrooz, A. R. M. Nabiul [The University of Texas, Civil, Architectural and Environmental Engineering (United States); Hussain, Saber M. [Wright-Patterson AFB, Human Effectiveness Directorate, 711th Human Performance Wing, Air Force Research Laboratory (United States); Saleh, Navid B., E-mail: navid.saleh@utexas.edu [The University of Texas, Civil, Architectural and Environmental Engineering (United States)

    2014-12-15

    Most in vitro nanotoxicological assays are performed after 24 h exposure. However, in determining size and shape effect of nanoparticles in toxicity assays, initial characterization data are generally used to describe experimental outcome. The dynamic size and structure of aggregates are typically ignored in these studies. This brief communication reports dynamic evolution of aggregation characteristics of gold nanoparticles. The study finds that gradual increase in aggregate size of gold nanospheres (AuNS) occurs up to 6 h duration; beyond this time period, the aggregation process deviates from gradual to a more abrupt behavior as large networks are formed. Results of the study also show that aggregated clusters possess unique structural conformation depending on nominal diameter of the nanoparticles. The differences in fractal dimensions of the AuNS samples likely occurred due to geometric differences, causing larger packing propensities for smaller sized particles. Both such observations can have profound influence on dosimetry for in vitro nanotoxicity analyses.Graphical Abstract.

  9. Structure and dynamics of concentrated dispersions of polystyrene latex spheres in glycerol: Static and dynamic x-ray scattering

    International Nuclear Information System (INIS)

    Lumma, D.; Lurio, L. B.; Borthwick, M. A.; Falus, P.; Mochrie, S. G. J.

    2000-01-01

    X-ray photon correlation spectroscopy and small-angle x-ray scattering measurements are applied to characterize the dynamics and structure of concentrated suspensions of charge-stabilized polystyrene latex spheres dispersed in glycerol, for volume fractions between 2.7% and 52%. The static structures of the suspensions show essentially hard-sphere behavior. The short-time dynamics shows good agreement with predictions for the wave-vector-dependent collective diffusion coefficient, which are based on a hard-sphere model [C. W. J. Beenakker and P. Mazur, Physica A 126, 349 (1984)]. However, the intermediate scattering function is found to violate a scaling behavior found previously for a sterically stabilized hard-sphere suspension [P. N. Segre and P. N. Pusey, Phys. Rev. Lett. 77, 771 (1996)]. Our measurements are parametrized in terms of a viscoelastic model for the intermediate scattering function [W. Hess and R. Klein, Adv. Phys. 32, 173 (1983)]. Within this framework, two relaxation modes are predicted to contribute to the decay of the dynamic structure factor, with mode amplitudes depending on both wave vector and volume fraction. Our measurements indicate that, for particle volume fractions smaller than about 0.30, the intermediate scattering function is well described in terms of single-exponential decays, whereas a double-mode structure becomes apparent for more concentrated systems

  10. Extension of the pseudo dynamic method to test structures with distributed mass

    International Nuclear Information System (INIS)

    Renda, V.; Papa, L.; Bellorini, S.

    1993-01-01

    The PsD method is a mixed numerical and experimental procedure. At each time step the dynamic deformation of the structure, computed by solving the equation of the motion for a given input signal, is reproduced in the laboratory by means of actuators attached to the sample at specific points. The reaction forces at those points are measured and used to compute the deformation for the next time step. The reaction forces being known, knowledge of the stiffness of the structure is not needed, so that the method can be effective also for deformations leading to strong nonlinear behaviour of the structure. On the contrary, the mass matrix and the applied forces must be well known. For this reason the PsD method can be applied without approximations when the masses can be considered as lumped at the testing points of the sample. The present work investigates the possibility to extend the PsD method to test structures with distributed mass. A standard procedure is proposed to provide an equivalent mass matrix and force vector reduced to the testing points and to verify the reliability of the model. The verification is obtained comparing the results of multi-degrees of freedom dynamic analysis, done by means of a Finite Elements (FE) numerical program, with a simulation of the PsD method based on the reduced degrees of freedom mass matrix and external forces, assuming in place of the experimental reactions, those computed with the general FE model. The method has been applied to a numerical simulation of the behaviour of a realistic and complex structure with distributed mass consisting of a masonry building of two floors. The FE model consists of about two thousand degrees of freedom and the condensation has been made for four testing points. A dynamic analysis has been performed with the general FE model and the reactions of the structure have been recorded in a file and used as input for the PsD simulation with the four degree of freedom model. The comparison between

  11. Dynamic behavior of cellular materials and cellular structures: Experiments and modeling

    Science.gov (United States)

    Gao, Ziyang

    Cellular solids, including cellular materials and cellular structures (CMS), have attracted people's great interests because of their low densities and novel physical, mechanical, thermal, electrical and acoustic properties. They offer potential for lightweight structures, energy absorption, thermal management, etc. Therefore, the studies of cellular solids have become one of the hottest research fields nowadays. From energy absorption point of view, any plastically deformed structures can be divided into two types (called type I and type II), and the basic cells of the CMS may take the configurations of these two types of structures. Accordingly, separated discussions are presented in this thesis. First, a modified 1-D model is proposed and numerically solved for a typical type II structure. Good agreement is achieved with the previous experimental data, hence is used to simulate the dynamic behavior of a type II chain. Resulted from different load speeds, interesting collapse modes are observed, and the parameters which govern the cell's post-collapse behavior are identified through a comprehensive non-dimensional analysis on general cellular chains. Secondly, the MHS specimens are chosen as an example of type I foam materials because of their good uniformity of the cell geometry. An extensive experimental study was carried out, where more attention was paid to their responses to dynamic loadings. Great enhancement of the stress-strain curve was observed in dynamic cases, and the energy absorption capacity is found to be several times higher than that of the commercial metal foams. Based on the experimental study, finite elemental simulations and theoretical modeling are also conducted, achieving good agreements and demonstrating the validities of those models. It is believed that the experimental, numerical and analytical results obtained in the present study will certainly deepen the understanding of the unsolved fundamental issues on the mechanical behavior of

  12. The effect of deposition energy of energetic atoms on the growth and structure of ultrathin amorphous carbon films studied by molecular dynamics simulations

    KAUST Repository

    Wang, N; Komvopoulos, K

    2014-01-01

    The growth and structure of ultrathin amorphous carbon films was investigated by molecular dynamics simulations. The second-generation reactive-empirical-bond-order potential was used to model atomic interactions. Films with different structures

  13. Fluorescence relaxation spectroscopy : light on dynamical structures of flavoproteins</