WorldWideScience

Sample records for dislocation dynamics modelling

  1. Dislocation climb models from atomistic scheme to dislocation dynamics

    OpenAIRE

    Niu, Xiaohua; Luo, Tao; Lu, Jianfeng; Xiang, Yang

    2016-01-01

    We develop a mesoscopic dislocation dynamics model for vacancy-assisted dislocation climb by upscalings from a stochastic model on the atomistic scale. Our models incorporate microscopic mechanisms of (i) bulk diffusion of vacancies, (ii) vacancy exchange dynamics between bulk and dislocation core, (iii) vacancy pipe diffusion along the dislocation core, and (iv) vacancy attachment-detachment kinetics at jogs leading to the motion of jogs. Our mesoscopic model consists of the vacancy bulk dif...

  2. Modeling of dislocation dynamics in germanium Czochralski growth

    Science.gov (United States)

    Artemyev, V. V.; Smirnov, A. D.; Kalaev, V. V.; Mamedov, V. M.; Sidko, A. P.; Podkopaev, O. I.; Kravtsova, E. D.; Shimansky, A. F.

    2017-06-01

    Obtaining very high-purity germanium crystals with low dislocation density is a practically difficult problem, which requires knowledge and experience in growth processes. Dislocation density is one of the most important parameters defining the quality of germanium crystal. In this paper, we have performed experimental study of dislocation density during 4-in. germanium crystal growth using the Czochralski method and comprehensive unsteady modeling of the same crystal growth processes, taking into account global heat transfer, melt flow and melt/crystal interface shape evolution. Thermal stresses in the crystal and their relaxation with generation of dislocations within the Alexander-Haasen model have been calculated simultaneously with crystallization dynamics. Comparison to experimental data showed reasonable agreement for the temperature, interface shape and dislocation density in the crystal between calculation and experiment.

  3. A discrete dislocation dynamics model of creeping single crystals

    Science.gov (United States)

    Rajaguru, M.; Keralavarma, S. M.

    2018-04-01

    Failure by creep is a design limiting issue for metallic materials used in several high temperature applications. Current theoretical models of creep are phenomenological with little connection to the underlying microscopic mechanisms. In this paper, a bottom-up simulation framework based on the discrete dislocation dynamics method is presented for dislocation creep aided by the diffusion of vacancies, known to be the rate controlling mechanism at high temperature and stress levels. The time evolution of the creep strain and the dislocation microstructure in a periodic unit cell of a nominally infinite single crystal is simulated using the kinetic Monte Carlo method, together with approximate constitutive laws formulated for the rates of thermal activation of dislocations over local pinning obstacles. The deformation of the crystal due to dislocation glide between individual thermal activation events is simulated using a standard dislocation dynamics algorithm, extended to account for constant stress periodic boundary conditions. Steady state creep conditions are obtained in the simulations with the predicted creep rates as a function of stress and temperature in good agreement with experimentally reported values. Arrhenius scaling of the creep rates as a function of temperature and power-law scaling with the applied stress are also reproduced, with the values of the power-law exponents in the high stress regime in good agreement with experiments.

  4. Dislocation-dynamics method

    International Nuclear Information System (INIS)

    Van Brutzel, L.

    2015-01-01

    Dislocation-Dynamics (DD) technique is identified as the method able to model the evolution of material plastic properties as a function of the microstructural transformation predicted at the atomic scale. Indeed, it is the only simulation method capable of taking into account the collective behaviour of a large number of dislocations inside a realistic microstructure. DD simulations are based on the elastic dislocation theory following rules inherent to the dislocation core structure often call 'local rules'. All the data necessary to establish the local rules for DD have to come directly from experiment or alternatively from simulations carried out at the atomic scale such as molecular dynamics or ab initio calculations. However, no precise information on the interaction between two dislocations or between dislocations and defects induced by irradiation are available for nuclear fuels. Therefore, in this article the DD technique will be presented and some examples are given of what can be achieved with it. (author)

  5. Dislocation dynamics modelling of the ductile-brittle-transition

    International Nuclear Information System (INIS)

    Hennecke, Thomas; Haehner, Peter

    2009-01-01

    Many materials like silicon, tungsten or ferritic steels show a transition between high temperature ductile fracture with stable crack grow and high deformation energy absorption and low temperature brittle fracture in an unstable and low deformation mode, the ductile-brittle-transition. Especially in steels, the temperature transition is accompanied by a strong increase of the measured fracture toughness over a certain temperature range and strong scatter in the toughness data in this transition regime. The change in fracture modes is affected by dynamic interactions between dislocations and the inhomogeneous stress fields of notches and small cracks. In the present work a dislocation dynamics model for the ductile-brittle-transition is proposed, which takes those interactions into account. The model can explain an increase with temperature of apparent toughness in the quasi-brittle regime and different levels of scatter in the different temperature regimes. Furthermore it can predict changing failure sites in materials with heterogeneous microstructure. Based on the model, the effects of crack tip blunting, stress state, external strain rate and irradiation-induced changes in the plastic flow properties can be discussed.

  6. Dislocation dynamics modelling of radiation damage in thin films

    International Nuclear Information System (INIS)

    Ferroni, Francesco; Tarleton, Edmund; Fitzgerald, Steven

    2014-01-01

    Transmission electron microscopy is a key tool for the extraction of information on radiation damage, the understanding of which is critical for materials development for nuclear fusion and fission reactors. Dislocations in TEM samples are subject to strong image forces, owing to the nanometric sample thicknesses, which may introduce artifacts in the damage analysis. Using dislocation dynamics, we elucidate the roles played by dislocation–surface interactions, dislocation–dislocation interactions and self-interactions due to climb for loop types observed in TEM. Comparisons with analytic solutions for a dislocation loop and an edge dislocation in a half-space are included, and the relationship between glide force and loop tilt examined. The parameters for convergence of the zero-traction boundary conditions are obtained, after which the evolution of dislocation structures in a thin film is studied. It is found that three main length scales govern the physical processes: the image force is governed by the distance of the loop from the surface and scales with the film thickness; the glide force is governed by the image stress as well as the loop–loop interaction stress which is in turn governed by the loop spacing L∼1/√ρ, where ρ is the loop density; finally, the climb force depends on the loop size. The three forces compete and their relative magnitudes define the evolution pathway of the dislocation structure. (paper)

  7. A three dimensional discrete dislocation dynamics modelling of the early cycles of fatigue in an austenitic stainless steel 316L: dislocation microstructure and damage analysis

    International Nuclear Information System (INIS)

    Depres, Ch.

    2005-01-01

    A numerical code modelling the collective behaviour of dislocations at a mesoscopic scale (Discrete Dislocation Dynamics code) is used to analyse the cyclic plasticity that occurs in surface grains of an AISI 316L stainless steel, in order to understand the plastic mechanism involved in crack initiation in fatigue. Firstly, the analyses of both the formation and the evolution of the dislocation microstructures show the crucial role of cross-slip played in the strain localization in the form of slip bands. As the cycling proceeds, the slip bands exhibit well-organized dislocation arrangements that substitute to dislocation tangles, involving specific interaction mechanisms between primary and deviate systems. Secondly, both the surface displacements generated by plastic slip and the distortion energy induced by the dislocation microstructure have been analysed. We find that an irreversible surface relief in the form of extrusion/intrusion can be induced by cyclic slip of dislocations. The number of cycles for the crack initiation follows a Manson-Coffin type law. The analyses of the concentration of the distortion energy and its repartition in the slip bands show that beneficial energetic zones may be present at the very beginning of the cycling, and that mode-II crack propagation in the surface grains results from a succession of micro-crack initiations along primary slip plane, which is facilitated by various effects (stress concentration due to surface relief, environment effects...). Finally, a dislocation-based model for cyclic plasticity is proposed from Discrete Dislocation Dynamics results. (author)

  8. Dislocation Dynamics During Plastic Deformation

    CERN Document Server

    Messerschmidt, Ulrich

    2010-01-01

    The book gives an overview of the dynamic behavior of dislocations and its relation to plastic deformation. It introduces the general properties of dislocations and treats the dislocation dynamics in some detail. Finally, examples are described of the processes in different classes of materials, i.e. semiconductors, ceramics, metals, intermetallic materials, and quasicrystals. The processes are illustrated by many electron micrographs of dislocations under stress and by video clips taken during in situ straining experiments in a high-voltage electron microscope showing moving dislocations. Thus, the users of the book also obtain an immediate impression and understanding of dislocation dynamics.

  9. Mobile application MDDCS for modeling the expansion dynamics of a dislocation loop in FCC metals

    Science.gov (United States)

    Kirilyuk, Vasiliy; Petelin, Alexander; Eliseev, Andrey

    2017-11-01

    A mobile version of the software package Dynamic Dislocation of Crystallographic Slip (MDDCS) designed for modeling the expansion dynamics of dislocation loops and formation of a crystallographic slip zone in FCC-metals is examined. The paper describes the possibilities for using MDDCS, the application interface, and the database scheme. The software has a simple and intuitive interface and does not require special training. The user can set the initial parameters of the experiment, carry out computational experiments, export parameters and results of the experiment into separate text files, and display the experiment results on the device screen.

  10. Empirical potential and elasticity theory modelling of interstitial dislocation loops in UO2 for cluster dynamics application

    International Nuclear Information System (INIS)

    Le-Prioux, Arno

    2017-01-01

    During irradiation in reactor, the microstructure of UO 2 changes and deteriorates, causing modifications of its physical and mechanical properties. The kinetic models used to describe these changes such as cluster dynamics (CRESCENDO calculation code) consider the main microstructural elements that are cavities and interstitial dislocation loops, and provide a rather rough description of the loop thermodynamics. In order to tackle this issue, this work has led to the development of a thermodynamic model of interstitial dislocation loops based on empirical potential calculations. The model considers two types of interstitial dislocation loops on two different size domains: Type 1: Dislocation loops similar to Frank partials in F.C.C. materials which are stable in the smaller size domain. Type 2: Perfect dislocation loops of Burgers vector (a/2)(110) stable in the larger size domain. The analytical formula used to compute the interstitial dislocation loop formation energies is the one for circular loops which has been modified in order to take into account the effects of the dislocation core, which are significant at smaller sizes. The parameters have been determined by empirical potential calculations of the formation energies of prismatic pure edge dislocation loops. The effect of the habit plane reorientation on the formation energies of perfect dislocation loops has been taken into account by a simple interpolation method. All the different types of loops seen during TEM observations are thus accounted for by the model. (author) [fr

  11. Atomistic simulation of hydrogen dynamics near dislocations in vanadium hydrides

    International Nuclear Information System (INIS)

    Ogawa, Hiroshi

    2015-01-01

    Highlights: • Hydrogen–dislocation interaction was simulated by molecular dynamics method. • Different distribution of H atoms were observed at edge and screw dislocation. • Planner distribution of hydrogen may be caused by partialized edge dislocation. • Hydrogen diffusivity was reduced in both edge and screw dislocation models. • Pipe diffusion was observed for edge dislocation but not for screw dislocation. - Abstract: Kinetics of interstitial hydrogen atoms near dislocation cores were analyzed by atomistic simulation. Classical molecular dynamics method was applied to model structures of edge and screw dislocations in α-phase vanadium hydride. Simulation showed that hydrogen atoms aggregate near dislocation cores. The spatial distribution of hydrogen has a planner shape at edge dislocation due to dislocation partialization, and a cylindrical shape at screw dislocation. Simulated self-diffusion coefficients of hydrogen atoms in dislocation models were a half- to one-order lower than that of dislocation-free model. Arrhenius plot of self-diffusivity showed slightly different activation energies for edge and screw dislocations. Directional dependency of hydrogen diffusion near dislocation showed high and low diffusivity along edge and screw dislocation lines, respectively, hence so called ‘pipe diffusion’ possibly occur at edge dislocation but does not at screw dislocation

  12. Dynamic aspects of dislocation motion: atomistic simulations

    International Nuclear Information System (INIS)

    Bitzek, Erik; Gumbsch, Peter

    2005-01-01

    Atomistic simulations of accelerating edge and screw dislocations were carried out to study the dynamics of dislocations in a face centered cubic metal. Using two different embedded atom potentials for nickel and a simple slab geometry, the Peierls stress, the effective mass, the line tension and the drag coefficient were determined. A dislocation intersecting an array of voids is used to study dynamic effects in dislocation-obstacle interactions. A pronounced effect caused by inertial overshooting is found. A dynamic line tension model is developed which reproduces the simulation results. The model can be used to easily estimate the magnitude of inertial effects in the interaction of dislocations with localized obstacles for different obstacle strengths, -spacings and temperatures

  13. Generalized dynamics of moving dislocations in quasicrystals

    International Nuclear Information System (INIS)

    Agiasofitou, Eleni; Lazar, Markus; Kirchner, Helmut

    2010-01-01

    A theoretical framework for dislocation dynamics in quasicrystals is provided according to the continuum theory of dislocations. Firstly, we present the fundamental theory for moving dislocations in quasicrystals giving the dislocation density tensors and introducing the dislocation current tensors for the phonon and phason fields, including the Bianchi identities. Next, we give the equations of motion for the incompatible elastodynamics as well as for the incompatible elasto-hydrodynamics of quasicrystals. We continue with the derivation of the balance law of pseudomomentum thereby obtaining the generalized forms of the Eshelby stress tensor, the pseudomomentum vector, the dynamical Peach-Koehler force density and the Cherepanov force density for quasicrystals. The form of the dynamical Peach-Koehler force for a straight dislocation is obtained as well. Moreover, we deduce the balance law of energy that gives rise to the generalized forms of the field intensity vector and the elastic power density of quasicrystals. The above balance laws are produced for both models. The differences between the two models and their consequences are revealed. The influences of the phason fields as well as of the dynamical terms are also discussed.

  14. Ultrasonic Study of Dislocation Dynamics in Lithium -

    Science.gov (United States)

    Han, Myeong-Deok

    1987-09-01

    Experimental studies of dislocation dynamics in LiF single crystals, using ultrasonic techniques combined with dynamic loading, were performed to investigate the time evolution of the plastic deformation process under a short stress pulse at room temperature, and the temperature dependence of the dislocation damping mechanism in the temperature range 25 - 300(DEGREES)K. From the former, the time dependence of the ultrasonic attenuation was understood as resulting from dislocation multiplication followed by the evolution of mobile dislocations to immobile ones under large stress. From the latter, the temperature dependence of the ultrasonic attenuation was interpreted as due to the motion of the dislocation loops overcoming the periodic Peierls potential barrier in a manner analogous to the motion of a thermalized sine-Gordon chain under a small stress. The Peierls stress obtained from the experimental results by application of Seeger's relaxation model with exponential dislocation length distribution was 4.26MPa, which is consistent with the lowest stress for the linear relation between the dislocation velocity and stress observed by Flinn and Tinder.

  15. Dislocation-cavity interaction in Fe: a comparison between molecular dynamics and dislocation dynamics

    International Nuclear Information System (INIS)

    Hafez Haghighat, S.M.; Schaeublin, R.; Fivel, M.C.

    2007-01-01

    Full text of publication follows: multi-scale modeling, including molecular dynamics (MD) and discrete dislocation dynamics (DDD) methods, appears as a significant tool for the description of plasticity and mechanical properties of materials. This research is on the investigation of the subsequence effects of irradiation on the plasticity of pure Fe and focuses on the interaction of a single dislocation and a spherical cavity, as void or He bubble. Extensive MD simulations of the interaction under imposed strain rate [1, 2] have shown that various temperatures and cavity sizes result in different release stresses depending on dislocation bow out. It appears that a temperature increase and cavity size decrease reduce the cavity strength. MD simulation shows that the elastic field around the cavity is largely anisotropic. This anisotropy may influence the way the dislocation unpins from the cavity. Following the MD simulations, the interaction of a single dislocation and a spherical cavity is now simulated using a DDD discrete dislocation dynamics model. The simulation accounts for the non-Schmidt effect induced by the bcc structure of Fe through local rules derived from MD simulations [3]. The cavity is introduced in the simulation by computing the image forces using a finite element technique. The effective stress applied on the dislocation is then obtained as the superimposition of the applied stress field, the image stress field and the internal stresses. Note that such a model only uses elasticity theory and no core effect of dislocations is taken into account. One of the objectives of this work is to check whether elasticity is responsible of the behaviour observed by MD. Several cases are tested. First an edge dislocation in a (110) plane is pushed against the cavity under a pure shear loading. The local reaction of the dislocations and the cavity are compared to the MD simulations. Then, the case of a screw dislocation is studied. Finally, other loading

  16. Probing deformation substructure by synchrotron X-ray diffraction and dislocation dynamics modelling.

    Science.gov (United States)

    Korsunsky, Alexander M; Hofmann, Felix; Song, Xu; Eve, Sophie; Collins, Steve P

    2010-09-01

    Materials characterization at the nano-scale is motivated by the desire to resolve the structural aspects and deformation behavior at length scales relevant to those mechanisms that define the novel and unusual properties of nano-structured materials. A range of novel techniques has recently become accessible with the help of synchrotron X-ray beams that can be focused down to spot sizes of less than a few microns on the sample. The unique combination of tunability (energy selection), parallelism and brightness of synchrotron X-ray beams allows their use for high resolution diffraction (determination of crystal structure and transformations, analysis of dislocation sub-structures, orientation and texture analysis, strain mapping); small angle X-ray scattering (analysis of nano-scale voids and defects; orientation analysis) and imaging (radiography and tomography). After a brief review of the state-of-the-art capabilities for monochromatic and white beam synchrotron diffraction, we consider the usefulness of these techniques for the task of bridging the gap between experiment and modeling. Namely, we discuss how the experiments can be configured to provide information relevant to the validation and improvement of modeling approaches, and also how the results of various simulations can be post-processed to improve the possibility of (more or less) direct comparison with experiments. Using the example of some recent experiments carried out on beamline 116 at Diamond Light Source near Oxford, we discuss how such experimental results can be interpreted in view and in conjunction with numerical deformation models, particularly those incorporating dislocation effects, e.g., finite-element based pseudo-continuum strain gradient formulations, and discrete dislocation simulations. Post-processing of FE and discrete dislocation simulations is described, illustrating the kind of information that can be extracted from comparisons between modeling and experimental data.

  17. Atomic-scale dislocation dynamics in radiation damage environment

    International Nuclear Information System (INIS)

    Osetsky, Y.; Stoller, R.; Bacon, D.J.

    2007-01-01

    Full text of publication follows: The dynamics behavior of dislocations determines mechanical properties of crystalline materials. Long-range interactions between a moving dislocation and other defects can be treated within a continuum approach via interaction of their stress and strain fields. However, a vast contribution to mechanical properties depends on the direct interaction between dislocations and other defects and depends very much on the particular atomic scale structure of the both moving dislocation core and the obstacle. In this work we review recent progress in large-scale modeling of dislocation dynamics in metals at the atomic level by molecular dynamics and statics. We review the modem techniques used to simulate dynamics of dislocations in different lattice structures, the dependence on temperature, strain rate and obstacle size. Examples are given for bcc, fcc and hcp metals where edge and screw dislocations interact with vacancy (loops, voids, stacking fault tetrahedra, etc), self-interstitial clusters and secondary phase precipitates. Attention is paid to interpretation of atomistic results from the point of view of parameterization of continuum models. The latter is vitally necessary for further application in 3-dimensional dislocation dynamics within the multi-scale materials modeling approach. Research sponsored by the Division of Materials Sciences and Engineering and the Office of Fusion Energy Sciences, U.S. Department of Energy, under contract DE-AC0S-00OR22725 with UT-Battelle, LLC. (authors)

  18. A novel unified dislocation density-based model for hot deformation behavior of a nickel-based superalloy under dynamic recrystallization conditions

    International Nuclear Information System (INIS)

    Lin, Y.C.; Wen, Dong-Xu; Chen, Xiao-Min; Chen, Ming-Song

    2016-01-01

    In this study, a novel unified dislocation density-based model is presented for characterizing hot deformation behaviors in a nickel-based superalloy under dynamic recrystallization (DRX) conditions. In the Kocks-Mecking model, a new softening item is proposed to represent the impacts of DRX behavior on dislocation density evolution. The grain size evolution and DRX kinetics are incorporated into the developed model. Material parameters of the developed model are calibrated by a derivative-free method of MATLAB software. Comparisons between experimental and predicted results confirm that the developed unified dislocation density-based model can nicely reproduce hot deformation behavior, DRX kinetics, and grain size evolution in wide scope of initial grain size, strain rate, and deformation temperature. Moreover, the developed unified dislocation density-based model is well employed to analyze the time-variant forming processes of the studied superalloy. (orig.)

  19. A novel unified dislocation density-based model for hot deformation behavior of a nickel-based superalloy under dynamic recrystallization conditions

    Energy Technology Data Exchange (ETDEWEB)

    Lin, Y.C. [Central South University, School of Mechanical and Electrical Engineering, Changsha (China); Light Alloy Research Institute of Central South University, Changsha (China); State Key Laboratory of High Performance Complex Manufacturing, Changsha (China); Wen, Dong-Xu; Chen, Xiao-Min [Central South University, School of Mechanical and Electrical Engineering, Changsha (China); Chen, Ming-Song [Central South University, School of Mechanical and Electrical Engineering, Changsha (China); State Key Laboratory of High Performance Complex Manufacturing, Changsha (China)

    2016-09-15

    In this study, a novel unified dislocation density-based model is presented for characterizing hot deformation behaviors in a nickel-based superalloy under dynamic recrystallization (DRX) conditions. In the Kocks-Mecking model, a new softening item is proposed to represent the impacts of DRX behavior on dislocation density evolution. The grain size evolution and DRX kinetics are incorporated into the developed model. Material parameters of the developed model are calibrated by a derivative-free method of MATLAB software. Comparisons between experimental and predicted results confirm that the developed unified dislocation density-based model can nicely reproduce hot deformation behavior, DRX kinetics, and grain size evolution in wide scope of initial grain size, strain rate, and deformation temperature. Moreover, the developed unified dislocation density-based model is well employed to analyze the time-variant forming processes of the studied superalloy. (orig.)

  20. Technical Report on Atomistic and Dislocation Dynamic Modeling of Plasticity in Polycrystalline Metals

    National Research Council Canada - National Science Library

    Espinosa, Horacio D; Hyde, Brian; Agrawal, Ravi

    2005-01-01

    .... Twin boundaries were introduced and were found not to be favored as sites for defect nucleation but do lead to deformation hardening as they are efficient obstacles against dislocation propagation...

  1. Quasicontinuum analysis of dislocation-coherent twin boundary interaction to provide local rules to discrete dislocation dynamics

    Science.gov (United States)

    Tran, H.-S.; Tummala, H.; Duchene, L.; Pardoen, T.; Fivel, M.; Habraken, A. M.

    2017-10-01

    The interaction of a pure screw dislocation with a Coherent Twin Boundary Σ3 in copper was studied using the Quasicontinuum method. Coherent Twin Boundary behaves as a strong barrier to dislocation glide and prohibits slip transmission across the boundary. Dislocation pileup modifies the stress field at its intersection with the Grain Boundary (GB). A methodology to estimate the strength of the barrier for a dislocation to slip across CTB is proposed. A screw dislocation approaching the boundary from one side either propagates into the adjacent twin grain by cutting through the twin boundary or is stopped and increases the dislocation pileup amplitude at the GB. Quantitative estimation of the critical stress for transmission was performed using the virial stress computed by Quasicontinuum method. The transmission mechanism and critical stress are in line with the literature. Such information can be used as input for dislocation dynamic simulations for a better modeling of grain boundaries.

  2. Dislocation dynamics of web type silicon ribbon

    Energy Technology Data Exchange (ETDEWEB)

    Dillon, Jr, O W; Tsai, C T; DeAngelis, R J

    1987-03-01

    Silicon ribbon grown by the dendritic web process passes through a rapidly changing thermal profile in the growth direction. This rapidly changing profile induces stresses which produce changes in the dislocation density in the ribbon. A viscoplastic material response function (Haasen-Sumino model) is used herein to calculate the stresses and the dislocation density at each point in the silicon ribbon. The residual stresses are also calculated.

  3. Discrete dislocation plasticity modeling of short cracks in single crystals

    NARCIS (Netherlands)

    Deshpande, VS; Needleman, A; Van der Giessen, E

    2003-01-01

    The mode-I crack growth behavior of geometrically similar edge-cracked single crystal specimens of varying size subject to both monotonic and cyclic axial loading is analyzed using discrete dislocation dynamics. Plastic deformation is modeled through the motion of edge dislocations in an elastic

  4. Atomistically-informed dislocation dynamics in FCC crystals

    International Nuclear Information System (INIS)

    Martinez, E.; Marian, J.; Arsenlis, A.; Victoria, M.; Martinez, E.; Victoria, M.; Perlado, J.M.

    2008-01-01

    Full text of publication follows. We will present a nodal dislocation dynamics (DD) model to simulate plastic processes in fcc crystals. The model explicitly accounts for all slip systems and Burgers vectors observed in fcc systems, including stacking faults and partial dislocations. We derive simple conservation rules that describe all partial dislocation interactions rigorously and allow us to model and quantify cross-slip processes, the structure and strength of dislocation junctions, and the formation of fcc-specific structures such as stacking fault tetrahedra. The DD framework is built upon isotropic non-singular linear elasticity, and supports itself on information transmitted from the atomistic scale. In this fashion, connection between the meso and micro scales is attained self-consistently with core parameters fitted to atomistic data. We perform a series of targeted simulations to demonstrate the capabilities of the model, including dislocation reactions and dissociations and dislocation junction strength. Additionally we map the four-dimensional stress space relevant for cross-slip and relate our fundings to the plastic behaviour of' monocrystalline fcc metals. (authors)

  5. Dislocation dynamics simulations in a cylinder

    International Nuclear Information System (INIS)

    Weinberger, Christopher R; Aubry, Sylvie; Cai, Wei; Lee, Seok-Woo

    2009-01-01

    In this work we describe how to perform dislocation dynamics simulations in a cylindrical geometry. An algorithm for computing the image stress is given in detail including methods for handling the singularity. Additional remesh rules address the problems of the cylindrical geometry and the required self consistency with mobility laws. Numerical studies benchmark the accuracy of the algorithms and the importance of handling the singularity correctly.

  6. A three dimensional discrete dislocation dynamics modelling of the early cycles of fatigue in an austenitic stainless steel 316L: dislocation microstructure and damage analysis; Modelisation physique des stades precurseurs de l'endommagement en fatigue dans l'acier inoxydable austenitique 316L

    Energy Technology Data Exchange (ETDEWEB)

    Depres, Ch

    2005-07-01

    A numerical code modelling the collective behaviour of dislocations at a mesoscopic scale (Discrete Dislocation Dynamics code) is used to analyse the cyclic plasticity that occurs in surface grains of an AISI 316L stainless steel, in order to understand the plastic mechanism involved in crack initiation in fatigue. Firstly, the analyses of both the formation and the evolution of the dislocation microstructures show the crucial role of cross-slip played in the strain localization in the form of slip bands. As the cycling proceeds, the slip bands exhibit well-organized dislocation arrangements that substitute to dislocation tangles, involving specific interaction mechanisms between primary and deviate systems. Secondly, both the surface displacements generated by plastic slip and the distortion energy induced by the dislocation microstructure have been analysed. We find that an irreversible surface relief in the form of extrusion/intrusion can be induced by cyclic slip of dislocations. The number of cycles for the crack initiation follows a Manson-Coffin type law. The analyses of the concentration of the distortion energy and its repartition in the slip bands show that beneficial energetic zones may be present at the very beginning of the cycling, and that mode-II crack propagation in the surface grains results from a succession of micro-crack initiations along primary slip plane, which is facilitated by various effects (stress concentration due to surface relief, environment effects...). Finally, a dislocation-based model for cyclic plasticity is proposed from Discrete Dislocation Dynamics results. (author)

  7. Molecular dynamics simulation of dislocation intersections in aluminum

    International Nuclear Information System (INIS)

    Li, M.; Chu, W.Y.; Qian, C.F.; Gao, K.W.; Qiao, L.J.

    2003-01-01

    The molecular dynamics method is used to simulate dislocation intersection in aluminum containing 1.6x10 6 atoms using embedded atom method (EAM) potential. The results show that after intersection between two right-hand screw dislocations of opposite sign there are an extended jog corresponding to a row of 1/3 vacancies in the intersected dislocation, and a trail of vacancies behind the moving dislocation. After intersection between screw dislocations of same sign, there are an extended jog corresponding to a row of 1/3 interstitials in the intersected dislocation, and a trail of interstitials behind the moving dislocation. After intersection between screw and edge dislocations with different Burgers vector, there are a constriction corresponding to one 1/3 vacancy in the edge dislocation, and no point-defects behind the screw dislocation. When a moving screw dislocation intersects an edge dislocation with the same Burgers vector, the point of intersection will split into two constrictions corresponding to one 1/3 vacancy and 1/3 interstitial, respectively. The moving screw dislocation can pass the edge dislocation only after the two constrictions, which can move along the line of intersection of the two slip planes, meet and annihilate

  8. Intermittent dislocation density fluctuations in crystal plasticity from a phase-field crystal model

    DEFF Research Database (Denmark)

    Tarp, Jens M.; Angheluta, Luiza; Mathiesen, Joachim

    2014-01-01

    Plastic deformation mediated by collective dislocation dynamics is investigated in the two-dimensional phase-field crystal model of sheared single crystals. We find that intermittent fluctuations in the dislocation population number accompany bursts in the plastic strain-rate fluctuations...... propose a simple stochastic model of dislocation reaction kinetics that is able to capture these statistical properties of the dislocation density fluctuations as a function of shear rate....

  9. Molecular dynamics simulations of the interaction between 60 deg. dislocation and self-interstitial cluster in silicon

    International Nuclear Information System (INIS)

    Jing Yuhang; Meng Qingyuan; Zhao Wei

    2009-01-01

    Molecular dynamics simulations are performed to investigate the interaction between 60 deg. shuffle dislocation and tetrainterstitial (I 4 ) cluster in silicon, using Stillinger-Weber (SW) potential to calculate the interatomic forces. Based on Parrinello-Rahman method, shear stress is exerted on the model to move the dislocation. Simulation results show that the I 4 cluster can bend the dislocation line and delay the dislocation movement. During the course of intersection the dislocation line sections relatively far away from the I 4 cluster accelerate first, and then decelerate. The critical shear stress unpinning the 60 deg. dislocation from the I 4 cluster decreases as the temperature increases in the models.

  10. Modeling of dislocation channel width evolution in irradiated metals

    Science.gov (United States)

    Doyle, Peter J.; Benensky, Kelsa M.; Zinkle, Steven J.

    2018-02-01

    Defect-free dislocation channel formation has been reported to promote plastic instability during tensile testing via localized plastic flow, leading to a distinct loss of ductility and strain hardening in many low-temperature irradiated materials. In order to study the underlying mechanisms governing dislocation channel width and formation, the channel formation process is modeled via a simple stochastic dislocation-jog process dependent upon grain size, defect cluster density, and defect size. Dislocations traverse a field of defect clusters and jog stochastically upon defect interaction, forming channels of low defect-density. Based upon prior molecular dynamics (MD) simulations and in-situ experimental transmission electron microscopy (TEM) observations, each dislocation encounter with a dislocation loop or stacking fault tetrahedron (SFT) is assumed to cause complete absorption of the defect cluster, prompting the dislocation to jog up or down by a distance equal to half the defect cluster diameter. Channels are predicted to form rapidly and are comparable to reported TEM measurements for many materials. Predicted channel widths are found to be most strongly dependent on mean defect size and correlated well with a power law dependence on defect diameter and density, and distance from the dislocation source. Due to the dependence of modeled channel width on defect diameter and density, maximum channel width is predicted to slowly increase as accumulated dose increases. The relatively weak predicted dependence of channel formation width with distance, in accordance with a diffusion analogy, implies that after only a few microns from the source, most channels observed via TEM analyses may not appear to vary with distance because of limitations in the field-of-view to a few microns. Further, examinations of the effect of the so-called "source-broadening" mechanism of channel formation showed that its effect is simply to add a minimum thickness to the channel

  11. Plastic dislocation motion via nonequilibrium molecular and continuum dynamics

    International Nuclear Information System (INIS)

    Hoover, W.G.; Ladd, A.J.C.; Hoover, N.E.

    1980-01-01

    The classical two-dimensional close-packed triangular lattice, with nearest-neighbor spring forces, is a convenient standard material for the investigation of dislocation motion and plastic flow. Two kinds of calculations, based on this standard material, are described here: (1) Molecular Dynamics simulations, incorporating adiabatic strains described with the help of Doll's Tensor, and (2) Continuum Dynamics simulations, incorporating periodic boundaries and dislocation interaction through stress-field superposition

  12. Molecular dynamics simulation of dislocations in uranium dioxide

    Energy Technology Data Exchange (ETDEWEB)

    Fossati, Paul [CEA, DEN, DPC, SCCME, F-91191 Gif-sur-Yvette Cedex (France); Van Brutzel, Laurent, E-mail: laurent.vanbrutzel@cea.fr [CEA, DEN, DPC, SCCME, F-91191 Gif-sur-Yvette Cedex (France); Devincre, Benoît [LEM, CNRS-ONERA, 29 avenue de la Division Leclerc, F-92322 Châtillon Cedex (France)

    2013-11-15

    The plasticity of the fluorite structure in UO{sub 2} is investigated with molecular dynamics simulation and empirical potential. The stacking fault energies and the dislocation core structures with Burgers vector a/2 〈110〉 are systematically calculated. All dislocation core structures show a significant increase of the oxygen sub-lattice disorder at temperatures higher than 1500 K. The threshold stress for dislocation glide is found to decrease with increasing temperature but its values is always very high, several GPa at 0 K and several hundred of MPa at 2000 K. A relation between the dislocation mobility dependence with temperature and the increase of the oxygen sub-lattice disorder in the dislocation cores is established.

  13. Modelling multiple cycles of static and dynamic recrystallisation using a fully implicit isotropic material model based on dislocation density

    Science.gov (United States)

    Jansen van Rensburg, Gerhardus J.; Kok, Schalk; Wilke, Daniel N.

    2018-03-01

    This paper presents the development and numerical implementation of a state variable based thermomechanical material model, intended for use within a fully implicit finite element formulation. Plastic hardening, thermal recovery and multiple cycles of recrystallisation can be tracked for single peak as well as multiple peak recrystallisation response. The numerical implementation of the state variable model extends on a J2 isotropic hypo-elastoplastic modelling framework. The complete numerical implementation is presented as an Abaqus UMAT and linked subroutines. Implementation is discussed with detailed explanation of the derivation and use of various sensitivities, internal state variable management and multiple recrystallisation cycle contributions. A flow chart explaining the proposed numerical implementation is provided as well as verification on the convergence of the material subroutine. The material model is characterised using two high temperature data sets for cobalt and copper. The results of finite element analyses using the material parameter values characterised on the copper data set are also presented.

  14. Interaction of 〈1 0 0〉 dislocation loops with dislocations studied by dislocation dynamics in α-iron

    Energy Technology Data Exchange (ETDEWEB)

    Shi, X.J.; Dupuy, L. [CEA, DEN, SRMA, F-91191 Gif-sur-Yvette (France); Devincre, B. [Laboratoire d’Etude des Microstructures, CNRS-ONERA, 29 av. de la Division Leclerc, 92322 Châtillon Cedex (France); Terentyev, D. [SCK–CEN, Nuclear Materials Science Institute, Boeretang 200, B-2400 Mol (Belgium); Vincent, L. [CEA, DEN, SRMA, F-91191 Gif-sur-Yvette (France)

    2015-05-15

    Highlights: • Interactions between edge dislocations and radiation-induced loops were studied by dislocation dynamics. • Dislocation dynamics results are directly compared to molecular dynamics results. • The complex elementary reactions are successfully reproduced. • The critical shear stress to overcome individual loops if reproduced quantitatively. - Abstract: Interstitial dislocation loops with Burgers vector of 〈1 0 0〉 type are formed in α-iron under neutron or heavy ion irradiation. As the density and size of these loops increase with radiation dose and temperature, these defects are thought to play a key role in hardening and subsequent embrittlement of iron-based steels. The aim of the present work is to study the pinning strength of the loops on mobile dislocations. Prior to run massive Dislocation Dynamics (DD) simulations involving experimentally representative array of radiation defects and dislocations, the DD code and its parameterization are validated by comparing the individual loop–dislocation reactions with those obtained from direct atomistic Molecular Dynamics (MD) simulations. Several loop–dislocation reaction mechanisms are successfully reproduced as well as the values of the unpinning stress to detach mobile dislocations from the defects.

  15. A dislocation-based crystal plasticity framework for dynamic ductile failure of single crystals

    Science.gov (United States)

    Nguyen, Thao; Luscher, D. J.; Wilkerson, J. W.

    2017-11-01

    A framework for dislocation-based viscoplasticity and dynamic ductile failure has been developed to model high strain rate deformation and damage in single crystals. The rate-dependence of the crystal plasticity formulation is based on the physics of relativistic dislocation kinetics suited for extremely high strain rates. The damage evolution is based on the dynamics of void growth, which are governed by both micro-inertia as well as dislocation kinetics and dislocation substructure evolution. An averaging scheme is proposed in order to approximate the evolution of the dislocation substructure in both the macroscale as well as its spatial distribution at the microscale. Additionally, a concept of a single equivalent dislocation density that effectively captures the collective influence of dislocation density on all active slip systems is proposed here. Together, these concepts and approximations enable the use of semi-analytic solutions for void growth dynamics developed in (Wilkerson and Ramesh, 2014), which greatly reduce the computational overhead that would otherwise be required. The resulting homogenized framework has been implemented into a commercially available finite element package, and a validation study against a suite of direct numerical simulations was carried out.

  16. Dislocation unpinning model of acoustic emission from alkali halide ...

    Indian Academy of Sciences (India)

    The present paper reports the dislocation unpinning model of acoustic emis- sion (AE) from ... Acoustic emission; dislocation; alkali halide crystals; plastic deformation. ..... [5] T Nishimura, A Tahara and T Kolama, Jpn. Metal Inst. 64, 339 (2000).

  17. Discrete dislocation modelling of submicron indentation

    NARCIS (Netherlands)

    Widjaja, A; Van der Giessen, E; Needleman, A

    2005-01-01

    Indentation of a planar single crystal by a circular rigid indenter is analyzed using discrete dislocation plasticity. The crystal has three slip systems and is initially dislocation-free, but edge dislocations can nucleate from point sources inside the crystal. The lattice resistance to dislocation

  18. Dislocations

    Science.gov (United States)

    ... Fitness Diseases & Conditions Infections Drugs & Alcohol School & Jobs Sports Expert Answers (Q&A) Staying Safe Videos for Educators Search English Español First Aid: ... bones become separated. Dislocations are caused by falls and hard impacts, such as in sports injuries, and are more common in teens than ...

  19. Dislocation dynamics in non-convex domains using finite elements with embedded discontinuities

    Science.gov (United States)

    Romero, Ignacio; Segurado, Javier; LLorca, Javier

    2008-04-01

    The standard strategy developed by Van der Giessen and Needleman (1995 Modelling Simul. Mater. Sci. Eng. 3 689) to simulate dislocation dynamics in two-dimensional finite domains was modified to account for the effect of dislocations leaving the crystal through a free surface in the case of arbitrary non-convex domains. The new approach incorporates the displacement jumps across the slip segments of the dislocations that have exited the crystal within the finite element analysis carried out to compute the image stresses on the dislocations due to the finite boundaries. This is done in a simple computationally efficient way by embedding the discontinuities in the finite element solution, a strategy often used in the numerical simulation of crack propagation in solids. Two academic examples are presented to validate and demonstrate the extended model and its implementation within a finite element program is detailed in the appendix.

  20. Dislocation dynamics in non-convex domains using finite elements with embedded discontinuities

    International Nuclear Information System (INIS)

    Romero, Ignacio; Segurado, Javier; LLorca, Javier

    2008-01-01

    The standard strategy developed by Van der Giessen and Needleman (1995 Modelling Simul. Mater. Sci. Eng. 3 689) to simulate dislocation dynamics in two-dimensional finite domains was modified to account for the effect of dislocations leaving the crystal through a free surface in the case of arbitrary non-convex domains. The new approach incorporates the displacement jumps across the slip segments of the dislocations that have exited the crystal within the finite element analysis carried out to compute the image stresses on the dislocations due to the finite boundaries. This is done in a simple computationally efficient way by embedding the discontinuities in the finite element solution, a strategy often used in the numerical simulation of crack propagation in solids. Two academic examples are presented to validate and demonstrate the extended model and its implementation within a finite element program is detailed in the appendix

  1. A parallel algorithm for 3D dislocation dynamics

    International Nuclear Information System (INIS)

    Wang Zhiqiang; Ghoniem, Nasr; Swaminarayan, Sriram; LeSar, Richard

    2006-01-01

    Dislocation dynamics (DD), a discrete dynamic simulation method in which dislocations are the fundamental entities, is a powerful tool for investigation of plasticity, deformation and fracture of materials at the micron length scale. However, severe computational difficulties arising from complex, long-range interactions between these curvilinear line defects limit the application of DD in the study of large-scale plastic deformation. We present here the development of a parallel algorithm for accelerated computer simulations of DD. By representing dislocations as a 3D set of dislocation particles, we show here that the problem of an interacting ensemble of dislocations can be converted to a problem of a particle ensemble, interacting with a long-range force field. A grid using binary space partitioning is constructed to keep track of node connectivity across domains. We demonstrate the computational efficiency of the parallel micro-plasticity code and discuss how O(N) methods map naturally onto the parallel data structure. Finally, we present results from applications of the parallel code to deformation in single crystal fcc metals

  2. MATERIAL ELEMENT MODEL FOR EXTRINSIC SEMICONDUCTORS WITH DEFECTS OF DISLOCATION

    Directory of Open Access Journals (Sweden)

    Maria Paola Mazzeo

    2011-07-01

    Full Text Available In a previous paper we outlined a geometric model for the thermodynamic description of extrinsic semiconductors with defects of dislocation.Applying a geometrization technique, within the rationalextended irreversible thermodynamics with internal variables, the dynamical system for simple material elements of these media, the expressions of the entropy function and the entropy 1-form were obtained. In this contribution we deepen the study of this geometric model. We give a detailed description of the defective media under consideration and of the dislocation core tensor, we introduce the transformation induced by the process and, applying the closure conditions for the entropy 1-form, we derive the necessary conditions for the existence of the entropy function. These and other results are new in the paper.The derivation of the relevant entropy 1-form is the starting point to introduce an extended thermodynamical phase space.

  3. High temperature dislocation processes in precipitation hardened crystals investigated by a 3D discrete dislocation dynamics

    Czech Academy of Sciences Publication Activity Database

    Záležák, Tomáš; Svoboda, Jiří; Dlouhý, Antonín

    2017-01-01

    Roč. 97, OCT (2017), s. 1-23 ISSN 0749-6419 R&D Projects: GA ČR(CZ) GA14-22834S; GA ČR(CZ) GA202/09/2073; GA ČR(CZ) GD106/09/H035; GA MŠk(CZ) EE2.3.20.0214; GA MŠk OC 162 EU Projects: European Commission(XE) 309916 - Z-ULTRA Institutional support: RVO:68081723 Keywords : 3D discrete dislocation dynamics * Dislocations * Strengthening mechanisms * Low angle grain boundaries * Particulate reinforced material Subject RIV: JI - Composite Materials OBOR OECD: Composites (including laminates, reinforced plastics, cermets, combined natural and synthetic fibre fabrics Impact factor: 5.702, year: 2016

  4. Simulations of dislocations dynamics at a mesoscopic scale: a study of plastic flow

    International Nuclear Information System (INIS)

    Devincre, Benoit

    1993-01-01

    This work is concerned with the numerical modelling of the plastic flow of crystalline materials. A new simulation technique is proposed to simulate dislocation dynamics in two and three dimensions, in an isotropic elastic continuum. The space and time scales used (≅10 -6 m and 10 -9 s) allow to take into account the elementary properties of dislocations, their short and long range interactions, their collective properties as well as the slip geometry. This original method is able to reproduce the inherent heterogeneity of plastic flow, the self-organization properties of the dislocation microstructures and the corresponding mechanical properties. In two dimensions, the simulations of cyclic deformation lead to the formation of periodic arrays of dipolar dislocation walls. These configurations are examined and discussed. A phenomenological model is proposed which predicts their characteristic wavelength as a function of the applied stress and dislocation density. A striking resemblance between the simulated behaviour and experimental data is emphasized. In three dimensions, the simulations are more realistic and can directly be compared with the experimental data. They are, however, restricted to small plastic strains, of the order of 10 -3 . The properties examined and discussed are concerned with the forest model, the internal stress, which is shown to contribute to about 20 pc of the flow stress and the mechanisms of strain hardening in relation with the models of Friedel-Saada and Kocks. The investigation of the dislocation microstructures focusses on two essential ingredients for the occurrence of self-organization, the internal stress and the intersections of non coplanar dislocations. These results suggest that, to understand the strain hardening properties as well as the formation of dislocation cells during multiple slip, one must take into account the influence of local internal stresses and cross-slip on the mechanisms of areal glide. (author) [fr

  5. Estimation of flow stress of radiation induced F/M steels using molecular dynamics and discrete dislocation dynamics approach

    International Nuclear Information System (INIS)

    More, Ameya; Dutta, B.K.; Durgaprasad, P.V.; Arya, A.K.

    2012-01-01

    Fe-Cr based Ferritic/Martensitic (F/M) steels are the candidate structural materials for future fusion reactors. In this work, a multi-scale approach comprising atomistic Molecular Dynamics (MD) simulations and Discrete Dislocation Dynamics (DDD) simulations are used to model the effect of irradiation dose on the flow stress of F/M steels. At the atomic scale, molecular dynamics simulations are used to study the dislocation interaction with irradiation induced defects, i.e. voids and He bubbles. Whereas, the DDD simulations are used to estimate the change in flow stress of the material as a result of irradiation hardening. (author)

  6. 3D Discrete Dislocation Dynamics Applied to Interactions between Dislocation Walls and Particles

    Czech Academy of Sciences Publication Activity Database

    Záležák, Tomáš; Dlouhý, Antonín

    2012-01-01

    Roč. 122, č. 3 (2012), s. 450-452 ISSN 0587-4246. [International Symposium on Physics of Materials /12./ - ISPMA 12. Prague, 04.09.2011-08.09.2011] R&D Projects: GA ČR GD106/09/H035; GA ČR GA202/09/2073; GA MŠk OC 162 Institutional research plan: CEZ:AV0Z20410507 Keywords : 3D discrete dislocation dynamics * tilt boundary * migration * diffusion * pecipitation hardening Subject RIV: JG - Metallurgy Impact factor: 0.531, year: 2012

  7. Dislocation pinning effects induced by nano-precipitates during warm laser shock peening: Dislocation dynamic simulation and experiments

    Science.gov (United States)

    Liao, Yiliang; Ye, Chang; Gao, Huang; Kim, Bong-Joong; Suslov, Sergey; Stach, Eric A.; Cheng, Gary J.

    2011-07-01

    Warm laser shock peening (WLSP) is a new high strain rate surface strengthening process that has been demonstrated to significantly improve the fatigue performance of metallic components. This improvement is mainly due to the interaction of dislocations with highly dense nanoscale precipitates, which are generated by dynamic precipitation during the WLSP process. In this paper, the dislocation pinning effects induced by the nanoscale precipitates during WLSP are systematically studied. Aluminum alloy 6061 and AISI 4140 steel are selected as the materials with which to conduct WLSP experiments. Multiscale discrete dislocation dynamics (MDDD) simulation is conducted in order to investigate the interaction of dislocations and precipitates during the shock wave propagation. The evolution of dislocation structures during the shock wave propagation is studied. The dislocation structures after WLSP are characterized via transmission electron microscopy and are compared with the results of the MDDD simulation. The results show that nano-precipitates facilitate the generation of highly dense and uniformly distributed dislocation structures. The dislocation pinning effect is strongly affected by the density, size, and space distribution of nano-precipitates.

  8. Dynamics of screw dislocations : a generalised minimising-movements scheme approach

    NARCIS (Netherlands)

    Bonaschi, G.A.; Meurs, van P.J.P.; Morandotti, M.

    2015-01-01

    The gradient flow structure of the model introduced in [CG99] for the dynamics of screw dislocations is investigated by means of a generalised minimising-movements scheme approach. The assumption of a finite number of available glide directions, together with the "maximal dissipation criterion" that

  9. Static strain aging of Zircaloy-2: the effect of dislocation dynamics on yielding behaviour

    International Nuclear Information System (INIS)

    Thorpe, W.R.; Smith, I.O.

    1981-01-01

    The static strain-aging response of Zircaloy-2 was determined in the temperature range 293-723 K. A modified Hahn yielding model was found to provide a satisfactory description of the magnitude and shape of the yield points after aging, thereby providing information about the mobile dislocation density and the dislocation generation rate. For example, the characteristic double peak in the temperature dependence of strain aging was simplified to a single broad minimum in the mobile dislocation density over the temperature interval 500-700 K. The shape of the yield point was also found to be temperature dependent; the yield drop became less sharp at test temperatures above 648 K. This was ascribed to the inhibition of dislocation multiplication by dynamic strain aging. A kinetic law was developed by applying Snoek ordering kinetics to the process of dislocation locking and the resultant change in mobile dislocation density was then used to predict the strain-aging response as a function of aging time. The stress dependence of strain aging at 573 K was investigated at aging stresses of between 0.07 and 0.975 of the flow stress sigmasub(f). The strain-aging response increased for aging at stresses between 0.07sigmassub(f) and 0.8sigmasub(f), whereafter it declined steeply to the limit of zero at the flow stress. (Auth.)

  10. Dislocation evolution and properties enhancement of GH2036 by laser shock processing: Dislocation dynamics simulation and experiment

    Energy Technology Data Exchange (ETDEWEB)

    Ren, X.D., E-mail: renxd@mail.ujs.edu.cn [School of Mechanical Engineering, Jiangsu University, Zhenjiang 212013 (China); Zhou, W.F.; Ren, Y.P.; Xu, S.D.; Liu, F.F. [School of Mechanical Engineering, Jiangsu University, Zhenjiang 212013 (China); Yuan, S.Q. [Research Center of Fluid Machinery Engineering and Technical, Jiangsu University, Zhenjiang 212013 (China); Ren, N.F.; Huang, J.J. [School of Mechanical Engineering, Jiangsu University, Zhenjiang 212013 (China)

    2016-01-27

    This paper systematically investigated the effect of laser shock processing (LSP) on dislocation evolution and microstructure configuration of GH2036 alloy. Surface topography and roughness were tested by Axio CSM 700 microscope. The dislocation configurations were characterized by transmission electron microscope (TEM) and simulated by multi-scale discrete dislocation dynamics (DD) method. The results have confirmed that LSP had a beneficial effect on micro-hardness, which could be increased by 16%, and the surface topography exhibited excellent stability even after thermal cycle. The dislocation density and stress–strain response have strong dependence on laser power intensity. Reasonable agreement between DD simulation and experiments is achieved. The results showed that complex random microstructures can be observed in the shocked surface. The grain refinement mechanism of LSP GH2036 involves dislocation segmentation and twin intersections.

  11. Two-dimensional discrete dislocation models of deformation in polycrystalline thin metal films on substrates

    International Nuclear Information System (INIS)

    Hartmaier, Alexander; Buehler, Markus J.; Gao, Huajian

    2005-01-01

    The time-dependent irreversible deformation of polycrystalline thin metal films on substrates is investigated using two-dimensional discrete dislocation dynamics models incorporating essential parameters determined from atomistic studies. The work is focused on the mechanical properties of uncapped films, where diffusive processes play an important role. The simulations incorporate dislocation climb along the grain boundary as well as conservative glide. Despite of severe limitations of the two-dimensional dislocation models, the simulation results are found to largely corroborate experimental findings on different dominant deformation mechanisms at different film thicknesses

  12. Study by dislocation dynamics simulations of radiation effects on the plasticity of ferrite at high temperature

    International Nuclear Information System (INIS)

    Shi, Xiangjun

    2014-01-01

    This study is a contribution to the multi-scale modeling of hardening and embrittlement of the vessel steel in Pressurized Water Reactors (PWR) under irradiation conditions. Dislocation Dynamics simulations (DD) were conducted to describe the plasticity of irradiated iron at grain scale. Quantitative information about the pinning strength of radiation-induced loops was extracted and can be transferred at crystal plasticity scale. Elementary interactions between an edge dislocation and different types of loops were first analyzed. A new model of DD was identified and validated, both qualitatively in terms of interaction mechanisms and quantitatively in terms of critical stress, using Molecular Dynamics results available in the literature. The influence of the size of the loops and of the strain rate was particularly studied. Elementary simulations involving a screw dislocation and the same radiation-induced defects were conducted and carefully compared to available MD results, extending the range of validity of our model. Finally, a set of massive simulations involving an edge dislocation and a large number of loops was performed and allowed a first estimation of the obstacle strength for this type of defects (α≅0.26). This value is in a good agreement with previous experimental and numerical studies, and gives us confidence in future work based on this new DD model. (author) [fr

  13. Effect of collision cascades on dislocations in tungsten: A molecular dynamics study

    Energy Technology Data Exchange (ETDEWEB)

    Fu, B.Q., E-mail: bqfu@scu.edu.cn [Key Laboratory for Radiation Physics and Technology, Institute of Nuclear Science and Technology, Sichuan University, Chengdu 610065 (China); Department of Materials, University of Oxford, Parks Road, Oxford OX1 3PH (United Kingdom); Fitzgerald, S.P. [Department of Applied Mathematics, University of Leeds, Leeds LS2 9JT (United Kingdom); Department of Materials, University of Oxford, Parks Road, Oxford OX1 3PH (United Kingdom); Hou, Q.; Wang, J.; Li, M. [Key Laboratory for Radiation Physics and Technology, Institute of Nuclear Science and Technology, Sichuan University, Chengdu 610065 (China)

    2017-02-15

    Highlights: • A cascde near a dislocation promotes climb motion. • Kinks induced by cascade facilitate the dipoles motion toward the cascade. • Shearing of dipole is dependent on PKA energy, position, direction, and dipole width. - Abstract: Tungsten (W) is the prime candidate material for the divertor and other plasma-facing components in DEMO. The point defects (i.e. vacancies and self-interstitials) produced in collision cascades caused by incident neutrons aggregate into dislocation loops (and voids), which strongly affect the mechanical properties. The point defects also interact with existing microstructural features, and understanding these processes is crucial for modelling the long term microstructural evolution of the material under fusion conditions. In this work, we performed molecular dynamics simulations of cascades interacting with initially straight edge dislocation dipoles. It was found that the residual vacancy number usually exceeds the residual interstitial number for cascades interacting with vacancy type dipoles, but for interstitial type dipoles these are close. We observed that a cascade near a dislocation promotes climb, i.e. it facilitates the movement of point defects along the climb direction. We also observed that the dislocations move easily along the glide direction, and that kinks are formed near the centre of the cascade, which then facilitate the movement of the dipoles. Some dipoles are sheared off by the cascade, and this is dependent on PKA energy, position, direction, and the width of dipole.

  14. Dislocation model of a subsurface crack

    International Nuclear Information System (INIS)

    Yang, F.; Li, J.C.

    1997-01-01

    A dislocation model of a subsurface crack parallel to the surface is presented. For tensile loading, the results agree with those of previous workers except that we studied the crack very close to the surface and found that K II (mode II stress intensity factor) approaches K I (mode I stress intensity factor) to within about 22% (K II =0.78K I ). (Note that K II is zero when the crack is far away from the surface). Using bending theory for such situations, it is found that both stress intensity factors are inversely proportional to the 3/2 power of the distance between the subsurface crack and the free surface. For shear loading, the crack faces overlap each other for the free traction condition. This indicates the failure of the model. However, there was no overlap for tensile loading even though the stresses in front of the crack oscillate somewhat when the crack is very close to the surface. copyright 1997 American Institute of Physics

  15. Dislocation Dynamics in Al-Li Alloys. Mean Jump Distance and Activation Length of Moving Dislocations

    NARCIS (Netherlands)

    Hosson, J.Th.M. De; Huis in 't Veld, A.; Tamler, H.; Kanert, O.

    1984-01-01

    Pulsed nuclear magnetic resonance proved to be a complementary new technique for the study of moving dislocations in Al-Li alloys. The NMR technique, in combination with transmission electron microscopy and strain-rate change experiments have been applied to study dislocation motion in Al-2.2 wt% Li

  16. A spectral approach for discrete dislocation dynamics simulations of nanoindentation

    Science.gov (United States)

    Bertin, Nicolas; Glavas, Vedran; Datta, Dibakar; Cai, Wei

    2018-07-01

    We present a spectral approach to perform nanoindentation simulations using three-dimensional nodal discrete dislocation dynamics. The method relies on a two step approach. First, the contact problem between an indenter of arbitrary shape and an isotropic elastic half-space is solved using a spectral iterative algorithm, and the contact pressure is fully determined on the half-space surface. The contact pressure is then used as a boundary condition of the spectral solver to determine the resulting stress field produced in the simulation volume. In both stages, the mechanical fields are decomposed into Fourier modes and are efficiently computed using fast Fourier transforms. To further improve the computational efficiency, the method is coupled with a subcycling integrator and a special approach is devised to approximate the displacement field associated with surface steps. As a benchmark, the method is used to compute the response of an elastic half-space using different types of indenter. An example of a dislocation dynamics nanoindentation simulation with complex initial microstructure is presented.

  17. Motion of dislocation kinks in a simple model crystal

    International Nuclear Information System (INIS)

    Koizumi, H.; Suzuki, T.

    2005-01-01

    To investigate the effects of lattice periodicity on kink motion, a molecular-dynamic simulation for a kink in a screw dislocation has been performed in a simple model lattice of diamond type. The Stillinger-Weber potential is assumed to act between atoms. Under applied stresses larger than 0.0027G, a long distance motion of a kink is possible, where G is the shear modulus. A moving kink emits lattice waves and loses its kinetic energy, which is compensated by the applied stress. The kink attains a terminal velocity after moving a few atomic distances. The kink velocity is not proportional to the applied stress, and exceeds the shear wave velocity when the applied stress is larger than 0.026G. The energy loss of the moving kink is one order of magnitude smaller than that of a moving straight dislocation and is about the same order of magnitude as the theoretical value of phonon-scattering mechanisms at room temperature

  18. Dislocation dynamics in Al-Li alloys: mean jump distance and activation length of moving dislocations

    International Nuclear Information System (INIS)

    De Hosson, J.Th.M.; Huis Int Veld, A.

    1984-01-01

    It is pointed out that aluminum-lithium based alloys offer considerable promise for structural applications, especially in the aerospace industry. This promise is related to the potential for high strength in combination with a density which is lower than that found in conventional aluminum alloys. In addition, the modulus of elasticity is higher than corresponding values in conventional aluminum alloys. A nuclear magnetic resonance study of the mechanism of dislocation motion in Al-2.2 wt pct Li is reported. Information about the effective mean jump distance of mobile dislocations is provided by in situ nuclear spin relaxation measurements. The activation length of mobile dislocations has been obtained from strain-rate change experiments on Al-2.2 wt pct Li. The considered study shows that pulsed nuclear magnetic resonance is a complementary new technique for the study of moving dislocations in Al-Li alloys. 28 references

  19. Kink-pair formation on dislocations within the framework of the line-tension model

    International Nuclear Information System (INIS)

    Lay, W.

    1991-01-01

    This article deals with the plastic deformation of crystals under an applied stress and summarizes various theoretical concepts within the framework of a model of dislocation migration in crystals. The migration of one type of dislocations in their glide plane is described within the framework of a continuum approximation. The dynamics of the physical system is treated by a Hamiltonian method describing solitonic vibrations of a one-dimensional field added by discussions of a special perturbation which models the applied stress in the glide plane of the dislocation. Dislocation migration is governed by nucleation processes. Therefore, one has to apply thermodynamical concepts in order to calculate the formation rate of the nucleation configuration of the dislocation. This is done here by mapping the solitonic field onto a Brownian particle and using Kramers' famous work on nucleation in chemical reactions. The last section is devoted to an approach involving quantum thermodynamical effects and relating them to tunnelling processes of kinks on dislocations. The method used for calculating tunnelling rates is based on Feynman's path integral method in imaginary time formulation. (author). 26 refs, 12 figs

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

    DEFF Research Database (Denmark)

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

    2002-01-01

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

  1. Crystallographic fatigue crack growth in a polycrystal: simulations based on FEM and discrete dislocation dynamics

    International Nuclear Information System (INIS)

    Bertolino, G.; Sauzay, M.; Bertolino, G.; Doquet, V.

    2003-01-01

    An attempt to model the variability of short cracks development in high-cycle fatigue is made by coupling finite element calculations of the stresses ahead of a microcrack in a polycrystal with simulations of crack growth along slip planes based on discrete dislocations dynamics. The model predicts a large scatter in growth rates related to the roughness of the crack path. It also describes the influence of the mean grain size and the fact that overloads may suppress the endurance limit by allowing arrested cracks to cross the grain boundaries. (authors)

  2. Interferometric SAR and land deformation. Analysis using the dislocation model; Interferometric SAR to chikaku hendo. Dislocation model wo mochiita kaiseki

    Energy Technology Data Exchange (ETDEWEB)

    Matsushima, J; Otaki, T; Tanaka, A; Miyazaki, Y [Geological Survey of Japan, Tsukuba (Japan)

    1996-05-01

    The diastrophism by the earthquake-induced dislocation is investigated by interferometry (INSAR) which represents the diastrophism by the interference fringes of equiphase difference lines. A joint research group at Geographical Survey Institute and National Space Development Agency showed the diastrophism in the vicinity of the ground surfaces before and after the Hyogoken Nanbu Earthquake by the INSAR interference images in 1995. This paper discusses the effects of observation in the vision line direction from the satellite and dislocation parameters on the interference images. The dislocation model uses a slanted rectangular model in a semi-infinite medium, to calculate static displacements and strain distributions at the ground surface, when dislocation changes. It is found that the INSAR interference images, detecting displacements in the vision line direction from the satellite, significantly change as the vision line direction changes, and that the actual displacement cannot be given by the images alone. This paper also shows sensitivity of the interference images to the dislocation parameters. 3 refs., 9 figs., 1 tab.

  3. Attenuation of the dynamic yield point of shocked aluminum using elastodynamic simulations of dislocation dynamics.

    Science.gov (United States)

    Gurrutxaga-Lerma, Beñat; Balint, Daniel S; Dini, Daniele; Eakins, Daniel E; Sutton, Adrian P

    2015-05-01

    When a metal is subjected to extremely rapid compression, a shock wave is launched that generates dislocations as it propagates. The shock wave evolves into a characteristic two-wave structure, with an elastic wave preceding a plastic front. It has been known for more than six decades that the amplitude of the elastic wave decays the farther it travels into the metal: this is known as "the decay of the elastic precursor." The amplitude of the elastic precursor is a dynamic yield point because it marks the transition from elastic to plastic behavior. In this Letter we provide a full explanation of this attenuation using the first method of dislocation dynamics to treat the time dependence of the elastic fields of dislocations explicitly. We show that the decay of the elastic precursor is a result of the interference of the elastic shock wave with elastic waves emanating from dislocations nucleated in the shock front. Our simulations reproduce quantitatively recent experiments on the decay of the elastic precursor in aluminum and its dependence on strain rate.

  4. Velocity statistics for interacting edge dislocations in one dimension from Dyson's Coulomb gas model.

    Science.gov (United States)

    Jafarpour, Farshid; Angheluta, Luiza; Goldenfeld, Nigel

    2013-10-01

    The dynamics of edge dislocations with parallel Burgers vectors, moving in the same slip plane, is mapped onto Dyson's model of a two-dimensional Coulomb gas confined in one dimension. We show that the tail distribution of the velocity of dislocations is power law in form, as a consequence of the pair interaction of nearest neighbors in one dimension. In two dimensions, we show the presence of a pairing phase transition in a system of interacting dislocations with parallel Burgers vectors. The scaling exponent of the velocity distribution at effective temperatures well below this pairing transition temperature can be derived from the nearest-neighbor interaction, while near the transition temperature, the distribution deviates from the form predicted by the nearest-neighbor interaction, suggesting the presence of collective effects.

  5. The coupling technique: A two-wave acoustic method for the study of dislocation dynamics

    Science.gov (United States)

    Gremaud, G.; Bujard, M.; Benoit, W.

    1987-03-01

    Progress in the study of dislocation dynamics has been achieved using a two-wave acoustic method, which has been called the coupling technique. In this method, the attenuation α and the velocity v of ultrasonic waves are measured in a sample submitted simultaneously to a harmonic stress σ of low frequency. Closed curves Δα(σ) and Δv/v(σ) are drawn during each cycle of the applied stress. The shapes of these curves and their evolution are characteristic of each dislocation motion mechanism which is activated by the low-frequency applied stress. For this reason, the closed curves Δα(σ) and Δv/v(σ) can be considered as signatures of the interaction mechanism which controls the low-frequency dislocation motion. In this paper, the concept of signature is presented and explained with some experimental examples. It will also be shown that theoretical models can be developed which explain very well the experimental results.

  6. Orowan strengthening and forest hardening superposition examined by dislocation dynamics simulations

    International Nuclear Information System (INIS)

    Queyreau, Sylvain; Monnet, Ghiath; Devincre, Benoit

    2010-01-01

    Rule of mixtures are an essential feature of the modeling of plastic deformation in complex materials in which more than one strain-hardening mechanism is involved. In this work, use is made of dislocation dynamics simulations to characterize the individual and the superposed contributions of two major mechanisms of crystal plasticity, i.e. Orowan strengthening and forest hardening. Based on a formal description of each hardening mechanism, evidence is presented to show that a quadratic rule of mixtures has the ability to predict quantitatively the flow stress of complex materials such as reactor pressure vessel steel.

  7. Frenkel defect absorption on dislocations and dislocation discharge rate. Modeling determination of the absorption zone

    International Nuclear Information System (INIS)

    Mikhlin, Eh.Ya.

    1988-01-01

    A situation connected with the fact that evaluations of dislocation discharge strength which somehow or other are based on the elasticity theory in the dislocation nucleus or near it, do not lead to results complying with experimental data, is discussed. Bases of the alternative approach to this problem consisting in direct investigation into the process of Frenkel defect absorption on dislocation by its computerized simulation at the microscopic level are also presented. Methods of investigation and results are described using α dislocation in iron-alpha as an example. The concept of zones of vacancy and interstitial atom absorption on dislocation is discussed. It is shown that a spontaneous transition, performed by any of these defects near a dislocation is not always identical to absorption and usually appears to be only a part of a multistage process leading to the defect disappearance. Potential relief characteristics for vacancy movement near the dislocation are found. An area wide enough in a transverse direction is found around the dislocation. Vacncies reaching this area can be easily transported to places of their disappearance. Therefore the vacancy entry to this area is equivalent to the absorption. the procedure of simulating the atomic structure of a crystallite containing a dislocation with a step is described. Positions from which these defects perform spontaneous transitions, reaching the disappearance places are found on the dislocation near the step

  8. Dislocation-free zone model of fracture comparison with experiments

    International Nuclear Information System (INIS)

    Ohr, S.M.; Chang, S.

    1982-01-01

    The dislocation-free zone (DFZ) model of fracture has been extended to study the relationship between the stress intensity factor, extent of plastic deformation, and crack tip geometry of an elastic-plastic crack as a function of applied stress. The results show that the stress intensity factor K decreases from the elastic value at first slowly, then goes rapidly to zero as the number of dislocations in the plastic zone increases. The crack with a zero stress intensity factor has its crack tip stress field completely relaxed by plastic deformation and hence is called a plastic crack. Between the elastic and plastic cracks, a wide range of elastic-plastic cracks having both a stress singularity and a plastic zone are possible. These elastic-plastic cracks with a DFZ are predicted if there is a critical stress intensity factor K/sub g/ required for the generation of dislocations at the crack tip. The expression for K/sub g/ is obtained from the crack tip dislocation nucleation model of Rice and Thomson. In most metals, the magnitude of K/sub g/ is less than the critical stress intensity factor for brittle fracture K/sub c/. The values of K are determined from electron microscope fracture experiments for various metals and they are found to be in good agreement with the K/sub g/ predicted from the model. It is concluded that for most ductile and semibrittle metals, the mechanism of dislocation generation is more important than the fracture surface energy in determining the stress intensity factor at the crack tip

  9. Mechanical properties of nano and bulk Fe pillars using molecular dynamics and dislocation dynamics simulation

    Directory of Open Access Journals (Sweden)

    S. K. Deb Nath

    2017-10-01

    Full Text Available Using molecular dynamics simulation, tension and bending tests of a Fe nanopillar are carried out to obtain its Young’s modulus and yield strength. Then the comparative study of Young’s modulus and yield strength of a Fe nanopillar under bending and tension are carried out varying its diameter in the range of diameter 1-15nm. We find out the reasons why bending Young’s modulus and yield strength of a Fe nanopillar are higher than those of tension Young’s modulus and yield strength of a Fe nanopillar. Using the mobility parameters of bulk Fe from the experimental study [N. Urabe and J. Weertman, Materials Science and Engineering 18, 41 (1975], its temperature dependent stress-strain relationship, yield strength and strain hardening modulus are obtained from the dislocation dynamics simulations. Strain rate dependent yield strength and strain hardening modulus of bulk Fe pillars under tension are studied. Temperature dependent creep behaviors of bulk Fe pillars under tension are also studied. To verify the soundness of the present dislocation dynamics studies of the mechanical properties of bulk Fe pillars under tension, the stress vs. strain relationship and dislocation density vs. strain of bulk Fe pillars obtained by us are compared with the published results obtained by S. Queyreau, G. Monnet, and B. Devincre, International Journal of Plasticity 25, 361 (2009.

  10. Atomistic simulations of dislocations in a model BCC multicomponent concentrated solid solution alloy

    International Nuclear Information System (INIS)

    Rao, S.I.; Varvenne, C.; Woodward, C.; Parthasarathy, T.A.; Miracle, D.; Senkov, O.N.; Curtin, W.A.

    2017-01-01

    Molecular statics and molecular dynamics simulations are presented for the structure and glide motion of a/2〈111〉 dislocations in a randomly-distributed model-BCC Co 16.67 Fe 36.67 Ni 16.67 Ti 30 alloy. Core structure variations along an individual dislocation line are found for a/2〈111〉 screw and edge dislocations. One reason for the core structure variations is the local variation in composition along the dislocation line. Calculated unstable stacking fault energies on the (110) plane as a function of composition vary significantly, consistent with this assessment. Molecular dynamics simulations of the critical glide stress as a function of temperature show significant strengthening, and much shallower temperature dependence of the strengthening, as compared to pure BCC Fe as well as a reference mean-field BCC alloy material of the same overall composition, lattice and elastic constants as the target alloy. Interpretation of the strength versus temperature in terms of an effective kink-pair activation model shows the random alloy to have a much larger activation energy than the mean-field alloy or BCC Fe. This is interpreted as due to the core structure variations along the dislocation line that are often unfavorable for glide in the direction of the load. The configuration of the gliding dislocation is wavy, and significant debris is left behind, demonstrating the role of local composition and core structure in creating kink pinning (super jogs) and/or deflection of the glide plane of the dislocation. - Graphical abstract: Measured critical resolved shear stress scaled by the (111) shear modulus (39 GPa) necessary to achieve on-going glide as a function of temperature, for the a/2[111] screw dislocation in the model BCC Co 16.67 Fe 36.67 Ni 16.67 Ti 30 alloy. The upper and lower bounds of the critical resolved shear stress is shown in the plot. Also shown in is the measured strength for the mean-field A-atom material and BCC Fe as a function of

  11. Molecular dynamics simulation of cross-slip and the intersection of dislocations in copper

    CERN Document Server

    Li, Maozhen; Gao, K W; Qiao, L J

    2003-01-01

    The molecular dynamics method is used to simulate cross-slip by thermal activation at 30 K and the intersection of dislocations in copper containing 1.6 x 10 sup 6 atoms using the embedded atom method potential. The results show that an extended screw dislocation can recombine through thermal activation at 30 K into a constriction on the surface because of stress imbalance and the constriction will split again in the other slip plane. Removing the constriction along the extended dislocation results in a cross-slip of the screw dislocation at low temperature. After the intersection between a moving right-hand screw dislocation DC and a perpendicular left-hand dislocation BA, whose ends are fixed on the surfaces, an extended jog corresponding to a row of one-third vacancies forms in BA and a trail of vacancies behind DC. If the intersected dislocation is a right-hand screw dislocation AB, the jog formed in AB corresponds to a row of one-third interstitials and the point defects behind DC are interstitials. Afte...

  12. Ab initio modeling of interactions between screw dislocations and interstitial solutes in body-centered cubic transition metals

    International Nuclear Information System (INIS)

    Luthi, Berengere

    2017-01-01

    In order to improve our understanding of alloy plasticity, it is important to describe at the atomic scale the dislocation-solute interactions and their effect on the dislocation mobility. This work focuses on the body-centered cubic (BCC) transition metals in presence of interstitial solute atoms, in particular the Fe-C system. Using Density Functional Theory (DFT) calculations, the core structure of the screw dislocation of Burgers vector b=1/2<111> was investigated in iron in presence of boron, carbon, nitrogen and oxygen solute atoms, and in BCC metals from group 5 (V, Nb, Ta) and 6 (Mo, W) in presence of carbon solutes. A core reconstruction is evidenced in iron and group 6 metals, along with a strong attractive dislocation-solute interaction energy: the dislocation goes from easy to hard configuration where the solute atoms are at the center of trigonal prisms along the dislocation line. A different behavior is observed in group 5 metals, for which the most stable configuration for the carbon atom is an octahedral site in the vicinity of the dislocation, without any core reconstruction. This group tendency is linked to the structure of mono-carbides. Consequences of the strongly attractive dislocation-solute interactions in Fe(C) were then investigated. First the equilibrium segregation close to the dislocation core was studied using a mean-field model and Monte Carlo simulations. Over a wide temperature range, from 200 to 700 K, a strong segregation is predicted with every other prismatic site occupied by a carbon atom. Then, the mobility of the dislocation in presence of carbon atoms was investigated by modeling the double-kink mechanism with DFT, in relation with experimental data obtained with transmission electron microscopy. The activation energy obtained for this atomic scale mechanism is in good agreement with experimental values for the dynamic strain aging. (author) [fr

  13. Atomistically determined phase-field modeling of dislocation dissociation, stacking fault formation, dislocation slip, and reactions in fcc systems

    Science.gov (United States)

    Rezaei Mianroodi, Jaber; Svendsen, Bob

    2015-04-01

    The purpose of the current work is the development of a phase field model for dislocation dissociation, slip and stacking fault formation in single crystals amenable to determination via atomistic or ab initio methods in the spirit of computational material design. The current approach is based in particular on periodic microelasticity (Wang and Jin, 2001; Bulatov and Cai, 2006; Wang and Li, 2010) to model the strongly non-local elastic interaction of dislocation lines via their (residual) strain fields. These strain fields depend in turn on phase fields which are used to parameterize the energy stored in dislocation lines and stacking faults. This energy storage is modeled here with the help of the "interface" energy concept and model of Cahn and Hilliard (1958) (see also Allen and Cahn, 1979; Wang and Li, 2010). In particular, the "homogeneous" part of this energy is related to the "rigid" (i.e., purely translational) part of the displacement of atoms across the slip plane, while the "gradient" part accounts for energy storage in those regions near the slip plane where atomic displacements deviate from being rigid, e.g., in the dislocation core. Via the attendant global energy scaling, the interface energy model facilitates an atomistic determination of the entire phase field energy as an optimal approximation of the (exact) atomistic energy; no adjustable parameters remain. For simplicity, an interatomic potential and molecular statics are employed for this purpose here; alternatively, ab initio (i.e., DFT-based) methods can be used. To illustrate the current approach, it is applied to determine the phase field free energy for fcc aluminum and copper. The identified models are then applied to modeling of dislocation dissociation, stacking fault formation, glide and dislocation reactions in these materials. As well, the tensile loading of a dislocation loop is considered. In the process, the current thermodynamic picture is compared with the classical mechanical

  14. 3D DD modelling of the prismatic loops and dislocations interaction in pure iron

    International Nuclear Information System (INIS)

    Novokshanov, R.; Roberts, S.

    2007-01-01

    Full text of publication follows: Neutron irradiation can increase the yield stress and reduce the ductility of metals. These effects are mainly caused by the interaction of dislocations with damage produced during irradiation. In iron irradiated with fast neutrons the damage takes the form of 1/2 and 1/2 prismatic dislocation loops (the size of the loops varies from 2 nm to 20 nm depending on the dose of irradiation). The interaction between such loops and dislocations is the subject of this research. 3D dislocation dynamics simulations have been carried out to model the interaction between prismatic loops and dis- locations in pure iron subject to uniaxial loading conditions. The primary goal was to understand the mechanism of interaction of a a/2 loop and a mobile dislocation. The simulations have shown a complicated 3D interaction resulting in either bowing around an obstacle (prismatic loop, Orowan mechanism) or cutting it through, carrying part of the loop away and leaving the other part behind. Cross-slip can be important, in a manner depending on the type of mobile dislocation, size, type and orientation of prismatic loop. The secondary goal was to investigate the dependence of the critical stress needed for dislocations to overcome the obstacles as a function of: size of loops, initial separation between loops, the direction of motion of the mobile dislocation and its type (pure edge or screw), and type of a loop (interstitial or vacancy). Many different configurations have been simulated. The size of the loops was varied from 10 nm to 100 nm; the separation between the loops in a row was varied from one to four loop diameters; the distance between the glide plane and the loop plane was varied from 0 to 20 nm. The glide plane of the mobile dislocation was either perpendicular to and or inclined to the loop plane. The results show a strong dependence of the critical stress on the size of the loops and the initial configuration. (authors)

  15. Recent Progress in Discrete Dislocation Dynamics and Its Applications to Micro Plasticity

    KAUST Repository

    Po, Giacomo; Mohamed, Mamdouh S.; Crosby, Tamer; Erel, Can; El-Azab, Anter; Ghoniem, Nasr

    2014-01-01

    We present a self-contained review of the discrete dislocation dynamics (DDD) method for the numerical investigation of plasticity in crystals, focusing on recent development and implementation progress. The review covers the theoretical foundations of DDD within the framework of incompatible elasticity, its numerical implementation via the nodal method, the extension of the method to finite domains and several implementation details. Applications of the method to current topics in micro-plasticity are presented, including the size effects in nano-indentation, the evolution of the dislocation microstructure in persistent slip bands, and the phenomenon of dislocation avalanches in micro-pillar compression.

  16. Recent Progress in Discrete Dislocation Dynamics and Its Applications to Micro Plasticity

    KAUST Repository

    Po, Giacomo

    2014-09-27

    We present a self-contained review of the discrete dislocation dynamics (DDD) method for the numerical investigation of plasticity in crystals, focusing on recent development and implementation progress. The review covers the theoretical foundations of DDD within the framework of incompatible elasticity, its numerical implementation via the nodal method, the extension of the method to finite domains and several implementation details. Applications of the method to current topics in micro-plasticity are presented, including the size effects in nano-indentation, the evolution of the dislocation microstructure in persistent slip bands, and the phenomenon of dislocation avalanches in micro-pillar compression.

  17. Multiscale modeling of dislocation processes in BCC tantalum: bridging atomistic and mesoscale simulations

    International Nuclear Information System (INIS)

    Yang, L H; Tang, M; Moriarty, J A

    2001-01-01

    Plastic deformation in bcc metals at low temperatures and high-strain rates is controlled by the motion of a/2 screw dislocations, and understanding the fundamental atomistic processes of this motion is essential to develop predictive multiscale models of crystal plasticity. The multiscale modeling approach presented here for bcc Ta is based on information passing, where results of simulations at the atomic scale are used in simulations of plastic deformation at mesoscopic length scales via dislocation dynamics (DD). The relevant core properties of a/2 screw dislocations in Ta have been obtained using quantum-based interatomic potentials derived from model generalized pseudopotential theory and an ab-initio data base together with an accurate Green's-function simulation method that implements flexible boundary conditions. In particular, the stress-dependent activation enthalpy for the lowest-energy kink-pair mechanism has been calculated and fitted to a revealing analytic form. This is the critical quantity determining dislocation mobility in the DD simulations, and the present activation enthalpy is found to be in good agreement with the previous empirical form used to explain the temperature dependence of the yield stress

  18. Prediction of Precipitation Strengthening in the Commercial Mg Alloy AZ91 Using Dislocation Dynamics

    Science.gov (United States)

    Aagesen, L. K.; Miao, J.; Allison, J. E.; Aubry, S.; Arsenlis, A.

    2018-03-01

    Dislocation dynamics simulations were used to predict the strengthening of a commercial magnesium alloy, AZ91, due to β-Mg17Al12 formed in the continuous precipitation mode. The precipitate distributions used in simulations were determined based on experimental characterization of the sizes, shapes, and number densities of the precipitates for 10-hour aging and 50-hour aging. For dislocations gliding on the basal plane, which is expected to be the dominant contributor to plastic deformation at room temperature, the critical resolved shear stress to bypass the precipitate distribution was 3.5 MPa for the 10-hour aged sample and 16.0 MPa for the 50-hour aged sample. The simulation results were compared to an analytical model of strengthening in this alloy, and the analytical model was found to predict critical resolved shear stresses that were approximately 30 pct lower. A model for the total yield strength was developed and compared with experiment for the 50-hour aged sample. The predicted yield strength, which included the precipitate strengthening contribution from the DD simulations, was 132.0 MPa, in good agreement with the measured yield strength of 141 MPa.

  19. Molecular dynamics simulation of edge dislocation piled at cuboidal precipitate in Ni-based superalloy

    International Nuclear Information System (INIS)

    Yashiro, Kisaragi; Naito, Masato; Tomita, Yoshihiro

    2003-01-01

    In order to clarify the fundamental mechanism of dislocations in the γ/γ' microstructure of Ni-based superalloy, three molecular dynamics simulations are conducted on the behavior of edge dislocations nucleated from a free surface and proceeding in the pure Ni matrix (γ) toward cuboidal Ni 3 Al precipitates (γ') under shear force. One involves dislocations near the apices of two precipitates adjoining each other with the distance of 0.04 μm, as large as the width of the γ channel in real superalloys. Others simulate dislocations piled at the precipitates as well, however, the scale of the microstructure is smaller than that in real superalloys by one order of magnitude, and one of them have precipitates with atomistically sharp edge. Dislocations are pinned at precipitates and bowed-out in the γ channel, then they begin to penetrate into the precipitate at the edge in both the real-scale and smaller microstructures when the precipitates have blunt edges. On the other hand, an edge dislocation splits into a superpartial in the γ' precipitate and a misfit screw dislocation bridging between two adjacent precipitates at the atomistically sharp edge of γ' precipitates. It is also observed that two superpartials glide in the precipitate as a superdislocation with anti-phase boundary (APB), of which the width is evaluated to be about 4 nm. (author)

  20. Dislocation mechanism of void growth at twin boundary of nanotwinned nickel based on molecular dynamics simulation

    International Nuclear Information System (INIS)

    Zhang, Yanqiu; Jiang, Shuyong; Zhu, Xiaoming; Zhao, Yanan

    2016-01-01

    Molecular dynamics simulation was performed to investigate dislocation mechanism of void growth at twin boundary (TB) of nanotwinned nickel. Simulation results show that the deformation of nanotwinned nickel containing a void at TB is dominated by the slip involving both leading and trailing partials, where the trailing partials are the dissociation products of stair-rod dislocations formed by the leading partials. The growth of a void at TB is attributed to the successive emission of the leading partials followed by trailing partials as well as the escape of these partial dislocations from the void surface. - Highlights: • Dislocation mechanism of void growth at TB of nanotwinned nickel is investigated. • Deformation of the nanotwinned nickel is dominated by leading and trailing partials. • Growth of void at TB is caused by successive emission and escape of these partials.

  1. Modeling of dislocation generation and interaction during high-speed deformation of metals

    DEFF Research Database (Denmark)

    Schiøtz, J.; Leffers, T.; Singh, B.N.

    2002-01-01

    Recent experiments by Kiritani et al. [1] have revealed a surprisingly high rate of vacancy production during highspeed deformation of thin foils of fcc metals. Virtually no dislocations are seen after the deformation. This is interpreted as evidence for a dislocation-free deformation mechanism...... at very high strain rates. We have used molecular-dynamics simulations to investigate high-speed deformation of copper crystals. Even though no pre-existing dislocation sources are present in the initial system, dislocations are quickly nucleated and a very high dislocation density is reached during...... the deformation. Due to the high density of dislocations, many inelastic interactions occur between dislocations, resulting in the generation of vacancies. After the deformation, a very high density of vacancies is observed, in agreement with the experimental observations. The processes responsible...

  2. Influence of dynamic dislocation drag on amplitude dependences of damping decrement and modulus defect in lead

    International Nuclear Information System (INIS)

    Soifer, Y.M.; Golosovskii, M.A.; Kobelev, N.P.

    1981-01-01

    A study was made of the amplitude dependences of the damping decrement and the modulus defect in lead at low temperatures at frequencies of 100 kHz and 5 MHz. It was shown that in pure lead at high frequencies a change in the amplitude dependences of the damping decrement and the modulus defect under the superconducting transition is due mainly to the change in the losses caused by the dynamic drag of dislocations whereas in measurements at low frequencies the influence of the superconducting transition is due to the change in the conditions of dislocation unpinning from point defects. The influence of the dynamic dislocation drag on the amplitude dependences of the damping decrement and the modulus defect is calculated and a method is presented for experimental estimation of the contribution of dynamic effects to the amplitude-dependent internal friction

  3. Dislocation glide in Ni-Al solid solutions from the atomic scale up: a molecular dynamics study

    International Nuclear Information System (INIS)

    Rodary, E.

    2003-01-01

    The glide of an edge dislocation in solid solutions is studied by molecular dynamics, at fixed temperature and imposed external stress. We have optimized an EAM potential for Ni(1 a 8% A1): it well reproduces the lattice expansion, local atomic order, stacking fault energy as a function of composition, as well as the elastic properties of the γ' phase with L1 2 structure. On increasing the stress, the dislocation is first immobile, then glides with a velocity proportional to the stress and the velocity saturates on reaching the transverse sound velocity. However, only beyond a static threshold stress, σ s , does the dislocation glide a distance large enough to allow macroscopic shear; the linear part of the velocity-stress curve extrapolates to zero at a dynamical threshold stress, σ d , The friction coefficient, and the threshold stresses (σ s and σ d ), increase with the A1 concentration and decrease with temperature (300 and 500 K). Close to the critical shear stress, σ s , the dislocation glide is analysed with a 'stop and go' model. The latter yields the flight velocity between obstacles, the mean obstacle density and the distribution of the waiting time on each obstacle as a function of stress, composition and temperature. The obstacle to the glide is proposed to be the strong repulsion between Al atoms brought into nearest neighbour position by the glide process, and not the dislocation-solute interaction. The microscopic parameters so defined are introduced into a micro-mechanical model, which well reproduces the known behaviour of nickel base solid solutions. (author)

  4. 3-D Spherical Convection Modeling Applied to Mercury: Dislocation Versus Diffusion Rheology

    Science.gov (United States)

    Robertson, S. D.; King, S. D.

    2016-12-01

    Mercury is the smallest among the terrestrial planets and, prior to NASA's MESSENGER mission was thought to be the least tectonically and volcanically active body. Gravity and moment of inertia from MESSENGER constrain Mercury to have a thin silicate mantle shell of approximately 400 km over a massive iron core. This mantle is thinner than previously thought and the smallest end-member in comparison with the other terrestrial planets. Although Mercury currently has a stagnant lid and the present day mantle is likely not convecting, a significant proportion of Mercury's surface features could have been derived from convection in the viscous mantle. Given Mercury's small size, the amount of volcanism and tectonic activity was a surprise. We investigate the effect of dislocation creep rheology in olivine on the dynamics of Mercury. At the pressures and temperatures of Mercury's mantle, laboratory creep studies indicate that olivine deforms by dislocation creep. Previous studies using diffusion creep rheology find that the thin mantle shell of Mercury quickly becomes diffusive and, this is difficult to reconcile with the surface observations. We use the three-dimensional spherical code, CitcomS, to compare numerical models with both dislocation and diffusion creep. We compare gravity, topography, and mantle temperature as a function of time from the models with constraints on the timing of volcanic and tectonic activity on Mercury. The results show that with the dislocation creep mechanism, there is potential for convective flow in the mantle over billions of years. In contrast, models with the diffusion creep mechanism start with a convecting mantle that transitions to global diffusive cooling within 500 Myrs. Diffusion creep rheology does not adequately produce a dynamic interior that is consistent with the historical volcanic and tectonic evolution of the planet. This research is the result of participation in GLADE, a nine-week summer REU program directed by Dave

  5. Dislocation-stacking fault tetrahedron interaction: what can we learn from atomic-scale modelling

    International Nuclear Information System (INIS)

    Osetsky, Yu.N.; Stoller, R.E.; Matsukawa, Y.

    2004-01-01

    The high number density of stacking fault tetrahedra (SFTs) observed in irradiated fcc metals suggests that they should contribute to radiation-induced hardening and, therefore, taken into account when estimating mechanical properties changes of irradiated materials. The central issue is describing the individual interaction between a moving dislocation and an SFT, which is characterized by a very fine size scale, ∼100 nm. This scale is amenable to both in situ TEM experiments and large-scale atomic modelling. In this paper we present results of an atomistic simulation of dislocation-SFT interactions using molecular dynamics (MD). The results are compared with observations from in situ deformation experiments. It is demonstrated that in some cases the simulations and experimental observations are quite similar, suggesting a reasonable interpretation of experimental observations

  6. An atomic string model for a screw dislocation in iron: Implications for the development of interatomic potentials

    International Nuclear Information System (INIS)

    Gilbert, M.R.; Dudarev, S.L.; Chiesa, S.; Derlet, P.M.

    2009-01-01

    Thermally activated motion of screw dislocations is the rate-determining mechanism for plastic deformation and fracture of body centred cubic (bcc) metals and alloys. Recent experimental observations by S.G. Roberts' group at Oxford showed that ductile-brittle behaviour of bcc vanadium, tungsten, pure iron, and iron-chromium alloys is controlled by an Arrhenius process in which the energy for thermal activation is proportional to the formation energy for a double kink on a b= 1/2 screw dislocation, where b is the Burgers vector of the dislocation. Interpreting these experimental observations and extending the analysis to the case of irradiated materials requires developing a full quantitative treatment for perfect and kinked screw dislocations. Modelling screw dislocations also presents a challenge for the development of interatomic potentials. Recent density functional theory (DFT) calculations have revealed that the ground-state structure of the core of screw dislocations in all the bcc transition metals is non-degenerate and symmetric, whereas inter-atomic potentials used in molecular dynamics simulations for these metals often predict a degenerate, symmetry-broken core-structure. In this work we show how, by treating the structure of a screw dislocation within a multistring Frenkel-Kontorova model, we can develop a criterion that guarantees the correct symmetric core of the dislocation. Extending this treatment, we find a systematic recipe for constructing Finnis-Sinclair-type potentials that are able, as a matter of routine, produce non-degenerate core structures of 1/2 screw dislocations. Modelling thermally activated mobility of screw dislocations also requires that the transition pathway between stable core positions of a dislocation is accurately reproduced. DFT data indicates that the shape of the 'Peierls energy barrier' is a single-hump curve, including transitional configurations close to the so-called 'hard' structure. Interatomic potentials have, up

  7. Molecular dynamics simulation of mode-I-crack propagation and dislocation generation processes in α-Fe

    International Nuclear Information System (INIS)

    Wang Jianwei; Lu Guocai; Shang Xinchun

    2011-01-01

    The process of I-mode crack propagations in α-Fe for uniaxial tension experiments are simulated by molecular dynamics (MD) methods. The formation process of dislocation and fracture mechanisms in the crack growing under various temperatures were studied. The results show that the crack propagation is a process of successive emission of dislocation. The dislocation-free zone and the stacking faults were initially formed at crack tip. When the stress K I increased into 0. 566 MPam 1/2 , one layer of atoms near crack tip would be separated into two layers which produced a dislocation. The first dislocation was emitted when stress K I reached 0.669 MPam 1/2 . With the temperature increasing, the critical stress intensity factor decreased gradually and the dislocation emission correspondingly became faster as well. (authors)

  8. Using a scalar parameter to trace dislocation evolution in atomistic modeling

    Energy Technology Data Exchange (ETDEWEB)

    Yang, Jinbo [ORNL; Zhang, Z F [Shenyang National Laboratory for Materials Science; Osetskiy, Yury N [ORNL; Stoller, Roger E [ORNL

    2015-01-01

    A scalar gamma-parameter is proposed from the Nye tensor. Its maximum value occurs along a dislocation line, either straight or curved, when the coordinate system is purposely chosen. This parameter can be easily obtained from the Nye tensor calculated at each atom in atomistic modeling. Using the gamma-parameter, a fully automated approach is developed to determine core atoms and the Burgers vectors of dislocations simultaneously. The approach is validated by revealing the smallest dislocation loop and by tracing the whole formation process of complicated dislocation networks on the fly.

  9. 3D DDD modelling of dislocation-precipitate interaction in a nickel-based single crystal superalloy under cyclic deformation

    Science.gov (United States)

    Lin, Bing; Huang, Minsheng; Zhao, Liguo; Roy, Anish; Silberschmidt, Vadim; Barnard, Nick; Whittaker, Mark; McColvin, Gordon

    2018-06-01

    Strain-controlled cyclic deformation of a nickel-based single crystal superalloy has been modelled using three-dimensional (3D) discrete dislocation dynamics (DDD) for both [0 0 1] and [1 1 1] orientations. The work focused on the interaction between dislocations and precipitates during cyclic plastic deformation at elevated temperature, which has not been well studied yet. A representative volume element with cubic γ‧-precipitates was chosen to represent the material, with enforced periodical boundary conditions. In particular, cutting of superdislocations into precipitates was simulated by a back-force method. The global cyclic stress-strain responses were captured well by the DDD model when compared to experimental data, particularly the effects of crystallographic orientation. Dislocation evolution showed that considerably high density of dislocations was produced for [1 1 1] orientation when compared to [0 0 1] orientation. Cutting of dislocations into the precipitates had a significant effect on the plastic deformation, leading to material softening. Contour plots of in-plane shear strain proved the development of heterogeneous strain field, resulting in the formation of shear-band embryos.

  10. A 3D dislocation dynamics analysis of the size effect on the strength of [1 1 1] LiF micropillars at 300K and 600K

    International Nuclear Information System (INIS)

    Chang, Hyung-Jun; Segurado, Javier; Molina-Aldareguía, Jon M; Soler, Rafael

    2016-01-01

    The mechanical behavior in compression of [1 1 1] LiF micropillars with diameters in the range 0.5 μm to 2.0 μm was analyzed by means of discrete dislocation dynamics at ambient and elevated temperature. The dislocation velocity was obtained from the Peach–Koehler force acting on the dislocation segments from a thermally-activated model that accounted for the influence of temperature on the lattice resistance. A size effect of the type ‘smaller is stronger’ was predicted by the simulations, which was in quantitative agreement with previous experimental results by the authors [1]. The contribution of the different physical deformation mechanisms to the size effect (namely, nucleation of dislocations, dislocation exhaustion and forest hardening) could be ascertained from the simulations and the dominant deformation mode could be assessed as a function of the specimen size and temperature. These results shed light into the complex interaction among size, lattice resistance and dislocation mobility in the mechanical behavior of μm-sized single crystals. (paper)

  11. A 3D dislocation dynamics analysis of the size effect on the strength of [1 1 1] LiF micropillars at 300K and 600K

    Science.gov (United States)

    Chang, Hyung-Jun; Segurado, Javier; Molina-Aldareguía, Jon M.; Soler, Rafael; LLorca, Javier

    2016-03-01

    The mechanical behavior in compression of [1 1 1] LiF micropillars with diameters in the range 0.5 μm to 2.0 μm was analyzed by means of discrete dislocation dynamics at ambient and elevated temperature. The dislocation velocity was obtained from the Peach-Koehler force acting on the dislocation segments from a thermally-activated model that accounted for the influence of temperature on the lattice resistance. A size effect of the type ‘smaller is stronger’ was predicted by the simulations, which was in quantitative agreement with previous experimental results by the authors [1]. The contribution of the different physical deformation mechanisms to the size effect (namely, nucleation of dislocations, dislocation exhaustion and forest hardening) could be ascertained from the simulations and the dominant deformation mode could be assessed as a function of the specimen size and temperature. These results shed light into the complex interaction among size, lattice resistance and dislocation mobility in the mechanical behavior of μm-sized single crystals.

  12. 3D Discrete Dislocation Dynamics: Influence of Segment Mobility on Critical Shear Stress

    Czech Academy of Sciences Publication Activity Database

    Záležák, Tomáš; Dlouhý, Antonín

    2015-01-01

    Roč. 128, č. 4 (2015), s. 654-656 ISSN 0587-4246. [ISPMA 13 - International Symposium on Physics of Materials /13./. Praha, 31.08.2014-04.09.2014] R&D Projects: GA MŠk(CZ) EE2.3.20.0214; GA ČR(CZ) GA14-22834S Institutional support: RVO:68081723 Keywords : metal matrix composites * discrete dislocation dynamics * high temperature creep Subject RIV: JG - Metallurgy Impact factor: 0.525, year: 2015

  13. Dislocation glide in Ni-Al solid solutions from the atomic scale up: a molecular dynamics study; Etude du glissement des dislocations dans la solution solide Ni-Al par simulation a l'echelle atomique

    Energy Technology Data Exchange (ETDEWEB)

    Rodary, E

    2003-01-01

    The glide of an edge dislocation in solid solutions is studied by molecular dynamics, at fixed temperature and imposed external stress. We have optimized an EAM potential for Ni(1 a 8% A1): it well reproduces the lattice expansion, local atomic order, stacking fault energy as a function of composition, as well as the elastic properties of the {gamma}' phase with L1{sub 2} structure. On increasing the stress, the dislocation is first immobile, then glides with a velocity proportional to the stress and the velocity saturates on reaching the transverse sound velocity. However, only beyond a static threshold stress, {sigma}{sub s}, does the dislocation glide a distance large enough to allow macroscopic shear; the linear part of the velocity-stress curve extrapolates to zero at a dynamical threshold stress, {sigma}{sub d}, The friction coefficient, and the threshold stresses ({sigma}{sub s} and {sigma}{sub d}), increase with the A1 concentration and decrease with temperature (300 and 500 K). Close to the critical shear stress, {sigma}{sub s}, the dislocation glide is analysed with a 'stop and go' model. The latter yields the flight velocity between obstacles, the mean obstacle density and the distribution of the waiting time on each obstacle as a function of stress, composition and temperature. The obstacle to the glide is proposed to be the strong repulsion between Al atoms brought into nearest neighbour position by the glide process, and not the dislocation-solute interaction. The microscopic parameters so defined are introduced into a micro-mechanical model, which well reproduces the known behaviour of nickel base solid solutions. (author)

  14. Enabling microstructural changes of FCC/BCC alloys in 2D dislocation dynamics

    Energy Technology Data Exchange (ETDEWEB)

    Ilker Topuz, Ahmet, E-mail: aitopuz@gmail.com

    2015-03-11

    Dimension reduction procedure is the recipe to represent defects in two dimensional dislocation dynamics according to the changes in the geometrical properties of the defects triggered by different conditions such as radiation, high temperature, or pressure. In the present study, this procedure is extended to incorporate further features related to the presence of defects with a special focus on face-centered cubic/body-centered cubic alloys used for diverse engineering purposes. In order to reflect the microstructural state of the alloy on the computational cell of two dimensional dislocation dynamics, the distribution of the multi-type defects over slip lines is implemented by using corresponding strength and line spacing for each type of defect. Additionally, a simple recursive incremental relation is set to count the loop accumulation on the precipitates. In the case of continuous resistance against the motion of edge dislocations on the slip lines, an expression of friction is introduced to see its contribution on the yield strength. Each new property is applied independently on a different material by using experimental information about defect properties and grain sizes under the condition of plain strain deformation: both constant and dynamically increasing obstacle strength for precipitate coarsening in prime-aged and heat-treated copper-chromium-zirconium, internal friction in tantalum-2.5tungsten, and mixed hardening due to the presence of precipitates and prismatic loops in irradiated oxide dispersion strengthened EUROFER with 0.3% yttria.

  15. Molecular dynamics simulations of thermally activated edge dislocation unpinning from voids in α -Fe

    Science.gov (United States)

    Byggmästar, J.; Granberg, F.; Nordlund, K.

    2017-10-01

    In this study, thermal unpinning of edge dislocations from voids in α -Fe is investigated by means of molecular dynamics simulations. The activation energy as a function of shear stress and temperature is systematically determined. Simulations with a constant applied stress are compared with dynamic simulations with a constant strain rate. We found that a constant applied stress results in a temperature-dependent activation energy. The temperature dependence is attributed to the elastic softening of iron. If the stress is normalized with the softening of the specific shear modulus, the activation energy is shown to be temperature-independent. From the dynamic simulations, the activation energy as a function of critical shear stress was determined using previously developed methods. The results from the dynamic simulations are in good agreement with the constant stress simulations, after the normalization. This indicates that the computationally more efficient dynamic method can be used to obtain the activation energy as a function of stress and temperature. The obtained relation between stress, temperature, and activation energy can be used to introduce a stochastic unpinning event in larger-scale simulation methods, such as discrete dislocation dynamics.

  16. Microstructure-sensitive modelling of dislocation creep in polycrystalline FCC alloys: Orowan theory revisited

    Energy Technology Data Exchange (ETDEWEB)

    Galindo-Nava, E.I., E-mail: eg375@cam.ac.uk; Rae, C.M.F.

    2016-01-10

    A new approach for modelling dislocation creep during primary and secondary creep in FCC metals is proposed. The Orowan equation and dislocation behaviour at the grain scale are revisited to include the effects of different microstructures such as the grain size and solute atoms. Dislocation activity is proposed to follow a jog-diffusion law. It is shown that the activation energy for cross-slip E{sub cs} controls dislocation mobility and the strain increments during secondary creep. This is confirmed by successfully comparing E{sub cs} with the experimentally determined activation energy during secondary creep in 5 FCC metals. It is shown that the inverse relationship between the grain size and dislocation creep is attributed to the higher number of strain increments at the grain level dominating their magnitude as the grain size decreases. An alternative approach describing solid solution strengthening effects in nickel alloys is presented, where the dislocation mobility is reduced by dislocation pinning around solute atoms. An analysis on the solid solution strengthening effects of typical elements employed in Ni-base superalloys is also discussed. The model results are validated against measurements of Cu, Ni, Ti and 4 Ni-base alloys for wide deformation conditions and different grain sizes.

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

    International Nuclear Information System (INIS)

    Huang, Jin

    1989-01-01

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

  18. Solute strengthening of both mobile and forest dislocations: The origin of dynamic strain aging in fcc metals

    International Nuclear Information System (INIS)

    Soare, M.A.; Curtin, W.A.

    2008-01-01

    A full rate-dependent constitutive theory for dynamic strain aging is developed based on two key ideas. The first idea is that both solute strengthening and forest strengthening must exist and must exhibit aging phenomena. The second idea is that a single physical aging mechanism, cross-core diffusion within a dislocation core, controls the aging of both the solute and forest strengthening mechanisms. All the material parameters in the model, apart from forest dislocation density evolution parameters, are derivable from atomistic-scale studies so that the theory contains essentially no adjustable parameters. The model predicts the steady-state stress/strain/strain-rate/temperature/concentration dependent material response for a variety of Al-Mg alloys, including negative strain-rate sensitivity, in qualitative and quantitative agreement with available experiments. The model also reveals the origin of non-additivity of solute and forest strengthening, and explains observed non-standard transient stress behavior in strain-rate jump tests

  19. Non-planar dislocations: 3D models and thermally-activated glide processes

    International Nuclear Information System (INIS)

    Ngan, A.H.W.

    2005-01-01

    In recent years, there has been a renewed interest in studying the cross-slip of screw dislocations in the simple face-centred cubic (FCC) structure. This paper serves to address parallel developments in modelling the cross-slip of screw dislocations in the body-centred cubic (BCC) structure and the ordered L1 2 structure. In the latter two cases, the dislocation cores have non-planar spreading offering high intrinsic Peierls stresses. The flow behaviours of these materials, such as the non-Schmid behaviour and temperature-dependence of flow stress, are largely due to the behaviours of single dislocations. 3D atomistic modelling of the minimum-energy path for the glide processes in these cases is performed with an aim to reconcile with experimentally determined activation energies for slip

  20. Model for the evolution of network dislocation density in irradiated metals

    International Nuclear Information System (INIS)

    Garner, F.A.; Wolfer, W.G.

    1982-01-01

    It is a well-known fact that the total dislocation density that evolves in irradiated metals is a strong function of irradiation temperature. The dislocation density comprises two components, however, and only one of these (Frank loops) retains its temperature dependence at high fluence. The network dislocation density approaches a saturation level which is relatively insensitive to starting microstructure, stress, irradiation temperature, displacement rate and helium level. The latter statement is supported in this paper by a review of published microstructural data. A model has been developed to explain the insensitivity to many variables of the saturation network dislocation density in irradiated metals. This model also explains how the rate of approach to saturation can be sensitive to displacement rate and temperature while the saturation level itself is not dependent on temperature

  1. Coarse-grained elastodynamics of fast moving dislocations

    International Nuclear Information System (INIS)

    Xiong, Liming; Rigelesaiyin, Ji; Chen, Xiang; Xu, Shuozhi; McDowell, David L.; Chen, Youping

    2016-01-01

    The fundamental mechanism of dynamic plasticity in metallic materials subjected to shock loading remains unclear because it is difficult to obtain the precise information of individual fast moving dislocations in metals from the state-of-the-art experiments. In this work, the dynamics of sonic dislocations in anisotropic crystalline materials is explored through a concurrent atomistic-continuum modeling method. We make a first attempt to characterize the complexity of nonuniformly moving dislocations in anisotropic crystals from atomistic to microscale, including the energy intensities as well as the wavelengths of acoustic phonons emitted from sonic dislocations, and the velocity-dependent stress fluctuations around the core of nonuniformly moving dislocations. Instantaneous dislocation velocities and phonon drag effects on the dislocation motions are quantified and analyzed. Mach cones in a V-shaped pattern of the phonon wave-fronts are observed in the wake of the sonic dislocations. Analysis of simulation results based on a wavelet transform show that the faster a dislocation is moving, the longer the emitted phonon wavelength. The dislocation velocity drops dramatically with the occurrence of the interactions between dislocations and phonon waves reflected from the boundaries of specimens. The concurrent atomistic-continuum modeling framework is demonstrated to be the first multiscale method that explicitly treats the strong coupling between the long-range elastic fields away from the dislocation core, the highly nonlinear time-dependent stress field within the core, and the evolutions of the atomic-scale dislocation core structures. As such, it is shown that this method is capable in predicting elastodynamics of dislocations in the presence of inertia effects associated with sonic dislocations in micron-sized anisotropic crystalline materials from the atomic level, which is not directly accessible to the recent elastodynamic discrete dislocation model.

  2. Impact of screw and edge dislocations on the thermal conductivity of individual nanowires and bulk GaN: a molecular dynamics study.

    Science.gov (United States)

    Termentzidis, Konstantinos; Isaiev, Mykola; Salnikova, Anastasiia; Belabbas, Imad; Lacroix, David; Kioseoglou, Joseph

    2018-02-14

    We report the thermal transport properties of wurtzite GaN in the presence of dislocations using molecular dynamics simulations. A variety of isolated dislocations in a nanowire configuration are analyzed and found to considerably reduce the thermal conductivity while impacting its temperature dependence in a different manner. Isolated screw dislocations reduce the thermal conductivity by a factor of two, while the influence of edge dislocations is less pronounced. The relative reduction of thermal conductivity is correlated with the strain energy of each of the five studied types of dislocations and the nature of the bonds around the dislocation core. The temperature dependence of the thermal conductivity follows a physical law described by a T -1 variation in combination with an exponent factor that depends on the material's nature, type and the structural characteristics of the dislocation core. Furthermore, the impact of the dislocation density on the thermal conductivity of bulk GaN is examined. The variation and absolute values of the total thermal conductivity as a function of the dislocation density are similar for defected systems with both screw and edge dislocations. Nevertheless, we reveal that the thermal conductivity tensors along the parallel and perpendicular directions to the dislocation lines are different. The discrepancy of the anisotropy of the thermal conductivity grows with increasing density of dislocations and it is more pronounced for the systems with edge dislocations. Besides the fundamental insights of the presented results, these could also be used for the identification of the type of dislocations when one experimentally obtains the evolution of thermal conductivity with temperature since each type of dislocation has a different signature, or one could extract the density of dislocations with a simple measurement of thermal anisotropy.

  3. Molecular dynamics study on the evolution of interfacial dislocation network and mechanical properties of Ni-based single crystal superalloys

    Science.gov (United States)

    Li, Nan-Lin; Wu, Wen-Ping; Nie, Kai

    2018-05-01

    The evolution of misfit dislocation network at γ /γ‧ phase interface and tensile mechanical properties of Ni-based single crystal superalloys at various temperatures and strain rates are studied by using molecular dynamics (MD) simulations. From the simulations, it is found that with the increase of loading, the dislocation network effectively inhibits dislocations emitted in the γ matrix cutting into the γ‧ phase and absorbs the matrix dislocations to strengthen itself which increases the stability of structure. Under the influence of the temperature, the initial mosaic structure of dislocation network gradually becomes irregular, and the initial misfit stress and the elastic modulus slowly decline as temperature increasing. On the other hand, with the increase of the strain rate, it almost has no effect on the elastic modulus and the way of evolution of dislocation network, but contributes to the increases of the yield stress and tensile strength. Moreover, tension-compression asymmetry of Ni-based single crystal superalloys is also presented based on MD simulations.

  4. Internal stress evolution in Fe laths deformed at low temperature analysed by dislocation dynamics simulations

    International Nuclear Information System (INIS)

    Chaussidon, Julien; Fivel, Marc; Robertson, Christian; Marini, Bernard

    2010-01-01

    Stress evolution in Fe laths undergoing plastic deformation is investigated using three-dimensional dislocation dynamics simulations adapted to body centred cubic crystals, in the ductile to brittle transition temperature range. The selected boundary conditions, applied stress tensor and initial dislocation structures account for the realistic microstructure observed in bainitic steels. The effective stress field projected in the three different {1 0 0}cleavage planes is calculated for two different temperatures (50 and 200 K) and presented quantitatively, in the form of stress/frequency diagrams. It is shown that plastic activity tends to relax the stress acting in certain cleavage planes (the (0 1 0) and (0 0 1) planes) while, at the same time, amplifying the stress acting in other cleavage planes (the (1 0 0) planes). The selective stress amplification in the latter planes depends on the applied load direction, in combination with the limited set of available slip systems and the lath geometry. In the examined configuration, this selection effect is more pronounced with decreasing temperature, emphasizing the role of thermally activated plasticity on deformation-induced stress concentrations

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

    DEFF Research Database (Denmark)

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

    2006-01-01

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

  6. Modelling the motion of {112-bar 2} twinning dislocations in the HCP metals

    International Nuclear Information System (INIS)

    Serra, A.; Bacon, D.J.

    2005-01-01

    Deformation twinning is important for plasticity of the hcp metals, but little is known about the dynamics of the mechanisms that control twin boundary motion. With the exception of the {112-bar 1} twin, atomic shuffles are required for glide of twinning dislocations and hence boundary movement is temperature-dependent. A computer method has been developed to simulate a step with dislocation character in a boundary with full periodicity in the boundary plane, i.e. along both the direction of the line of the defect and its direction of motion. It may be used to investigate the properties of such interfaces as the defects in them move over large distances. We explain the nature of the method and apply it to study the motion of twinning dislocations in the {112-bar 2} boundary as a function of applied stress and temperature. A new reaction at the boundary leading to the creation of a (c+a) crystal dislocation and a {112-bar 1} micro-twin is described

  7. Selection of earthquake resistant design criteria for nuclear power plants: Methodology and technical cases: Dislocation models of near-source earthquake ground motion: A review

    International Nuclear Information System (INIS)

    Luco, J.E.

    1987-05-01

    The solutions available for a number of dynamic dislocation fault models are examined in an attempt at establishing some of the expected characteristics of earthquake ground motion in the near-source region. In particular, solutions for two-dimensional anti-plane shear and plane-strain models as well as for three-dimensional fault models in full space, uniform half-space and layered half-space media are reviewed

  8. Molecular dynamics study on the interaction of a dislocation and radiation induced defect clusters in Fcc crystals

    International Nuclear Information System (INIS)

    Hideo, Kaburaki; Tomoko, Kadoyoshi; Futoshi, Shimizu; Hajime; Kimizuka; Shiro, Jitsukawa

    2003-01-01

    Irradiation of high-energy neutrons and charged particles into solids is known to cause a significant change in mechanical properties, in particular, hardening of metals. Hardening of solids arises as a result of interactions of dislocations with irradiation induced defect clusters. Molecular dynamics method combined with the visualization method has been used to elucidate these complex pinning structures in details. In particular, we have successfully observed the transient process for the formation of a super-jog from an edge dislocation and interstitial and vacancy clusters under irradiation cascade conditions. Parallel molecular dynamics programs, called as Parallel Molecular Dynamics Stencil (PMDS), have been developed in order to perform these large scale simulations for materials simulations. The contents of the program and its parallel performance are also reported. (authors)

  9. Modelling dislocation-obstacle interactions in metals exposed to an irradiation environment

    International Nuclear Information System (INIS)

    Bacon, D.J.; Osetsky, Yu.N.

    2005-01-01

    Irradiation of metals with high-energy atomic particles creates obstacles to glide, such as voids, dislocation loops, stacking-fault tetrahedra and irradiation-induced precipitates through which dislocations have to move during plastic flow. Approximations based on the elasticity theory of defects offer the simplest treatment of strengthening, but are deficient in many respects. It is now widely recognised that a multiscale modelling approach should be used, wherein the mechanisms and strength parameters of interaction are derived by simulation of the atomic level to feed higher-level treatments based on continuum mechanics. Atomic-scale simulation has been developed to provide quantitative information on the influence of stress, strain rate and temperature. Recent results of modelling dislocations gliding under stress against obstacles in a variety of metals across a range of temperature are considered. The effects observed include cutting, absorbing and dragging obstacles. Simulations of 0 K provide for direct comparison with results from continuum mechanics, and although some processes can be represented within the continuum treatment of dislocations, others cannot

  10. Sink efficiency calculation of dislocations in irradiated materials by phase-field modelling

    International Nuclear Information System (INIS)

    Rouchette, Adrien

    2015-01-01

    The aim of this work is to develop a modelling technique for diffusion of crystallographic migrating defects in irradiated metals and absorption by sinks to better predict the microstructural evolution in those materials.The phase field technique is well suited for this problem, since it naturally takes into account the elastic effects of dislocations on point defect diffusion in the most complex cases. The phase field model presented in this work has been adapted to simulate the generation of defects by irradiation and their absorption by the dislocation cores by means of a new order parameter associated to the sink morphology. The method has first been validated in different reference cases by comparing the sink strengths obtained numerically with analytical solutions available in the literature. Then, the method has been applied to dislocations with different orientations in zirconium, taking into account the anisotropic properties of the crystal and point defects, obtained by state-of-the-art atomic calculations.The results show that the shape anisotropy of the point defects promotes the vacancy absorption by basal loops, which is consistent with the experimentally observed zirconium growth under irradiation. Finally, the rigorous investigation of the dislocation loop case proves that phase field simulations give more accurate results than analytical solutions in realistic loop density ranges. (author)

  11. Reduced Moment-Based Models for Oxygen Precipitates and Dislocation Loops in Silicon

    Science.gov (United States)

    Trzynadlowski, Bart

    The demand for ever smaller, higher-performance integrated circuits and more efficient, cost-effective solar cells continues to push the frontiers of process technology. Fabrication of silicon devices requires extremely precise control of impurities and crystallographic defects. Failure to do so not only reduces performance, efficiency, and yield, it threatens the very survival of commercial enterprises in today's fiercely competitive and price-sensitive global market. The presence of oxygen in silicon is an unavoidable consequence of the Czochralski process, which remains the most popular method for large-scale production of single-crystal silicon. Oxygen precipitates that form during thermal processing cause distortion of the surrounding silicon lattice and can lead to the formation of dislocation loops. Localized deformation caused by both of these defects introduces potential wells that trap diffusing impurities such as metal atoms, which is highly desirable if done far away from sensitive device regions. Unfortunately, dislocations also reduce the mechanical strength of silicon, which can cause wafer warpage and breakage. Engineers must negotiate this and other complex tradeoffs when designing fabrication processes. Accomplishing this in a complex, modern process involving a large number of thermal steps is impossible without the aid of computational models. In this dissertation, new models for oxygen precipitation and dislocation loop evolution are described. An oxygen model using kinetic rate equations to evolve the complete precipitate size distribution was developed first. This was then used to create a reduced model tracking only the moments of the size distribution. The moment-based model was found to run significantly faster than its full counterpart while accurately capturing the evolution of oxygen precipitates. The reduced model was fitted to experimental data and a sensitivity analysis was performed to assess the robustness of the results. Source

  12. Microscopically derived free energy of dislocations

    NARCIS (Netherlands)

    Kooiman, M.; Hütter, M.; Geers, M.G.D.

    2015-01-01

    The dynamics of large amounts of dislocations is the governing mechanism in metal plasticity. The free energy of a continuous dislocation density profile plays a crucial role in the description of the dynamics of dislocations, as free energy derivatives act as the driving forces of dislocation

  13. Hybrid discrete dislocation models for fatigue crack growth

    NARCIS (Netherlands)

    Curtin, W. A.; Deshpande, V. S.; Needleman, A.; Van der Giessen, E.; Wallin, M.

    A framework for accurately modeling fatigue crack growth in ductile crystalline solids is necessarily multiscale The creation of new free surface occurs at the atomistic scale, where the material's cohesive strength is controlled by the local chemistry On the other hand, significant dissipation

  14. Dynamic mechanical behaviour and dislocation substructure evolution of Inconel 718 over wide temperature range

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Woei-Shyan, E-mail: wslee@mail.ncku.edu.tw [Department of Mechanical Engineering, National Cheng Kung University, Tainan 701, Taiwan (China); Lin, Chi-Feng [National Center for High-Performance Computing, Hsin-Shi Tainan County 744, Taiwan (China); Chen, Tao-Hsing [Department of Mechanical Engineering, National Kaohsiung University of Applied Sciences, Kaohsiung 807, Taiwan (China); Chen, Hong-Wei [Department of Mechanical Engineering, National Cheng Kung University, Tainan 701, Taiwan (China)

    2011-07-25

    A compressive split-Hopkinson pressure bar and transmission electron microscope (TEM) are used to investigate the mechanical behaviour and microstructural evolution of Inconel 718 at strain rates ranging from 1000 to 5000 s{sup -1} and temperatures between -150 and 550 deg. C. The results show that the flow stress increases with an increasing strain rate or a reducing temperature. The strain rate effect is particularly pronounced at strain rates greater than 3000 s{sup -1} and a deformation temperature of -150 deg. C. A significant thermal softening effect occurs at temperatures between -150 and 25 deg. C. The microstructural observations reveal that the strengthening effect in deformed Inconel 718 alloy is a result primarily of dislocation multiplication. The dislocation density increases with increasing strain rate, but decreases with increasing temperature. By contrast, the dislocation cell size decreases with increasing strain rate, but increases with increasing temperature. It is shown that the correlation between the flow stress, the dislocation density and the dislocation cell size is well described by the Bailey-Hirsch constitutive equations.

  15. Rate dependent inelastic behavior of polycrystalline solids using a dislocation model

    International Nuclear Information System (INIS)

    Werne, R.W.; Kelly, J.M.

    1980-01-01

    A rate dependent theory of polycrystalline plasticity is presented in which the solid is modeled as an isotropic continuum with internal variables. The rate of plastic deformation is shown to be a function of the deviatoric portion of the Cauchy stress tensor as well as two scalar internal variables. The scalar internal variables, which are the dislocation density and mobile fraction, are governed by rate equations which reflect the evolution of microstructural processes. The model has been incorporated into a two dimensional finite element code and several example multidimensional problems are presented which exhibit the rate dependence of the material model

  16. Static Recovery Modeling of Dislocation Density in a Cold Rolled Clad Aluminum Alloy

    Science.gov (United States)

    Penlington, Alex

    Clad alloys feature one or more different alloys bonded to the outside of a core alloy, with non-equilibrium, interalloy interfaces. There is limited understanding of the recovery and recrystallization behaviour of cold rolled clad aluminum alloys. In order to optimize the properties of such alloys, new heat treatment processes may be required that differ from what is used for the monolithic alloys. This study examines the recovery behaviour of a cold rolled Novelis Fusion(TM) alloy containing an AA6XXX core with an AA3003 cladding on one side. The bond between alloys appears microscopically discrete and continuous, but has a 30 microm wide chemical gradient. The as-deformed structure at the interalloy region consists of pancaked sub-grains with dislocations at the misorientation boundaries and a lower density organized within the more open interiors. X-ray line broadening was used to extract the dislocation density from the interalloy region and an equivalently deformed AA6XXX following static annealing using a modified Williamson-Hall analysis. This analysis assumed that Gaussian broadening contributions in a pseudo-Voigt function corresponded only to strain from dislocations. The kinetics of the dislocation density evolution to recrystallization were studied isothermally at 2 minute intervals, and isochronally at 175 and 205°C. The data fit the Nes model, in which the interalloy region recovered faster than AA6XXX at 175°C, but was slower at 205°C. This was most likely caused by change in texture and chemistry within this region such as over-aging of AA6XXX . Simulation of a continuous annealing and self homogenization process both with and without pre-recovery indicates a detectable, though small change in the texture and grain size in the interalloy region.

  17. Tensile testing study of dynamic interactions between dislocations and precipitate in vanadium alloys

    International Nuclear Information System (INIS)

    Tougou, Kouichi; Nogiwa, Kimihiro; Tachikawa, Kazuhiro; Fukumoto, Ken-ichi

    2013-01-01

    To investigate the hardening of fine Ti(OCN) precipitate, we performed in situ transmission electron microscopy (TEM) observations during tensile testing of dislocations gliding through fine Ti(OCN) precipitates in thermally aged V–4Cr–4Ti alloys. The obstacle strength parameter was estimated from the critical bow-out angle, ϕ, of the dislocation lines from the microstructural change during tensile deformation observed in the TEM images. From image processing analysis of the dislocation motion, the value of the obstacle strength parameter of Ti(OCN) precipitates of 4-nm size was determined to be 0.30. The increase in yield stress calculated from the measured dislocation behavior pinned around precipitates was Δσ in situ = 43 MPa, and the increase in yield stress measured by the micro-Vickers hardness test was Δσ HV = 49.5 MPa. Data from in situ TEM observations during tensile testing and from micro-Vickers hardness tests were in good agreement; thus, the obstacle strength parameter of the Ti(OCN) precipitates of 4-nm size was successfully obtained experimentally. The obstacle strength parameter also was compared with data from a previous study, and there was also quite good agreement. Therefore, the obstacle strength parameter obtained from this study is measurable and is a reliable measure of mechanical property changes following precipitation in V–4Cr–4Ti alloys

  18. High-resolution He beam scattering as a tool for the investigation of the structural and dynamical properties of surface soliton dislocations

    International Nuclear Information System (INIS)

    El-Batanouny, M.; Martini, K.M.

    1986-01-01

    We discuss the applicability of high-resolution-He-beam/surface scattering to the investigation of the structural and dynamic properties of soliton-like surface misfit dislocations and associated phase transitions. We present evidence, based on recent He diffraction measurements, for the existence of double-sine-Gordon soliton-like dislocations on the reconstructed Au(111) surface. 18 refs., 3 figs., 1 tab

  19. A unified dislocation density-dependent physical-based constitutive model for cold metal forming

    Science.gov (United States)

    Schacht, K.; Motaman, A. H.; Prahl, U.; Bleck, W.

    2017-10-01

    Dislocation-density-dependent physical-based constitutive models of metal plasticity while are computationally efficient and history-dependent, can accurately account for varying process parameters such as strain, strain rate and temperature; different loading modes such as continuous deformation, creep and relaxation; microscopic metallurgical processes; and varying chemical composition within an alloy family. Since these models are founded on essential phenomena dominating the deformation, they have a larger range of usability and validity. Also, they are suitable for manufacturing chain simulations since they can efficiently compute the cumulative effect of the various manufacturing processes by following the material state through the entire manufacturing chain and also interpass periods and give a realistic prediction of the material behavior and final product properties. In the physical-based constitutive model of cold metal plasticity introduced in this study, physical processes influencing cold and warm plastic deformation in polycrystalline metals are described using physical/metallurgical internal variables such as dislocation density and effective grain size. The evolution of these internal variables are calculated using adequate equations that describe the physical processes dominating the material behavior during cold plastic deformation. For validation, the model is numerically implemented in general implicit isotropic elasto-viscoplasticity algorithm as a user-defined material subroutine (UMAT) in ABAQUS/Standard and used for finite element simulation of upsetting tests and a complete cold forging cycle of case hardenable MnCr steel family.

  20. The glide of screw dislocations in bcc Fe: Atomistic static and dynamic simulations

    International Nuclear Information System (INIS)

    Chaussidon, Julien; Fivel, Marc; Rodney, David

    2006-01-01

    We present atomic-scale simulations of screw dislocation glide in bcc iron. Using two interatomic potentials that, respectively, predict degenerate and non-degenerate core structures, we compute the static 0 K dependence of the screw dislocation Peierls stress on crystal orientation and show strong boundary condition effects related to the generation of non-glide stress components. At finite temperatures we show that, with a non-degenerate core, glide by nucleation/propagation of kink-pairs in a {1 1 0} glide plane is obtained at low temperatures. A transition in the twinning region, towards an average {1 1 2} glide plane, with the formation of debris loops is observed at higher temperatures

  1. [Elbow dislocation].

    Science.gov (United States)

    de Pablo Márquez, B; Castillón Bernal, P; Bernaus Johnson, M C; Ibañez Aparicio, N M

    Elbow dislocation is the most frequent dislocation in the upper limb after shoulder dislocation. Closed reduction is feasible in outpatient care when there is no associated fracture. A review is presented of the different reduction procedures. Copyright © 2017 Sociedad Española de Médicos de Atención Primaria (SEMERGEN). Publicado por Elsevier España, S.L.U. All rights reserved.

  2. Subtalar dislocation

    International Nuclear Information System (INIS)

    El-Khoury, G.Y.; Yousefzadeh, D.K.; Mulligan, G.M.; Moore, T.E.

    1982-01-01

    Over a period of three years we have seen nine patients with subtalar dislocation, all of whom sustained violent trauma to the region of the ankle and hind foot. All but one patient were males. Clinically a subtalar dislocation resembles a complicated fracture dislocation of the ankle but a definitive diagnosis can only be made radiographically. The mechanism of injury and radiographic features of this injury are discussed. (orig.)

  3. Self-force on dislocation segments in anisotropic crystals

    International Nuclear Information System (INIS)

    Fitzgerald, S P; Aubry, S

    2010-01-01

    A dislocation segment in a crystal experiences a 'self-force', by virtue of the orientation dependence of its elastic energy. If the crystal is elastically isotropic, this force is manifested as a couple acting to rotate the segment toward the lower energy of the pure screw orientation (i.e. acting to align the dislocation line with its Burgers vector). If the crystal is anisotropic, there are additional contributions to the couple, arising from the more complex energy landscape of the lattice itself. These effects can strongly influence the dynamic evolution of dislocation networks, and via their governing role in dislocation multiplication phenomena, control plastic flow in metals. In this paper we develop a model for dislocation self-forces in a general anisotropic crystal, and briefly consider the technologically important example of α-iron, which becomes increasingly anisotropic as the temperature approaches that of the α-γ phase transition at 912 0 C.

  4. Hierarchical finite element modeling of SiCp/Al2124 T4 composites with dislocation plasticity and size dependent failure

    International Nuclear Information System (INIS)

    Suh, Yeong Sung; Kim, Yong Bae

    2012-01-01

    The strength of particle reinforced metal matrix composites is, in general, known to be increased by the geometrically necessary dislocations punched around a particle that form during cooling after consolidation because of coefficient of thermal expansion (CTE) mismatch between the particle and the matrix. An additional strength increase may also be observed, since another type of geometrically necessary dislocation can be formed during extensive deformation as a result of the strain gradient plasticity due to the elastic plastic mismatch between the particle and the matrix. In this paper, the magnitudes of these two types of dislocations are calculated based on the dislocation plasticity. The dislocations are then converted to the respective strengths and allocated hierarchically to the matrix around the particle in the axisymmetric finite element unit cell model. the proposed method is shown to be very effective by performing finite element strength analysis of SiC p /Al2124 T4 composites that included ductile in the matrix and particle matrix decohesion. The predicted results for different particle sizes and volume fractions show that the length scale effect of the particle size obviously affects the strength and failure behavior of the particle reinforced metal matrix composites

  5. Crystal plasticity model for BCC iron atomistically informed by kinetics of correlated kinkpair nucleation on screw dislocation

    Science.gov (United States)

    Narayanan, Sankar; McDowell, David L.; Zhu, Ting

    2014-04-01

    The mobility of dislocation in body-centered cubic (BCC) metals is controlled by the thermally activated nucleation of kinks along the dislocation core. By employing a recent interatomic potential and the Nudged Elastic Band method, we predict the atomistic saddle-point state of 1/2 screw dislocation motion in BCC iron that involves the nucleation of correlated kinkpairs and the resulting double superkinks. This unique process leads to a single-humped minimum energy path that governs the one-step activation of a screw dislocation to move into the adjacent {110} Peierls valley, which contrasts with the double-humped energy path and the two-step transition predicted by other interatomic potentials. Based on transition state theory, we use the atomistically computed, stress-dependent kinkpair activation parameters to inform a coarse-grained crystal plasticity flow rule. Our atomistically-informed crystal plasticity model quantitatively predicts the orientation dependent stress-strain behavior of BCC iron single crystals in a manner that is consistent with experimental results. The predicted temperature and strain-rate dependencies of the yield stress agree with experimental results in the 200-350 K temperature regime, and are rationalized by the small activation volumes associated with the kinkpair-mediated motion of screw dislocations.

  6. Thermal activation of dislocations in large scale obstacle bypass

    Science.gov (United States)

    Sobie, Cameron; Capolungo, Laurent; McDowell, David L.; Martinez, Enrique

    2017-08-01

    Dislocation dynamics simulations have been used extensively to predict hardening caused by dislocation-obstacle interactions, including irradiation defect hardening in the athermal case. Incorporating the role of thermal energy on these interactions is possible with a framework provided by harmonic transition state theory (HTST) enabling direct access to thermally activated reaction rates using the Arrhenius equation, including rates of dislocation-obstacle bypass processes. Moving beyond unit dislocation-defect reactions to a representative environment containing a large number of defects requires coarse-graining the activation energy barriers of a population of obstacles into an effective energy barrier that accurately represents the large scale collective process. The work presented here investigates the relationship between unit dislocation-defect bypass processes and the distribution of activation energy barriers calculated for ensemble bypass processes. A significant difference between these cases is observed, which is attributed to the inherent cooperative nature of dislocation bypass processes. In addition to the dislocation-defect interaction, the morphology of the dislocation segments pinned to the defects play an important role on the activation energies for bypass. A phenomenological model for activation energy stress dependence is shown to describe well the effect of a distribution of activation energies, and a probabilistic activation energy model incorporating the stress distribution in a material is presented.

  7. A comparison of the smeared-dislocation and super-dislocation description of a hydrided region in the context of modelling delayed hydride cracking initiation

    International Nuclear Information System (INIS)

    Smith, E.

    1994-01-01

    In quantifying the stress distribution within a hydrided region in the context of modelling delayed hydride cracking (DHC) initiation in zirconium alloys, this paper highlights the desirability of accounting for image effects, i.e. the interaction between the hydrided region and any free surface, for example a sharp crack, blunt notch or planar surface. The super-dislocation representation of a finite thickness hydrided region is ideal for accounting for image effects. It also adequately accounts for the finite thickness, t, of a hydrided region provided, as is the case in practice, we are concerned with the stress value within the hydride at distances ≥ 0.25 t from an end of the region. (Author)

  8. Dynamic plantar pressure distribution, strength capacity and postural control after Lisfranc fracture-dislocation

    DEFF Research Database (Denmark)

    Mehlhorn, Alexander T; Walther, Markus; Yilmaz, Tayfun

    2017-01-01

    of life. 17 consecutive patients suffering from a Lisfranc fracture dislocation were registered, underwent open reduction and internal fixation and were followed-up for 50.5±25.7months (Mean±SDM). Biomechanical analysis of muscle strength capacities, postural control and plantar pressure distribution......Substantial progress has been made in the operative treatment of Lisfranc fractures, however, the prognosis remains poor. We hypothesized that Lisfranc injuries change the postural control and muscle strength of the lower limb. Both are suggested to correlate with the clinical outcome and quality...... correlated well with clinical outcome. Altered postural control was evident by a significant reduction in unilateral stance time, from which we calculated a strong correlation between stance time and the isokinetic strength measurement. Plantar pressure measurements revealed a significant reduction in peak...

  9. Acceleration of the Particle Swarm Optimization for Peierls–Nabarro modeling of dislocations in conventional and high-entropy alloys

    International Nuclear Information System (INIS)

    Pei, Zongrui; Eisenbach, Markus

    2017-01-01

    Dislocations are among the most important defects in determining the mechanical properties of both conventional alloys and high-entropy alloys. The Peierls-Nabarro model supplies an efficient pathway to their geometries and mobility. The difficulty in solving the integro-differential Peierls-Nabarro equation is how to effectively avoid the local minima in the energy landscape of a dislocation core. Among the other methods to optimize the dislocation core structures, we choose the algorithm of Particle Swarm Optimization, an algorithm that simulates the social behaviors of organisms. By employing more particles (bigger swarm) and more iterative steps (allowing them to explore for longer time), the local minima can be effectively avoided. But this would require more computational cost. The advantage of this algorithm is that it is readily parallelized in modern high computing architecture. We demonstrate the performance of our parallelized algorithm scales linearly with the number of employed cores.

  10. Perilunate Dislocation

    Directory of Open Access Journals (Sweden)

    John Jiao

    2016-09-01

    Full Text Available History of present illness: A 25-year-old female presented to the emergency department with left wrist pain following a fall off a skateboard. The patient fell on her outstretched left wrist with the wrist dorsiflexed and reported immediate sharp pain to her left wrist that was worse with movement. She denied other trauma. Significant findings: In the left lateral wrist x-ray, the lunate (outlined in blue is dislocated from the rest of the wrist bones (yellow line but still articulates with the radius (red line. The capitate (yellow line does not sit within the distal articulation of the lunate and is displaced dorsally. Additionally, a line drawn through the radius and lunate (green line fails to intersect with the capitate. This is consistent with a perilunate dislocation. This is compared to a lunate dislocation, where the lunate itself is displaced and turned ventrally (spilled teacup and the proximal aspect does not articulate with the radius. Discussion: A perilunate dislocation is a significant closed wrist injury that is easily missed on standard anterior-posterior imaging. These dislocations are relatively rare, involving only 7% of all carpal injuries and are associated with high-energy trauma onto a hyperextended wrist, such as falls from a height, motor vehicle accidents, and sports injuries.1 An untreated perilunate dislocation is associated with high risk of chronic carpal instability and post-traumatic arthritis. If the mechanism of injury is sufficient to suspect perilunate dislocation, multiple radiographic views of the wrist should be ordered. Patients should receive prompt orthopedic consultation for open reduction and ligamentous repair. Even after successful identification and subsequent surgical repair, median nerve neuropathy and post-traumatic arthritis are frequent.2-3

  11. Strain fields and line energies of dislocations in uranium dioxide

    International Nuclear Information System (INIS)

    Parfitt, David C; Bishop, Clare L; Wenman, Mark R; Grimes, Robin W

    2010-01-01

    Computer simulations are used to investigate the stability of typical dislocations in uranium dioxide. We explain in detail the methods used to produce the dislocation configurations and calculate the line energy and Peierls barrier for pure edge and screw dislocations with the shortest Burgers vector 1/2 . The easiest slip system is found to be the {100}(110) system for stoichiometric UO 2 , in agreement with experimental observations. We also examine the different strain fields associated with these line defects and the close agreement between the strain field predicted by atomic scale models and the application of elastic theory. Molecular dynamics simulations are used to investigate the processes of slip that may occur for the three different edge dislocation geometries and nudged elastic band calculations are used to establish a value for the Peierls barrier, showing the possible utility of the method in investigating both thermodynamic average behaviour and dynamic processes such as creep and plastic deformation.

  12. Compressive failure model for fiber composites by kink band initiation from obliquely aligned, shear-dislocated fiber breaks

    Energy Technology Data Exchange (ETDEWEB)

    Bai, J.; Phoenix, S.L. [Cornell University, Ithaca, NY (United States). Dept. of Theoretical and Applied Mechanics

    2005-04-01

    Predicting compressive failure of a unidirectional fibrous composite is a longstanding and challenging problem that we study from a new perspective. Motivated by previous modelling of tensile failure as well as experimental observations on compressive failures in single carbon fibers, we develop a new micromechanical model for the compressive failure process in unidirectional, planar composites. As the compressive load is increased, random fiber failures are assumed to occur due to statistically distributed flaws, analogous to what occurs in tension. These breaks are often shear-mode failures with slanted surfaces that induce shear dislocations, especially when they occur in small groups aligned obliquely. Our model includes interactions of dislocated and neighboring intact fibers through a system of fourth-order, differential equations governing transverse deformation, and also allows for local matrix plastic yielding and debonding from the fiber near and within the dislocation arrays. Using the Discrete Fourier Transform method, we find a 'building-block' analytical solution form, which naturally embodies local length scales of fiber microbuckling and instability. Based on the influence function, superposition approach, a computationally efficient scheme is developed to model the evolution of fiber and matrix stresses. Under increasing compressive strain the simulations show that matrix yielding and debonding crucially lead to large increases in bending strains in fibers next to small groups of obliquely aligned, dislocated breaks. From the paired locations of maximum fiber bending in flanking fibers, the triggering of an unstable kink band becomes realistic. The geometric features of the kink band, such as the fragment lengths and orientation angles, will depend on the fiber and matrix mechanical and geometric properties. In carbon fiber-polymer matrix systems our model predicts a much lower compressive failure stress than obtained from Rosen

  13. On verification of a theory in dislocation plasticity

    International Nuclear Information System (INIS)

    Ng, D.H.Y.; Lee, L.H.N.

    1981-01-01

    In the past twenty years, many attempts to unify the theories of macroplasticity and microplasticity in polycrystalline materials have been made. Several major approaches have been suggested namely: the geometrical approach, the analytical approach, the phenomenological approach and the internal variables approach. To verify the plasticity theory based on any one of the above models, detail experimental data including microstructural quantities such as dislocation density, dislocation speed, etc. are required. Unfortunately, there were some difficulties in evaluating dislocation speed and dealing with the term 'mobile fraction' of dislocation density. Therefore, an experimental verification of such plasticity theory has not been made. A dislocation velocity equation based on a thermally activated model is used. A set of plastic strain rate equations for polycrystalline materials formulated by analyzing dislocation dynamics in a statistical approach are presented. In order to evaluate the activation free energy, Gibbs' modified tetragonal distortion model is used together with some measurements obtained from electron micrographs. Experimental results on the dynamic yielding and fracture of 6061-T6 aluminum alloy tubings under biaxial loadings obtained by Ng, Delich and Lee are used. In dealing with 'mobile fraction', Gilman's suggestion is adopted. (orig./HP)

  14. Modeling dynamic swarms

    KAUST Repository

    Ghanem, Bernard; Ahuja, Narendra

    2013-01-01

    This paper proposes the problem of modeling video sequences of dynamic swarms (DSs). We define a DS as a large layout of stochastically repetitive spatial configurations of dynamic objects (swarm elements) whose motions exhibit local spatiotemporal

  15. The movement of screw dislocations in tungsten

    International Nuclear Information System (INIS)

    Tian Xiaogeng; Woo Chungho

    2004-01-01

    Using Acland potential for tungsten, the movement of 1/2a screw dislocation under shear stress was investigated by molecular dynamics simulation. Equilibrated core structure was obtained by relaxation of screw dislocation with proper boundary conditions. We found that the equilibrium dislocation core has three-fold symmetry and spread out in three direction on {1 1 0} planes. The screw dislocation core could not keep the original shape when the shear stress applied. The dislocation could not move until the shear stress became large enough. The dislocation moved in zigzag when the shear stress neared the Peierls stress. When the shear stress became larger, the dislocation moved in zigzag at the beginning and than moved almost in straight line in [2-bar11] direction. The large shear stress applied, the long distance moved before the dislocation stilled in z-direction and the large velocity in y-direction

  16. A continuum theory of edge dislocations

    Science.gov (United States)

    Berdichevsky, V. L.

    2017-09-01

    dislocation phase space is strikingly simple. Dislocation phase space is split in a family of subspaces corresponding to constant values of dislocation polarizations; in each equipolarization subspace there are many local minima of energy; for zero external stresses the system is stuck in a local minimum of energy; for non-zero slowly changing external stress, dislocation polarization evolves, while the system moves over local energy minima of equipolarization subspaces. Such a simple picture of dislocation dynamics is due to the presence of two time scales, slow evolution of dislocation polarization and fast motion of the system over local minima of energy. The existence of two time scales is justified for a neutral system of edge dislocations.

  17. Dynamic Latent Classification Model

    DEFF Research Database (Denmark)

    Zhong, Shengtong; Martínez, Ana M.; Nielsen, Thomas Dyhre

    as possible. Motivated by this problem setting, we propose a generative model for dynamic classification in continuous domains. At each time point the model can be seen as combining a naive Bayes model with a mixture of factor analyzers (FA). The latent variables of the FA are used to capture the dynamics...

  18. Equivalent Dynamic Models.

    Science.gov (United States)

    Molenaar, Peter C M

    2017-01-01

    Equivalences of two classes of dynamic models for weakly stationary multivariate time series are discussed: dynamic factor models and autoregressive models. It is shown that exploratory dynamic factor models can be rotated, yielding an infinite set of equivalent solutions for any observed series. It also is shown that dynamic factor models with lagged factor loadings are not equivalent to the currently popular state-space models, and that restriction of attention to the latter type of models may yield invalid results. The known equivalent vector autoregressive model types, standard and structural, are given a new interpretation in which they are conceived of as the extremes of an innovating type of hybrid vector autoregressive models. It is shown that consideration of hybrid models solves many problems, in particular with Granger causality testing.

  19. Smectic meniscus and dislocations

    International Nuclear Information System (INIS)

    Geminard, J.C.; Oswald, P.; Holyst, R.

    1998-01-01

    In ordinary liquids the size of a meniscus and its shape is set by a competition between surface tension and gravity. The thermodynamical process of its creation can be reversible. On the contrary, in smectic liquid crystals the formation of the meniscus is always an irreversible thermodynamic process since it involves the creation of dislocations (therefore it involves friction). Also the meniscus is usually small in experiments with smectics in comparison to the capillary length and therefore the gravity does not play any role in determining the meniscus shape. Here we discuss the relation between dislocations and meniscus in smectics. The theoretical predictions are supported by a recent experiment performed on freely suspended films of smectic liquid crystals. In this experiment the measurement of the meniscus radius of curvature gives the pressure difference, Δp, according to the Laplace law. From the measurements of the growth dynamics of a dislocation loop (governed by Δp) we find the line tension (∼8 x 10 -8 dyn) and the mobility of an elementary edge dislocation (∼4 x 10 - 7 cm 2 s/g). (author)

  20. Free energy change of a dislocation due to a Cottrell atmosphere

    Science.gov (United States)

    Sills, R. B.; Cai, W.

    2018-06-01

    The free energy reduction of a dislocation due to a Cottrell atmosphere of solutes is computed using a continuum model. We show that the free energy change is composed of near-core and far-field components. The far-field component can be computed analytically using the linearized theory of solid solutions. Near the core the linearized theory is inaccurate, and the near-core component must be computed numerically. The influence of interactions between solutes in neighbouring lattice sites is also examined using the continuum model. We show that this model is able to reproduce atomistic calculations of the nickel-hydrogen system, predicting hydride formation on dislocations. The formation of these hydrides leads to dramatic reductions in the free energy. Finally, the influence of the free energy change on a dislocation's line tension is examined by computing the equilibrium shape of a dislocation shear loop and the activation stress for a Frank-Read source using discrete dislocation dynamics.

  1. Formation of dislocation dipoles in irradiated graphite

    International Nuclear Information System (INIS)

    Niwase, Keisuke

    2005-01-01

    Recently, we have proposed a dislocation dipole accumulation model to explain the irradiation-induced amorphization of graphite. However, the structure of dislocation dipole in the hexagonal networks is still an open question at the atomic-level. In this paper, we propose a possible formation process of the dislocation dipole

  2. Hybrid dislocated control and general hybrid projective dislocated synchronization for the modified Lue chaotic system

    International Nuclear Information System (INIS)

    Xu Yuhua; Zhou Wuneng; Fang Jianan

    2009-01-01

    This paper introduces a modified Lue chaotic system, and some basic dynamical properties are studied. Based on these properties, we present hybrid dislocated control method for stabilizing chaos to unstable equilibrium and limit cycle. In addition, based on the Lyapunov stability theorem, general hybrid projective dislocated synchronization (GHPDS) is proposed, which includes complete dislocated synchronization, dislocated anti-synchronization and projective dislocated synchronization as its special item. The drive and response systems discussed in this paper can be strictly different dynamical systems (including different dimensional systems). As examples, the modified Lue chaotic system, Chen chaotic system and hyperchaotic Chen system are discussed. Numerical simulations are given to show the effectiveness of these methods.

  3. Hybrid dislocated control and general hybrid projective dislocated synchronization for the modified Lue chaotic system

    Energy Technology Data Exchange (ETDEWEB)

    Xu Yuhua [College of Information Science and Technology, Donghua University, Shanghai 201620 (China) and Department of Maths, Yunyang Teacher' s College, Hubei 442000 (China)], E-mail: yuhuaxu2004@163.com; Zhou Wuneng [College of Information Science and Technology, Donghua University, Shanghai 201620 (China)], E-mail: wnzhou@163.com; Fang Jianan [College of Information Science and Technology, Donghua University, Shanghai 201620 (China)

    2009-11-15

    This paper introduces a modified Lue chaotic system, and some basic dynamical properties are studied. Based on these properties, we present hybrid dislocated control method for stabilizing chaos to unstable equilibrium and limit cycle. In addition, based on the Lyapunov stability theorem, general hybrid projective dislocated synchronization (GHPDS) is proposed, which includes complete dislocated synchronization, dislocated anti-synchronization and projective dislocated synchronization as its special item. The drive and response systems discussed in this paper can be strictly different dynamical systems (including different dimensional systems). As examples, the modified Lue chaotic system, Chen chaotic system and hyperchaotic Chen system are discussed. Numerical simulations are given to show the effectiveness of these methods.

  4. Influence of mobile dislocations on phase separation in binary alloys

    International Nuclear Information System (INIS)

    Haataja, Mikko; Leonard, Francois

    2004-01-01

    We introduce a continuum model to describe the phase separation of a binary alloy in the presence of mobile dislocations. The kinetics of the local composition and dislocation density are coupled through their elastic fields. We show both analytically and numerically that mobile dislocations modify the standard spinodal decomposition process, and lead to several regimes of growth. Depending on the dislocation mobility and observation time, the phase separation may be accelerated, decelerated, or unaffected by mobile dislocations. For any finite dislocation mobility, we show that the domain growth rate asymptotically becomes independent of the dislocation mobility, and is faster than the dislocation-free growth rate

  5. Models for Dynamic Applications

    DEFF Research Database (Denmark)

    Sales-Cruz, Mauricio; Morales Rodriguez, Ricardo; Heitzig, Martina

    2011-01-01

    This chapter covers aspects of the dynamic modelling and simulation of several complex operations that include a controlled blending tank, a direct methanol fuel cell that incorporates a multiscale model, a fluidised bed reactor, a standard chemical reactor and finally a polymerisation reactor...... be applied to formulate, analyse and solve these dynamic problems and how in the case of the fuel cell problem the model consists of coupledmeso and micro scale models. It is shown how data flows are handled between the models and how the solution is obtained within the modelling environment....

  6. Dislocations via incompatibilities in phase-field models of microstructure evolution

    Czech Academy of Sciences Publication Activity Database

    Gröger, Roman; Marchand, B.; Lookman, T.

    2016-01-01

    Roč. 94, č. 5 (2016), 054105-1-054105-13 ISSN 2469-9950 R&D Projects: GA ČR(CZ) GA16-13797S; GA MŠk(CZ) LQ1601 Grant - others:Marie Curie Actions(CZ) 247705 MesoPhysDel Institutional support: RVO:68081723 Keywords : dislocation * incompatibility * phase field * Nye tensor * phase transition Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.836, year: 2016

  7. A model for crack-induced nucleation of dislocations, complex stacking faults, and twins

    Czech Academy of Sciences Publication Activity Database

    Beltz, G. E.; Chang, M.; Machová, Anna

    2005-01-01

    Roč. 482, - (2005), s. 17-25 ISSN 0255-5476. [Materials Structure & Micromechanics of Fracture /4./. Brno, 23.06.2004-25.06.2004] R&D Projects: GA MŠk ME 504; GA AV ČR IAA2076201 Institutional research plan: CEZ:AV0Z20760514 Keywords : crack * dislocations * twins Subject RIV: JG - Metallurgy Impact factor: 0.399, year: 2005

  8. A dislocation-based crystal viscoplasticity model with application to micro-engineered plasma-facing materials

    Energy Technology Data Exchange (ETDEWEB)

    Rivera, David; Huang, Yue; Po, Giacomo; Ghoniem, Nasr M., E-mail: ghoniem@ucla.edu

    2017-03-15

    Materials developed with special surface architecture are shown here to be more resilient to the transient thermomechanical environments imposed by intermittent exposures to high heat flux thermal loading typical of long-pulse plasma transients. In an accompanying article, we present experimental results that show the relaxation of residual thermal stresses in micro-engineered W surfaces. A dislocation-based model is extended here within the framework of large deformation crystal plasticity. The model is applied to the deformation of single crystals, polycrystals, and micro-engineered surfaces composed of a uniform density of micro-pillars. The model is utilized to design tapered surface micro-pillar architecture, composed of a Re core and W coatings. Residual stresses generated by cyclic thermomechanical loading of these architectures show that the surface can be in a compressive stress state, following a short shakedown plasma exposure, thus mitigating surface fracture. - • Materials developed with special surface architecture are shown to be more resilient to the transient thermomechanical plasma transients. • A dislocation-based model is extended within the framework of large deformation crystal plasticity. • The model is applied to the deformation of single crystals, polycrystals, and micro-engineered surfaces. • The model is utilized to design tapered surface micro-pillar architecture, composed of a Re core and W coatings. • Residual stresses generated by cyclic thermomechanical loading show that the surface can be in a compressive stress state, thus mitigating surface fracture.

  9. A dislocation-based crystal viscoplasticity model with application to micro-engineered plasma-facing materials

    International Nuclear Information System (INIS)

    Rivera, David; Huang, Yue; Po, Giacomo; Ghoniem, Nasr M.

    2017-01-01

    Materials developed with special surface architecture are shown here to be more resilient to the transient thermomechanical environments imposed by intermittent exposures to high heat flux thermal loading typical of long-pulse plasma transients. In an accompanying article, we present experimental results that show the relaxation of residual thermal stresses in micro-engineered W surfaces. A dislocation-based model is extended here within the framework of large deformation crystal plasticity. The model is applied to the deformation of single crystals, polycrystals, and micro-engineered surfaces composed of a uniform density of micro-pillars. The model is utilized to design tapered surface micro-pillar architecture, composed of a Re core and W coatings. Residual stresses generated by cyclic thermomechanical loading of these architectures show that the surface can be in a compressive stress state, following a short shakedown plasma exposure, thus mitigating surface fracture. - • Materials developed with special surface architecture are shown to be more resilient to the transient thermomechanical plasma transients. • A dislocation-based model is extended within the framework of large deformation crystal plasticity. • The model is applied to the deformation of single crystals, polycrystals, and micro-engineered surfaces. • The model is utilized to design tapered surface micro-pillar architecture, composed of a Re core and W coatings. • Residual stresses generated by cyclic thermomechanical loading show that the surface can be in a compressive stress state, thus mitigating surface fracture.

  10. A rate-state model for aftershocks triggered by dislocation on a rectangular fault: a review and new insights

    Directory of Open Access Journals (Sweden)

    F. Catalli

    2006-06-01

    Full Text Available We compute the static displacement, stress, strain and the Coulomb failure stress produced in an elastic medium by a finite size rectangular fault after its dislocation with uniform stress drop but a non uniform dislocation on the source. The time-dependent rate of triggered earthquakes is estimated by a rate-state model applied to a uniformly distributed population of faults whose equilibrium is perturbated by a stress change caused only by the first dislocation. The rate of triggered events in our simulations is exponentially proportional to the shear stress change, but the time at which the maximum rate begins to decrease is variable from fractions of hour for positive stress changes of the order of some MPa, up to more than a year for smaller stress changes. As a consequence, the final number of triggered events is proportional to the shear stress change. The model predicts that the total number of events triggered on a plane containing the fault is proportional to the 2/3 power of the seismic moment. Indeed, the total number of aftershocks produced on the fault plane scales in magnitude, M, as 10M. Including the negative contribution of the stress drop inside the source, we observe that the number of events inhibited on the fault is, at long term, nearly identical to the number of those induced outside, representing a sort of conservative natural rule. Considering its behavior in time, our model does not completely match the popular Omori law; in fact it has been shown that the seismicity induced closely to the fault edges is intense but of short duration, while that expected at large distances (up to some tens times the fault dimensions exhibits a much slower decay.

  11. 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...

  12. Orientation dependence of grain-boundary energy in metals in the view of a pseudoheterophase dislocation core model

    International Nuclear Information System (INIS)

    Missol, W.

    1976-01-01

    A new dislocation model for symmetric tilt grain boundaries was developed as a basis for deriving the quantitative dependence of grain-boundary energy upon misorientation angle in the form of an expression similar to that given by Read and Shockley [Phys. Rev. 78: 275(1950)]. The range of applicability of this equation was extended to over 20 degrees. A comparison of theory and experiment was made for Bi, Ag, Cu, and Fe--Si 3 percent in the teen-degree range of misorientation angles and for Au, α-Fe, Mo, and W in the high-angle range

  13. Energetics of dislocation nucleation under a nanoindenter

    International Nuclear Information System (INIS)

    Zhang Chuanli; Xu Guanshui

    2005-01-01

    We present an analysis of dislocation nucleation under an idealized nanoindenter based on the variational boundary integral formulation of the Peierls-Nabarro dislocation model. By solving the embryonic dislocation profiles, corresponding to the relative displacements between the two adjacent atomic layers along the slip plane, we have determined the critical conditions for athermal dislocation nucleation as well as the activation energies required to thermally activate embryonic dislocations from their stable to unstable saddle point configurations. The effect of the size of the indenter on the energetics of dislocation nucleation is quantitatively characterized. The result is compared with a simplified analysis based on the application of the Rice model for dislocation nucleation at a crack tip

  14. Energetics of dislocation nucleation under a nanoindenter

    Energy Technology Data Exchange (ETDEWEB)

    Zhang Chuanli [College of Mechanical Engineering, Yangtze University, Jingzhou, Hubei 434023 (China); Department of Mechanical Engineering, University of California, Riverside, CA 92521 (United States); Xu Guanshui [Department of Mechanical Engineering, University of California, Riverside, CA 92521 (United States)]. E-mail: guanshui.xu@ucr.edu

    2005-07-25

    We present an analysis of dislocation nucleation under an idealized nanoindenter based on the variational boundary integral formulation of the Peierls-Nabarro dislocation model. By solving the embryonic dislocation profiles, corresponding to the relative displacements between the two adjacent atomic layers along the slip plane, we have determined the critical conditions for athermal dislocation nucleation as well as the activation energies required to thermally activate embryonic dislocations from their stable to unstable saddle point configurations. The effect of the size of the indenter on the energetics of dislocation nucleation is quantitatively characterized. The result is compared with a simplified analysis based on the application of the Rice model for dislocation nucleation at a crack tip.

  15. Characterizing short-range vs. long-range spatial correlations in dislocation distributions

    Energy Technology Data Exchange (ETDEWEB)

    Chevy, Juliette, E-mail: juliette.chevy@gmail.com [Laboratoire de Glaciologie et Geophysique de l' Environnement-CNRS, 54 rue Moliere, 38402 St. Martin d' Heres (France)] [Laboratoire Science et Ingenierie des Materiaux et Procedes, Grenoble INP-CNRS-UJF, BP 75, 38402 St. Martin d' Heres Cedex (France); Fressengeas, Claude; Lebyodkin, Mikhail; Taupin, Vincent [Laboratoire de Physique et Mecanique des Materiaux, Universite Paul Verlaine-Metz/CNRS, Ile du Saulcy, 57045 Metz Cedex (France); Bastie, Pierre [Laboratoire de Spectrometrie Physique, BP 87, 38402 St. Martin d' Heres Cedex (France)] [Institut Laue Langevin, BP 156, 38042 Grenoble Cedex 9 (France); Duval, Paul [Laboratoire de Glaciologie et Geophysique de l' Environnement-CNRS, 54 rue Moliere, 38402 St. Martin d' Heres (France)

    2010-03-15

    Hard X-ray diffraction experiments have provided evidence of a strongly heterogeneous distribution of dislocation densities along the axis of cylindrical ice single crystals oriented for basal slip in torsion creep. The dislocation arrangements showed a complex scale-invariant character, which was analyzed by means of statistical and multifractal techniques. A trend to decreasing autocorrelation of the dislocation distribution was observed as deformation proceeds. At low strain levels, long-range spatial correlations control the distribution, but short-range correlations in relation with cross-slip progressively prevail when strain increases. This trend was reproduced by a model based on field dislocation dynamics, a theory accounting for both long-range elastic interactions and short-range interactions through transport of dislocation densities.

  16. Characterizing short-range vs. long-range spatial correlations in dislocation distributions

    International Nuclear Information System (INIS)

    Chevy, Juliette; Fressengeas, Claude; Lebyodkin, Mikhail; Taupin, Vincent; Bastie, Pierre; Duval, Paul

    2010-01-01

    Hard X-ray diffraction experiments have provided evidence of a strongly heterogeneous distribution of dislocation densities along the axis of cylindrical ice single crystals oriented for basal slip in torsion creep. The dislocation arrangements showed a complex scale-invariant character, which was analyzed by means of statistical and multifractal techniques. A trend to decreasing autocorrelation of the dislocation distribution was observed as deformation proceeds. At low strain levels, long-range spatial correlations control the distribution, but short-range correlations in relation with cross-slip progressively prevail when strain increases. This trend was reproduced by a model based on field dislocation dynamics, a theory accounting for both long-range elastic interactions and short-range interactions through transport of dislocation densities.

  17. Nucleation of dislocations from [0 0 1] bicrystal interfaces in aluminum

    International Nuclear Information System (INIS)

    Spearot, Douglas E.; Jacob, Karl I.; McDowell, David L.

    2005-01-01

    It is well established from molecular dynamics simulations that grain boundaries in nanocrystalline samples serve as sources of dislocations. In this work, we use molecular dynamics simulations to study the mechanisms associated with dislocation nucleation from bicrystal [0 0 1] interfaces in aluminum. Three interface misorientations are studied, including the Σ5 (3 1 0) boundary, which has a high density of coincident atomic sites. Molecular dynamics simulations show that full dislocation loops are nucleated from each interface during uniaxial tension. After the second partial dislocation is emitted, a ledge remains within the interface at the intersection of the slip plane and the bicrystal boundary. A disclination dipole model is proposed for the structure of the distorted interface accounting for local lattice rotations and the ledge at the nucleation site

  18. Dynamic accelerator modeling

    International Nuclear Information System (INIS)

    Nishimura, Hiroshi.

    1993-05-01

    Object-Oriented Programming has been used extensively to model the LBL Advanced Light Source 1.5 GeV electron storage ring. This paper is on the present status of the class library construction with emphasis on a dynamic modeling

  19. Dynamic panel data models

    NARCIS (Netherlands)

    Bun, M.J.G.; Sarafidis, V.

    2013-01-01

    This Chapter reviews the recent literature on dynamic panel data models with a short time span and a large cross-section. Throughout the discussion we considerlinear models with additional endogenous covariates. First we give a broad overview of available inference methods placing emphasis on GMM.

  20. Modeling dynamic swarms

    KAUST Repository

    Ghanem, Bernard

    2013-01-01

    This paper proposes the problem of modeling video sequences of dynamic swarms (DSs). We define a DS as a large layout of stochastically repetitive spatial configurations of dynamic objects (swarm elements) whose motions exhibit local spatiotemporal interdependency and stationarity, i.e., the motions are similar in any small spatiotemporal neighborhood. Examples of DS abound in nature, e.g., herds of animals and flocks of birds. To capture the local spatiotemporal properties of the DS, we present a probabilistic model that learns both the spatial layout of swarm elements (based on low-level image segmentation) and their joint dynamics that are modeled as linear transformations. To this end, a spatiotemporal neighborhood is associated with each swarm element, in which local stationarity is enforced both spatially and temporally. We assume that the prior on the swarm dynamics is distributed according to an MRF in both space and time. Embedding this model in a MAP framework, we iterate between learning the spatial layout of the swarm and its dynamics. We learn the swarm transformations using ICM, which iterates between estimating these transformations and updating their distribution in the spatiotemporal neighborhoods. We demonstrate the validity of our method by conducting experiments on real and synthetic video sequences. Real sequences of birds, geese, robot swarms, and pedestrians evaluate the applicability of our model to real world data. © 2012 Elsevier Inc. All rights reserved.

  1. Energy flow around a moving dislocation

    International Nuclear Information System (INIS)

    Koizumi, H; Kirchner, H O K

    2009-01-01

    A dislocation moving in a lattice emits lattice waves. We study the energy flow accompanying the lattice wave emission in a molecular dynamics situation. About two thirds of the static free energy are emitted as lattice waves from the moving dislocation. Work done by the region around the dislocation helps to initiate the motion from the unstable equilibrium state under a small applied stress, or to compensate the energy emitted as lattice waves when the dislocation makes a long distance motion under a larger stress.

  2. Rate controlling mechanisms during hot deformation of Mg–3Gd–1Zn magnesium alloy: Dislocation glide and climb, dynamic recrystallization, and mechanical twinning

    International Nuclear Information System (INIS)

    Mirzadeh, H.; Roostaei, M.; Parsa, M.H.; Mahmudi, R.

    2015-01-01

    Highlights: • Hot deformation behavior and dynamic recrystallization of GZ31 magnesium alloy. • Deducing the operative deformation mechanisms by constitutive analysis. • Viscous glide as the rate controlling step during hot working of GZ31 alloy. • Characterization of the effect of mechanical twinning on constitutive relations. - Abstract: The flow behavior of the Mg–3Gd–1Zn (GZ31) magnesium alloy during hot working was critically analyzed and dislocation glide in the form of a viscous drag process (viscous glide) was identified as the rate controlling mechanism due to interaction of rare earth Gd atoms with the moving dislocations. Mechanical twinning was shown to significantly affect the level of flow stress at high Zener–Hollomon parameters, i.e. low forming temperatures and high strain rates. Moreover, dynamic recrystallization (DRX) was found to be another responsible phenomenon for deviation of constitutive equations from the theoretical ones, namely the deformation activation energy based on diffusivity and the pre-defined Garofalo’s type hyperbolic sine power, during high-temperature thermomechanical processing of this creep resistant light alloy

  3. Corruption dynamics model

    Science.gov (United States)

    Malafeyev, O. A.; Nemnyugin, S. A.; Rylow, D.; Kolpak, E. P.; Awasthi, Achal

    2017-07-01

    The corruption dynamics is analyzed by means of the lattice model which is similar to the three-dimensional Ising model. Agents placed at nodes of the corrupt network periodically choose to perfom or not to perform the act of corruption at gain or loss while making decisions based on the process history. The gain value and its dynamics are defined by means of the Markov stochastic process modelling with parameters established in accordance with the influence of external and individual factors on the agent's gain. The model is formulated algorithmically and is studied by means of the computer simulation. Numerical results are obtained which demonstrate asymptotic behaviour of the corruption network under various conditions.

  4. DYNAMIC LOAD DAMPER MODELING

    Directory of Open Access Journals (Sweden)

    Loktev Aleksey Alekseevich

    2013-01-01

    Full Text Available The authors present their findings associated with their modeling of a dynamic load damper. According to the authors, the damper is to be installed onto a structure or its element that may be exposed to impact, vibration or any other dynamic loading. The damper is composed of paralleled or consecutively connected viscous and elastic elements. The authors study the influence of viscosity and elasticity parameters of the damper produced onto the regular displacement of points of the structure to be protected and onto the regular acceleration transmitted immediately from the damper to the elements positioned below it.

  5. Mesoscale modeling and simulation of microstructure evolution during dynamic recrystallization of a Ni-based superalloy

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Fei [University of Nottingham, Department of Mechanical, Materials and Manufacturing Engineering, Nottingham (United Kingdom); Shanghai Jiao Tong University, Institute of Forming Technology and Equipment, Shanghai (China); Cui, Zhenshan [Shanghai Jiao Tong University, Institute of Forming Technology and Equipment, Shanghai (China); Ou, Hengan [University of Nottingham, Department of Mechanical, Materials and Manufacturing Engineering, Nottingham (United Kingdom); Long, Hui [University of Sheffield, Department of Mechanical Engineering, Sheffield (United Kingdom)

    2016-10-15

    Microstructural evolution and plastic flow characteristics of a Ni-based superalloy were investigated using a simulative model that couples the basic metallurgical principle of dynamic recrystallization (DRX) with the two-dimensional (2D) cellular automaton (CA). Variation of dislocation density with local strain of deformation is considered for accurate determination of the microstructural evolution during DRX. The grain topography, the grain size and the recrystallized fraction can be well predicted by using the developed CA model, which enables to the establishment of the relationship between the flow stress, dislocation density, recrystallized fraction volume, recrystallized grain size and the thermomechanical parameters. (orig.)

  6. Strengthening mechanisms and dislocation processes in <111> textured nanotwinned copper

    Energy Technology Data Exchange (ETDEWEB)

    Zhao, Xing [School of Mechanical, Materials and Mechatronic Engineering, University of Wollongong, Wollongong, NSW 2522 (Australia); State Key Laboratory of High Performance Complex Manufacturing, Central South University, Changsha 410083 (China); Lu, Cheng, E-mail: chenglu@uow.edu.au [School of Mechanical, Materials and Mechatronic Engineering, University of Wollongong, Wollongong, NSW 2522 (Australia); Tieu, Anh Kiet; Pei, Linqing; Zhang, Liang; Cheng, Kuiyu [School of Mechanical, Materials and Mechatronic Engineering, University of Wollongong, Wollongong, NSW 2522 (Australia); Huang, Minghui [State Key Laboratory of High Performance Complex Manufacturing, Central South University, Changsha 410083 (China)

    2016-10-31

    We use molecular dynamics simulations to elucidate the deformation mechanisms of <111> textured nanotwinned materials under tensile loading parallel to the twin boundary (TB). Our simulations reveal that the tensile strength of nanotwinned Cu increases monotonically as the twin spacing decreases. The strengthening effect mainly results from TB restricting the transmission of dislocations across the TB. Throughout the simulations the transmissions of dislocations across the TBs dominate the plastic deformation. Both direct and indirect transmissions are identified at atomic level. Direct transmission involves either successive transmission of the leading and trailing partials as in the Fleischer cross-slip model or absorption and desorption of the extended dislocation as in the Friedel-Escaig cross-slip mechanism. In contrast, indirect transmission involves the formation of special superjogs. The persistent slip transfer leaves zigzag slip traces on the cross-sectional view and the inhomogeneous deformation leads to the formation of intersecting slip bands on the plane view.

  7. "Conjugate channeling" effect in dislocation core diffusion: carbon transport in dislocated BCC iron.

    Science.gov (United States)

    Ishii, Akio; Li, Ju; Ogata, Shigenobu

    2013-01-01

    Dislocation pipe diffusion seems to be a well-established phenomenon. Here we demonstrate an unexpected effect, that the migration of interstitials such as carbon in iron may be accelerated not in the dislocation line direction ξ, but in a conjugate diffusion direction. This accelerated random walk arises from a simple crystallographic channeling effect. c is a function of the Burgers vector b, but not ξ, thus a dislocation loop possesses the same everywhere. Using molecular dynamics and accelerated dynamics simulations, we further show that such dislocation-core-coupled carbon diffusion in iron has temperature-dependent activation enthalpy like a fragile glass. The 71° mixed dislocation is the only case in which we see straightforward pipe diffusion that does not depend on dislocation mobility.

  8. Theory of electron-phonon-dislon interacting system—toward a quantized theory of dislocations

    Science.gov (United States)

    Li, Mingda; Tsurimaki, Yoichiro; Meng, Qingping; Andrejevic, Nina; Zhu, Yimei; Mahan, Gerald D.; Chen, Gang

    2018-02-01

    We provide a comprehensive theoretical framework to study how crystal dislocations influence the functional properties of materials, based on the idea of a quantized dislocation, namely a ‘dislon’. In contrast to previous work on dislons which focused on exotic phenomenology, here we focus on their theoretical structure and computational power. We first provide a pedagogical introduction that explains the necessity and benefits of taking the dislon approach and why the dislon Hamiltonian takes its current form. Then, we study the electron-dislocation and phonon-dislocation scattering problems using the dislon formalism. Both the effective electron and phonon theories are derived, from which the role of dislocations on electronic and phononic transport properties is computed. Compared with traditional dislocation scattering studies, which are intrinsically single-particle, low-order perturbation and classical quenched defect in nature, the dislon theory not only allows easy incorporation of quantum many-body effects such as electron correlation, electron-phonon interaction, and higher-order scattering events, but also allows proper consideration of the dislocation’s long-range strain field and dynamic aspects on equal footing for arbitrary types of straight-line dislocations. This means that instead of developing individual models for specific dislocation scattering problems, the dislon theory allows for the calculation of electronic structure and electrical transport, thermal transport, optical and superconducting properties, etc, under one unified theory. Furthermore, the dislon theory has another advantage over empirical models in that it requires no fitting parameters. The dislon theory could serve as a major computational tool to understand the role of dislocations on multiple materials’ functional properties at an unprecedented level of clarity, and may have wide applications in dislocated energy materials.

  9. Quantitative analysis of CTEM images of small dislocation loops in Al and stacking fault tetrahedra in Cu generated by molecular dynamics simulation

    International Nuclear Information System (INIS)

    Schaeublin, R.; Almazouzi, A.; Dai, Y.; Osetsky, Yu.N.; Victoria, M.

    2000-01-01

    The visibility of conventional transmission electron microscopy (CTEM) images of small crystalline defects generated by molecular dynamics (MD) simulation is investigated. Faulted interstitial dislocation loops in Al smaller than 2 nm in diameter and stacking fault tetrahedra (SFT) in Cu smaller than 4 nm in side are assessed. A recent approach allowing to simulate the CTEM images of computer generated samples described by their atomic positions is applied to obtain bright field and weak beam images. For the dislocation loop-like cluster it appears that the simulated image is comparable to experimental images. The contrast of the g(3.1g) near weak beam image decreases with decreasing size of the cluster but is still 20% of the background intensity for a 2 interstitial cluster. This indicates a visibility at the limit of the experimental background noise. In addition, the cluster image size, which is here always larger than the real size, saturates at about 1 nm when the cluster real size decreases below 1 nm, which corresponds to a cluster of 8 interstitials. For the SFT in Cu the g(6.1g) weak beam image is comparable to experimental images. It appears that the image size is larger than the real size by 20%. A large loss of the contrast features that allows to identify an SFT is observed on the image of the smallest SFT (21 vacancies)

  10. An MD simulation of interactions between self-interstitial atoms and edge dislocation in bcc transition metals

    Energy Technology Data Exchange (ETDEWEB)

    Kamiyama, H. (Aomori Public College, 153-4 Yamazaki, Goushi-zawa, Aomori 030-01 (Japan)); Rafii-Tabar, H. (Institute for Materials Research, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai 980 (Japan)); Kawazoe, Y. (Institute for Materials Research, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai 980 (Japan)); Matsui, H. (Institute for Materials Research, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai 980 (Japan))

    1994-09-01

    According to our model on the mechanism of dislocation bias reduction based on the interaction of dumbbell self-interstitial atoms (SIAs) with dislocation, the bias is significantly different depending on the dumbbell configuration in the dislocation strain field. A large-scale molecular dynamics (MD) simulation is performed to reveal the stability and the mechanism of diffusion of dumbbell SIAs near the edge dislocation core in bcc iron. Most SIAs take the crowdion configuration parallel to the Burgers vector in the expansion side of the dislocation. Such crowdions are stable in the temperature range of this simulation, i.e. between 373 and 473 K, making one-dimensional random to-and-fro motion parallel to the dislocation Burgers vector staying at several atomic layers below'' the dislocation core. This means that the SIA does not approach the dislocation core. These results suggest that the stable configuration of SIAs is seriously affected by the dislocation resulting in a reduction of bias factor. ((orig.))

  11. An MD simulation of interactions between self-interstitial atoms and edge dislocation in bcc transition metals

    International Nuclear Information System (INIS)

    Kamiyama, H.; Rafii-Tabar, H.; Kawazoe, Y.; Matsui, H.

    1994-01-01

    According to our model on the mechanism of dislocation bias reduction based on the interaction of dumbbell self-interstitial atoms (SIAs) with dislocation, the bias is significantly different depending on the dumbbell configuration in the dislocation strain field. A large-scale molecular dynamics (MD) simulation is performed to reveal the stability and the mechanism of diffusion of dumbbell SIAs near the edge dislocation core in bcc iron. Most SIAs take the crowdion configuration parallel to the Burgers vector in the expansion side of the dislocation. Such crowdions are stable in the temperature range of this simulation, i.e. between 373 and 473 K, making one-dimensional random to-and-fro motion parallel to the dislocation Burgers vector staying at several atomic layers ''below'' the dislocation core. This means that the SIA does not approach the dislocation core. These results suggest that the stable configuration of SIAs is seriously affected by the dislocation resulting in a reduction of bias factor. ((orig.))

  12. Dynamic wake meandering modeling

    Energy Technology Data Exchange (ETDEWEB)

    Larsen, Gunner C.; Aagaard Madsen, H.; Bingoel, F. (and others)

    2007-06-15

    We present a consistent, physically based theory for the wake meandering phenomenon, which we consider of crucial importance for the overall description of wind turbine loadings in wind farms. In its present version the model is confined to single wake situations. The model philosophy does, however, have the potential to include also mutual wake interaction phenomenons. The basic conjecture behind the dynamic wake meandering model is that wake transportation in the atmospheric boundary layer is driven by the large scale lateral- and vertical turbulence components. Based on this conjecture a stochastic model of the downstream wake meandering is formulated. In addition to the kinematic formulation of the dynamics of the 'meandering frame of reference', models characterizing the mean wake deficit as well as the added wake turbulence, described in the meandering frame of reference, are an integrated part the model complex. For design applications, the computational efficiency of wake deficit prediction is a key issue. Two computationally low cost models are developed for this purpose. The character of the added wake turbulence, generated by the up-stream turbine in the form of shed and trailed vorticity, has been approached by analytical as well as by numerical studies. The dynamic wake meandering philosophy has been verified by comparing model predictions with extensive full-scale measurements. These comparisons have demonstrated good agreement, both qualitatively and quantitatively, concerning both flow characteristics and turbine load characteristics. Contrary to previous attempts to model wake loading, the dynamic wake meandering approach opens for a unifying description in the sense that turbine power and load aspects can be treated simultaneously. This capability is a direct and attractive consequence of the model being based on the underlying physical process, and it potentially opens for optimization of wind farm topology, of wind farm operation as

  13. Atomistic study of drag, surface and inertial effects on edge dislocations in face-centered cubic metals

    International Nuclear Information System (INIS)

    Bitzek, Erik; Gumbsch, Peter

    2004-01-01

    Atomistic simulations of an accelerating edge dislocation were carried out to study the effects of drag and inertia. Using an embedded atom potential for nickel, the Peierls stress, the effective mass and the drag coefficient of an edge dislocation were determined for different temperatures and stresses in a simple slab geometry. The effect of {1 1 1} surfaces on an intersecting edge dislocation were studied by appropriately cutting the slab. A dislocation intersecting a surface step was used as a model system to demonstrate the importance of inertial effects for dynamically overcoming short range obstacles. Significant effects were found even at room temperature. A simple model based on the dislocation-obstacle interaction energies was used to describe the findings

  14. Dynamical chiral bag model

    International Nuclear Information System (INIS)

    Colanero, K.; Chu, M.-C.

    2002-01-01

    We study a dynamical chiral bag model, in which massless fermions are confined within an impenetrable but movable bag coupled to meson fields. The self-consistent motion of the bag is obtained by solving the equations of motion exactly assuming spherical symmetry. When the bag interacts with an external meson wave we find three different kinds of resonances: fermionic, geometric, and σ resonances. We discuss the phenomenological implications of our results

  15. Model for macroevolutionary dynamics.

    Science.gov (United States)

    Maruvka, Yosef E; Shnerb, Nadav M; Kessler, David A; Ricklefs, Robert E

    2013-07-02

    The highly skewed distribution of species among genera, although challenging to macroevolutionists, provides an opportunity to understand the dynamics of diversification, including species formation, extinction, and morphological evolution. Early models were based on either the work by Yule [Yule GU (1925) Philos Trans R Soc Lond B Biol Sci 213:21-87], which neglects extinction, or a simple birth-death (speciation-extinction) process. Here, we extend the more recent development of a generic, neutral speciation-extinction (of species)-origination (of genera; SEO) model for macroevolutionary dynamics of taxon diversification. Simulations show that deviations from the homogeneity assumptions in the model can be detected in species-per-genus distributions. The SEO model fits observed species-per-genus distributions well for class-to-kingdom-sized taxonomic groups. The model's predictions for the appearance times (the time of the first existing species) of the taxonomic groups also approximately match estimates based on molecular inference and fossil records. Unlike estimates based on analyses of phylogenetic reconstruction, fitted extinction rates for large clades are close to speciation rates, consistent with high rates of species turnover and the relatively slow change in diversity observed in the fossil record. Finally, the SEO model generally supports the consistency of generic boundaries based on morphological differences between species and provides a comparator for rates of lineage splitting and morphological evolution.

  16. RETRAN dynamic slip model

    International Nuclear Information System (INIS)

    McFadden, J.H.; Paulsen, M.P.; Gose, G.C.

    1981-01-01

    Thermal-hydraulic codes in general use for system calculations are based on extensive analyses of loss-of-coolant accidents following the postulated rupture of a large coolant pipe. In this study, time-dependent equation for the slip velocity in a two-phase flow condition has been incorporated into the RETRAN-02 computer code. This model addition was undertaken to remove a limitation in RETRAN-01 associated with the homogeneous equilibrium mixture model. The dynamic slip equation was derived from a set of two-fluid conservation equations. 18 refs

  17. Contact dynamics math model

    Science.gov (United States)

    Glaese, John R.; Tobbe, Patrick A.

    1986-01-01

    The Space Station Mechanism Test Bed consists of a hydraulically driven, computer controlled six degree of freedom (DOF) motion system with which docking, berthing, and other mechanisms can be evaluated. Measured contact forces and moments are provided to the simulation host computer to enable representation of orbital contact dynamics. This report describes the development of a generalized math model which represents the relative motion between two rigid orbiting vehicles. The model allows motion in six DOF for each body, with no vehicle size limitation. The rotational and translational equations of motion are derived. The method used to transform the forces and moments from the sensor location to the vehicles' centers of mass is also explained. Two math models of docking mechanisms, a simple translational spring and the Remote Manipulator System end effector, are presented along with simulation results. The translational spring model is used in an attempt to verify the simulation with compensated hardware in the loop results.

  18. Numerical Simulation on Slabs Dislocation of Zipingpu Concrete Faced Rockfill Dam during the Wenchuan Earthquake Based on a Generalized Plasticity Model

    Directory of Open Access Journals (Sweden)

    Bin Xu

    2014-01-01

    Full Text Available After the Wenchuan earthquake in 2008, the Zipingpu concrete faced rockfill dam (CFRD was found slabs dislocation between different stages slabs and the maximum value reached 17 cm. This is a new damage pattern and did not occur in previous seismic damage investigation. Slabs dislocation will affect the seepage control system of the CFRD gravely and even the safety of the dam. Therefore, investigations of the slabs dislocation’s mechanism and development might be meaningful to the engineering design of the CFRD. In this study, based on the previous studies by the authors, the slabs dislocation phenomenon of the Zipingpu CFRD was investigated. The procedure and constitutive model of materials used for finite element analysis are consistent. The water elevation, the angel, and the strength of the construction joints were among major variables of investigation. The results indicated that the finite element procedure based on a modified generalized plasticity model and a perfect elastoplastic interface model can be used to evaluate the dislocation damage of face slabs of concrete faced rockfill dam during earthquake. The effects of the water elevation, the angel, and the strength of the construction joints are issues of major design concern under seismic loading.

  19. Rules for Forest Interactions between Dislocations

    International Nuclear Information System (INIS)

    Wickham, L. K.; Schwarz, K. W.; Stoelken, J. S.

    1999-01-01

    The dynamical interactions of dislocations existing on intersecting glide planes have been investigated using numerical simulations based on isotropic linear elastic theory. It is found that such dislocations either repel, attract and form growing junctions, or attract and form bound crossed states. Which of these occurs can be predicted from a surprisingly simple analysis of the initial configurations. The outcome is determined primarily by the angles which the dislocations initially make with the glide-plane intersection edge, and is largely independent of the initial distance between the dislocations, their initial curvature, or ambient applied stresses. The results provide a rule for dealing with forest interactions within the context of large multiple-dislocation computations. (c) 1999 The American Physical Society

  20. The general dynamic model

    DEFF Research Database (Denmark)

    Borregaard, Michael K.; Matthews, Thomas J.; Whittaker, Robert James

    2016-01-01

    Aim: Island biogeography focuses on understanding the processes that underlie a set of well-described patterns on islands, but it lacks a unified theoretical framework for integrating these processes. The recently proposed general dynamic model (GDM) of oceanic island biogeography offers a step...... towards this goal. Here, we present an analysis of causality within the GDM and investigate its potential for the further development of island biogeographical theory. Further, we extend the GDM to include subduction-based island arcs and continental fragment islands. Location: A conceptual analysis...... of evolutionary processes in simulations derived from the mechanistic assumptions of the GDM corresponded broadly to those initially suggested, with the exception of trends in extinction rates. Expanding the model to incorporate different scenarios of island ontogeny and isolation revealed a sensitivity...

  1. A Graphic Overlay Method for Selection of Osteotomy Site in Chronic Radial Head Dislocation: An Evaluation of 3D-printed Bone Models.

    Science.gov (United States)

    Kim, Hui Taek; Ahn, Tae Young; Jang, Jae Hoon; Kim, Kang Hee; Lee, Sung Jae; Jung, Duk Young

    2017-03-01

    Three-dimensional (3D) computed tomography imaging is now being used to generate 3D models for planning orthopaedic surgery, but the process remains time consuming and expensive. For chronic radial head dislocation, we have designed a graphic overlay approach that employs selected 3D computer images and widely available software to simplify the process of osteotomy site selection. We studied 5 patients (2 traumatic and 3 congenital) with unilateral radial head dislocation. These patients were treated with surgery based on traditional radiographs, but they also had full sets of 3D CT imaging done both before and after their surgery: these 3D CT images form the basis for this study. From the 3D CT images, each patient generated 3 sets of 3D-printed bone models: 2 copies of the preoperative condition, and 1 copy of the postoperative condition. One set of the preoperative models was then actually osteotomized and fixed in the manner suggested by our graphic technique. Arcs of rotation of the 3 sets of 3D-printed bone models were then compared. Arcs of rotation of the 3 groups of bone models were significantly different, with the models osteotomized accordingly to our graphic technique having the widest arcs. For chronic radial head dislocation, our graphic overlay approach simplifies the selection of the osteotomy site(s). Three-dimensional-printed bone models suggest that this approach could improve range of motion of the forearm in actual surgical practice. Level IV-therapeutic study.

  2. Dynamic Linear Models with R

    CERN Document Server

    Campagnoli, Patrizia; Petris, Giovanni

    2009-01-01

    State space models have gained tremendous popularity in as disparate fields as engineering, economics, genetics and ecology. Introducing general state space models, this book focuses on dynamic linear models, emphasizing their Bayesian analysis. It illustrates the fundamental steps needed to use dynamic linear models in practice, using R package.

  3. GIS and dynamic phenomena modeling

    Czech Academy of Sciences Publication Activity Database

    Klimešová, Dana

    2006-01-01

    Roč. 4, č. 4 (2006), s. 11-15 ISSN 0139-570X Institutional research plan: CEZ:AV0Z10750506 Keywords : dynamic modelling * temporal analysis * dynamics evaluation * temporal space Subject RIV: BC - Control Systems Theory

  4. Dislocation motion in tungsten: Atomistic input to discrete dislocation simulations

    Czech Academy of Sciences Publication Activity Database

    Srivastava, K.; Gröger, Roman; Weygand, D.; Gumbsch, P.

    2013-01-01

    Roč. 47, AUG (2013), s. 126-142 ISSN 0749-6419 R&D Projects: GA ČR GAP204/10/0255; GA MŠk(CZ) ED1.1.00/02.0068 Institutional support: RVO:68081723 Keywords : body -centered cubic * non-Schmid effects * anomalous slip * discrete dislocation dynamics Subject RIV: BM - Solid Matter Physics ; Magnetism; BM - Solid Matter Physics ; Magnetism (UFM-A) Impact factor: 5.971, year: 2013

  5. Solute effects on edge dislocation pinning in complex alpha-Fe alloys

    Science.gov (United States)

    Pascuet, M. I.; Martínez, E.; Monnet, G.; Malerba, L.

    2017-10-01

    Reactor pressure vessel steels are well-known to harden and embrittle under neutron irradiation, mainly because of the formation of obstacles to the motion of dislocations, in particular, precipitates and clusters composed of Cu, Ni, Mn, Si and P. In this paper, we employ two complementary atomistic modelling techniques to study the heterogeneous precipitation and segregation of these elements and their effects on the edge dislocations in BCC iron. We use a special and highly computationally efficient Monte Carlo algorithm in a constrained semi-grand canonical ensemble to compute the equilibrium configurations for solute clusters around the dislocation core. Next, we use standard molecular dynamics to predict and analyze the effect of this segregation on the dislocation mobility. Consistently with expectations our results confirm that the required stress for dislocation unpinning from the precipitates formed on top of it is quite large. The identification of the precipitate resistance allows a quantitative treatment of atomistic results, enabling scale transition towards larger scale simulations, such as dislocation dynamics or phase field.

  6. A new computational method for studies of 3-D dislocation-precipitate interactions in reactor steels

    International Nuclear Information System (INIS)

    Takahashi, A.; Gohniem, N.M.

    2008-01-01

    To enable computational design of advanced steels for reactor pressure vessels and core structural components, we present a new computational method for studies of the interaction between dislocations and precipitates. The method is based on three-dimensional parametric dislocation dynamics, Eshelby's inclusion and inhomogeneity solutions, and boundary and volume element numerical models. Results from this new method are successfully compared to recent molecular dynamics (MD) simulation results, and show good agreement with atomistic simulations. Then the method is first applied to the investigation of the critical shear stress (CSS) of precipitates sheared by successive dislocation cuttings. The simulations reveal that the CSS is reduced when dislocations cut precipitates, and that it can be as low as half the original value for a completely sheared precipitate. The influence of precipitate geometry and the ratio of precipitate-to-matrix elastic shear modulus on the CSS is presented, and the dependence of the interaction stress between dislocations and precipitates on their relative geometry is discussed. Finally an extension of the method to incorporate the dislocation core contribution to the CSS is highlighted. (author)

  7. Nanoscale dislocation shear loops at static equilibrium and finite temperature

    Science.gov (United States)

    Dang, Khanh; Capolungo, Laurent; Spearot, Douglas E.

    2017-12-01

    Atomistic simulations are used to determine the resolved shear stress necessary for equilibrium and the resulting geometry of nanoscale dislocation shear loops in Al. Dislocation loops with different sizes and shapes are created via superposition of elemental triangular dislocation displacement fields in the presence of an externally imposed shear stress. First, a bisection algorithm is developed to determine systematically the resolved shear stress necessary for equilibrium at 0 K. This approach allows for the identification of dislocation core structure and a correlation between dislocation loop size, shape and the computed shear stress for equilibrium. It is found, in agreement with predictions made by Scattergood and Bacon, that the equilibrium shape of a dislocation loop becomes more circular with increasing loop size. Second, the bisection algorithm is extended to study the influence of temperature on the resolved shear stress necessary for stability. An approach is presented to compute the effective lattice friction stress, including temperature dependence, for dislocation loops in Al. The temperature dependence of the effective lattice friction stress can be reliably computed for dislocation loops larger than 16.2 nm. However, for dislocation loops smaller than this threshold, the effective lattice friction stress shows a dislocation loop size dependence caused by significant overlap of the stress fields on the interior of the dislocation loops. Combined, static and finite temperature atomistic simulations provide essential data to parameterize discrete dislocation dynamics simulations.

  8. Modelling dynamic roughness during floods

    NARCIS (Netherlands)

    Paarlberg, Andries; Dohmen-Janssen, Catarine M.; Hulscher, Suzanne J.M.H.; Termes, A.P.P.

    2007-01-01

    In this paper, we present a dynamic roughness model to predict water levels during floods. Hysteresis effects of dune development are explicitly included. It is shown that differences between the new dynamic roughness model, and models where the roughness coefficient is calibrated, are most

  9. Steps and dislocations in cubic lyotropic crystals

    International Nuclear Information System (INIS)

    Leroy, S; Pieranski, P

    2006-01-01

    It has been shown recently that lyotropic systems are convenient for studies of faceting, growth or anisotropic surface melting of crystals. All these phenomena imply the active contribution of surface steps and bulk dislocations. We show here that steps can be observed in situ and in real time by means of a new method combining hygroscopy with phase contrast. First results raise interesting issues about the consequences of bicontinuous topology on the structure and dynamical behaviour of steps and dislocations

  10. Primary traumatic patellar dislocation

    Directory of Open Access Journals (Sweden)

    Tsai Chun-Hao

    2012-06-01

    Full Text Available Abstract Acute traumatic patellar dislocation is a common injury in the active and young adult populations. MRI of the knee is recommended in all patients who present with acute patellar dislocation. Numerous operative and non-operative methods have been described to treat the injuries; however, the ideal management of the acute traumatic patellar dislocation in young adults is still in debate. This article is intended to review the studies to the subjects of epidemiology, initial examination and management.

  11. Scattering of phonons by dislocations

    International Nuclear Information System (INIS)

    Anderson, A.C.

    1979-01-01

    By 1950, an explicit effort had been launched to use lattice thermal conductivity measurements in the investigation of defect structures in solids. This technique has been highly successful, especially when combined with the measurements of other properties such as optical absorption. One exception has been the study of dislocations. Although dislocations have a profound effect on the phonon thermal conductivity, the mechanisms of the phonon-dislocation interaction are poorly understood. The most basic questions are still debated in the literature. It therefore is pointless to attempt a quantitative comparison between an extensive accumulation of experimental data on the one hand, and the numerous theoretical models on the other. Instead, this chapter will attempt to glean a few qualitative conclusions from the existing experimental data. These results will then be compared with two general models which incorporate, in a qualitative manner, most of the proposed theories of the phonon-dislocation interaction. Until very recently, measurement of thermal conductivity was the only means available to probe the interaction between phonons and defects at phonon frequencies above the standard ultrasonic range of approx. = 10 9 Hz. The introductory paragraphs provide a brief review of the thermal-conductivity technique and the problems which are encountered in practice. There is also a brief presentation of the theoretical models and the complications that may occur in more realistic situations

  12. Dissociated dislocations in Ni: a computational study

    International Nuclear Information System (INIS)

    Szelestey, P.; Patriarca, M.; Kaski, K.

    2005-01-01

    A systematic computational study of the behavior of a (1/2) dissociated screw dislocation in fcc nickel is presented, in which atomic interactions are described through an embedded-atom potential. A suitable external stress is applied on the system, both for modifying the equilibrium separation distance d and moving the dislocation complex. The structure of the dislocation and its corresponding changes during the motion are studied in the framework of the two-dimensional Peierls model, for different values of the ratio d/a', where a' is the period of the Peierls potential. The distance between the edge and screw components of the partials, as well as their widths, undergo a modulation with period a', as the dislocation moves, and the amplitudes of such oscillations are shown to depend on d/a'. The stress profile acting on the dislocation complex is analyzed and the effective Peierls stress is estimated for different values of d/a'

  13. Cooling as a method of finding topological dislocations in lattice models

    International Nuclear Information System (INIS)

    Gomberoff, K.

    1989-01-01

    It is well known that the O(3) two-dimensional model has configurations with topological charge Q=1 and action S/sub min/=6.69. Since the exponent characterizing the renormalization-group behavior of this model is 4π such configurations invalidate the standard scaling behavior of the topological susceptibility. The analog exponent for the four-dimensional lattice SU(2) gauge model is 10.77. If there would exist configurations with Q=1 and S<10.77 in this model, they would invalidate the standard scaling behavior of its topological susceptibility. Kremer et al. have calculated the action of different configurations during cooling runs. They report that they do not find any configuration with S<12.7 and Q=1. I show that in the O(3) two-dimensional model cooling runs fail to uncover the well-known configurations with S<8. We conclude that the cooling method is not effective in uncovering the smallest action configurations in the Q=1 sector

  14. A Dislocation based Constitutive Model for Warm Forming of Aluminum Sheet

    NARCIS (Netherlands)

    Kurukuri, S.; Ghosh, M.; van den Boogaard, Antonius H.

    2008-01-01

    The formability of aluminum sheet can be improved considerably by increasing the temperature. At elevated temperatures, the mechanical response of the material becomes strain rate dependent. To accurately simulate warm forming of aluminum sheet, a material model is required that incorporates the

  15. On damping of screw dislocation bending vibrations in dissipative crystal: limiting cases

    Science.gov (United States)

    Dezhin, V. V.

    2018-03-01

    The expression for the generalized susceptibility of the dislocation obtained earlier was used. The electronic drag mechanism of dislocations is considered. The study of small dislocation oscillations was limited. The contribution of the attenuation of low-frequency bending screw dislocation vibrations to the overall coefficient of dynamic dislocation drag in the long-wave and short-wave limits is calculated. The damping of short-wave bending screw dislocation vibrations caused by an external action of an arbitrary frequency has been investigated. The contribution of long-wave bending screw dislocation vibrations damping in the total drag coefficient at an arbitrary frequency is found.

  16. Study on the dynamic recrystallization model and mechanism of nuclear grade 316LN austenitic stainless steel

    International Nuclear Information System (INIS)

    Wang, Shenglong; Zhang, Mingxian; Wu, Huanchun; Yang, Bin

    2016-01-01

    In this study, the dynamic recrystallization behaviors of a nuclear grade 316LN austenitic stainless steel were researched through hot compression experiment performed on a Gleeble-1500 simulator at temperatures of 900–1250 °C and strain rates of 0.01–1 s −1 . By multiple linear regressions of the flow stress-strain data, the dynamic recrystallization mathematical models of this steel as functions of strain rate, strain and temperature were developed. Then these models were verified in a real experiment. Furthermore, the dynamic recrystallization mechanism of the steel was determined. The results indicated that the subgrains in this steel are formed through dislocations polygonization and then grow up through subgrain boundaries migration towards high density dislocation areas and subgrain coalescence mechanism. Dynamic recrystallization nucleation performs in grain boundary bulging mechanism and subgrain growth mechanism. The nuclei grow up through high angle grain boundaries migration. - Highlights: •Establish the DRX mathematical models of nuclear grade 316LN stainless steel •Determine the DRX mechanism of this steel •Subgrains are formed through dislocations polygonization. •Subgrains grow up through subgrain boundaries migration and coalescence mechanism. •DRX nucleation performs in grain boundary bulging mechanism and subgrain growth mechanism.

  17. Hybrid dynamics for currency modeling

    OpenAIRE

    Theodosopoulos, Ted; Trifunovic, Alex

    2006-01-01

    We present a simple hybrid dynamical model as a tool to investigate behavioral strategies based on trend following. The multiplicative symbolic dynamics are generated using a lognormal diffusion model for the at-the-money implied volatility term structure. Thus, are model exploits information from derivative markets to obtain qualititative properties of the return distribution for the underlier. We apply our model to the JPY-USD exchange rate and the corresponding 1mo., 3mo., 6mo. and 1yr. im...

  18. Transition pathways in the unfaulting of dislocation loops

    International Nuclear Information System (INIS)

    Kubota, Alison; Wolfer, W.G.

    2005-01-01

    In order to study the dynamic mechanism of loop unfaulting, we performed large-scale classical molecular dynamics simulations involving computational cells with several millions of atoms. To induce dislocation loop unfaulting, we launched 1 ps duration traction stress pulses at a free surface of the computational box. In many cases, we observe unfaulting to involve both intuitive and complex dislocation processes with multiple Shockley partial dislocations. However, in some instances, we observe unfaulting to occur by a sudden instability of the stacking fault without clear traces of dislocation reactions

  19. Dislocation creation and void nucleation in FCC ductile metals under tensile loading: a general microscopic picture.

    Science.gov (United States)

    Pang, Wei-Wei; Zhang, Ping; Zhang, Guang-Cai; Xu, Ai-Guo; Zhao, Xian-Geng

    2014-11-10

    Numerous theoretical and experimental efforts have been paid to describe and understand the dislocation and void nucleation processes that are fundamental for dynamic fracture modeling of strained metals. To date an essential physical picture on the self-organized atomic collective motions during dislocation creation, as well as the essential mechanisms for the void nucleation obscured by the extreme diversity in structural configurations around the void nucleation core, is still severely lacking in literature. Here, we depict the origin of dislocation creation and void nucleation during uniaxial high strain rate tensile processes in face-centered-cubic (FCC) ductile metals. We find that the dislocations are created through three distinguished stages: (i) Flattened octahedral structures (FOSs) are randomly activated by thermal fluctuations; (ii) The double-layer defect clusters are formed by self-organized stacking of FOSs on the close-packed plane; (iii) The stacking faults are formed and the Shockley partial dislocations are created from the double-layer defect clusters. Whereas, the void nucleation is shown to follow a two-stage description. We demonstrate that our findings on the origin of dislocation creation and void nucleation are universal for a variety of FCC ductile metals with low stacking fault energies.

  20. Dislocations and elementary processes of plasticity in FCC metals: atomic scale simulations

    International Nuclear Information System (INIS)

    Rodney, D.

    2000-01-01

    We present atomic-scale simulations of two elementary processes of FCC crystal plasticity. The first study consists in the simulation by molecular dynamics, in a nickel crystal, of the interactions between an edge dislocation and glissile interstitial loops of the type that form under irradiation in displacement cascades. The simulations show various atomic-scale interaction processes leading to the absorption and drag of the loops by the dislocation. These reactions certainly contribute to the formation of the 'clear bands' observed in deformed irradiated materials. The simulations also allow to study quantitatively the role of the glissile loops in irradiation hardening. In particular, dislocation unpinning stresses for certain pinning mechanisms are evaluated from the simulations. The second study consists first in the generalization in three dimensions of the quasi-continuum method (QCM), a multi-scale simulation method which couples atomistic techniques and the finite element method. In the QCM, regions close to dislocation cores are simulated at the atomic-scale while the rest of the crystal is simulated with a lower resolution by means of a discretization of the displacement fields using the finite element method. The QCM is then tested on the simulation of the formation and breaking of dislocation junctions in an aluminum crystal. Comparison of the simulations with an elastic model of dislocation junctions shows that the structure and strength of the junctions are dominated by elastic line tension effects, as is assumed in classical theories. (author)

  1. Computer Modelling of Dynamic Processes

    Directory of Open Access Journals (Sweden)

    B. Rybakin

    2000-10-01

    Full Text Available Results of numerical modeling of dynamic problems are summed in the article up. These problems are characteristic for various areas of human activity, in particular for problem solving in ecology. The following problems are considered in the present work: computer modeling of dynamic effects on elastic-plastic bodies, calculation and determination of performances of gas streams in gas cleaning equipment, modeling of biogas formation processes.

  2. Medial subtalar dislocation: Case report

    Directory of Open Access Journals (Sweden)

    Manojlović Radovan

    2010-01-01

    Full Text Available Introduction. Subtalar dislocation (SI is a term that refers to an injury in which there is dislocation of the talonavicular and talocalcanear joint, although the tibiotalar joint is intact. Case Outline. A case of medial subtalar dislocation as a result of basketball injury, so-called 'basketball foot', is presented. Closed reposition in i.v. anaesthesia was performed with the patient in supine position and a knee flexed at 90 degrees. Longitudinal manual traction in line of deformity was carried out in plantar flexion. The reposition continued with abduction and eversion simultaneously increasing dorsiflexion. It was made in the first attempt and completed instantly. Rehabilitation was initiated after 5 weeks of immobilization. One year after the injury, the functional outcome was excellent with full range of motion and the patient was symptom-free. For better interpretation of roentgenogram, bone model of subtalar dislocation was made using the cadaver bone. Conclusion. Although the treatment of such injury is usually successful, diagnosis can be difficult because it is a rare injury, and moreover, X-ray of the injury can be confusing due to superposition of bones. Radiograms revealed superposition of the calcaneus, tarsal and metatarsal bones which was radiographically visualized in the anterior-posterior projection as one osseous block inward from the talus, and on the lateral view as in an osteal block below the tibial bone. Prompt recognition of these injuries followed by proper, delicately closed reduction under anaesthesia is crucial for achieving a good functional result in case of medial subtalar dislocation.

  3. 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).

  4. Dynamic programming models and applications

    CERN Document Server

    Denardo, Eric V

    2003-01-01

    Introduction to sequential decision processes covers use of dynamic programming in studying models of resource allocation, methods for approximating solutions of control problems in continuous time, production control, more. 1982 edition.

  5. Dynamical models of the Galaxy

    Directory of Open Access Journals (Sweden)

    McMillan P.J.

    2012-02-01

    Full Text Available I discuss the importance of dynamical models for exploiting survey data, focusing on the advantages of “torus” models. I summarize a number of applications of these models to the study of the Milky Way, including the determination of the peculiar Solar velocity and investigation of the Hyades moving group.

  6. Dislocations and melting in two and three dimensions

    DEFF Research Database (Denmark)

    Tallon, Jeffery L.

    1980-01-01

    included, the model system may jump discontinuously from a volume below the dislocation transition to a volume above the disclination transition so that both transitions are virtual and are hidden in the first-order discontinuity. A reinterpretation of the recent molecular-dynamics simulation of two-dimensional......Comments are presented on the recent theories of two-dimensional melting which envisage melting as proceeding via two second-order transitions comprising dislocation dipole dissociation followed by disclination dipole dissociation. It is suggested that if the configurational entropy is properly...... melting of Frenkel and McTague, reveals that such is the case for a Lennard-Jones system. There may be no fundamental difference between two-and three-dimensional melting. ©1980 The American Physical Society...

  7. Modeling shockwave deformation via molecular dynamics

    International Nuclear Information System (INIS)

    Holian, B.L.

    1987-01-01

    Molecular dynamics (MD), where the equations of motion of up to thousands of interacting atoms are solved on the computer, has proven to be a powerful tool for investigating a wide variety of nonequilibrium processes from the atomistic viewpoint. Simulations of shock waves in three-dimensional (3D) solids and fluids have shown conclusively that shear-stress relaxation is achieved through atomic rearrangement. In the case of fluids, the transverse motion is viscous, and the constitutive model of Navier-Stokes hydrodynamics has been shown to be accurate - even on the time and distance scales of MD experiments. For strong shocks in solids, the plastic flow that leads to shear-stress relaxation in MD is highly localized near the shock front, involving a slippage along close-packed planes. For shocks of intermediate strength, MD calculations exhibit an elastic precursor running out in front of the steady plastic wave, where slippage similar in character to that in the very strong shocks leads to shear-stress relaxation. An interesting correlation between the maximum shear stress and the Hugoniot pressure jump is observed for both 3D and fluid shockwave calculations, which may have some utility in modeling applications. At low shock strengths, the MD simulations show only elastic compression, with no permanent transverse atomic strains. The result for perfect 3D crystals is also seen in calculations for 1D chains. It is speculated that, if it were practical, a very large MD system containing dislocations could be expected to exhibit more realistic plastic flow for weak shock waves, too

  8. Dislocation: First Aid

    Science.gov (United States)

    ... or a collision during contact or high-speed sports. Dislocation usually involves the body's larger joints. In adults, the most common site of the injury is the shoulder. In children, it's the elbow. ...

  9. Broken or dislocated jaw

    Science.gov (United States)

    ... broken or dislocated jaw requires prompt medical attention. Emergency symptoms include difficulty breathing or heavy bleeding. ... safety equipment, such as a helmet when playing football, or using ... can prevent or minimize some injuries to the face or jaw.

  10. Stage IV work-hardening related to disorientations in dislocation structures

    DEFF Research Database (Denmark)

    Pantleon, W.

    2004-01-01

    The effect of deformation-induced disorientations on the work-hardening of metals is modelled based on dislocation dynamics. Essentially, Kocks’ dislocation model describing stage III hardening is extended to stage IV by incorporation of excess dislocations related to the disorientations....... Disorientations evolving from purely statistical reasons — leading to a square root dependence of the average disorientation angle on strain — affect the initial work-hardening rate (and the saturation stress) of stage III only slightly. On the other hand, deterministic contributions to the development...... of disorientations, as differences in the activated slip systems across boundaries, cause a linear increase of the flow stress at large strains. Such a constant work-hardening rate is characteristic for stage IV....

  11. Mechanism of Strain Rate Effect Based on Dislocation Theory

    International Nuclear Information System (INIS)

    Kun, Qin; Shi-Sheng, Hu; Li-Ming, Yang

    2009-01-01

    Based on dislocation theory, we investigate the mechanism of strain rate effect. Strain rate effect and dislocation motion are bridged by Orowan's relationship, and the stress dependence of dislocation velocity is considered as the dynamics relationship of dislocation motion. The mechanism of strain rate effect is then investigated qualitatively by using these two relationships although the kinematics relationship of dislocation motion is absent due to complicated styles of dislocation motion. The process of strain rate effect is interpreted and some details of strain rate effect are adequately discussed. The present analyses agree with the existing experimental results. Based on the analyses, we propose that strain rate criteria rather than stress criteria should be satisfied when a metal is fully yielded at a given strain rate. (condensed matter: structure, mechanical and thermal properties)

  12. RETRAN dynamic slip model

    International Nuclear Information System (INIS)

    McFadden, J.H.; Paulsen, M.P.; Gose, G.C.

    1981-01-01

    A time dependent equation for the slip velocity in a two-phase flow condition has been incorporated into a developmental version of the RETRAN computer code. This model addition has been undertaken to remove a limitation in RETRAN-01 associated with the homogeneous equilibrium mixture model. In this paper, the development of the slip model is summarized and the corresponding constitutive equations are discussed. Comparisons of RETRAN analyses with steady-state void fraction data and data from the Semiscale S-02-6 small break test are also presented

  13. Modeling Propellant Tank Dynamics

    Data.gov (United States)

    National Aeronautics and Space Administration — The main objective of my work will be to develop accurate models of self-pressurizing propellant tanks for use in designing hybrid rockets. The first key goal is to...

  14. Microtubules Nonlinear Models Dynamics Investigations through the exp(−Φ(ξ-Expansion Method Implementation

    Directory of Open Access Journals (Sweden)

    Nur Alam

    2016-02-01

    Full Text Available In this research article, we present exact solutions with parameters for two nonlinear model partial differential equations(PDEs describing microtubules, by implementing the exp(−Φ(ξ-Expansion Method. The considered models, describing highly nonlinear dynamics of microtubules, can be reduced to nonlinear ordinary differential equations. While the first PDE describes the longitudinal model of nonlinear dynamics of microtubules, the second one describes the nonlinear model of dynamics of radial dislocations in microtubules. The acquired solutions are then graphically presented, and their distinct properties are enumerated in respect to the corresponding dynamic behavior of the microtubules they model. Various patterns, including but not limited to regular, singular kink-like, as well as periodicity exhibiting ones, are detected. Being the method of choice herein, the exp(−Φ(ξ-Expansion Method not disappointing in the least, is found and declared highly efficient.

  15. Modelling group dynamic animal movement

    DEFF Research Database (Denmark)

    Langrock, Roland; Hopcraft, J. Grant C.; Blackwell, Paul G.

    2014-01-01

    makes its movement decisions relative to the group centroid. The basic idea is framed within the flexible class of hidden Markov models, extending previous work on modelling animal movement by means of multi-state random walks. While in simulation experiments parameter estimators exhibit some bias......, to date, practical statistical methods which can include group dynamics in animal movement models have been lacking. We consider a flexible modelling framework that distinguishes a group-level model, describing the movement of the group's centre, and an individual-level model, such that each individual......Group dynamic movement is a fundamental aspect of many species' movements. The need to adequately model individuals' interactions with other group members has been recognised, particularly in order to differentiate the role of social forces in individual movement from environmental factors. However...

  16. Modeling Internet Topology Dynamics

    NARCIS (Netherlands)

    Haddadi, H.; Uhlig, S.; Moore, A.; Mortier, R.; Rio, M.

    Despite the large number of papers on network topology modeling and inference, there still exists ambiguity about the real nature of the Internet AS and router level topology. While recent findings have illustrated the inaccuracies in maps inferred from BGP peering and traceroute measurements,

  17. Generative Models of Conformational Dynamics

    OpenAIRE

    Langmead, Christopher James

    2014-01-01

    Atomistic simulations of the conformational dynamics of proteins can be performed using either Molecular Dynamics or Monte Carlo procedures. The ensembles of three-dimensional structures produced during simulation can be analyzed in a number of ways to elucidate the thermodynamic and kinetic properties of the system. The goal of this chapter is to review both traditional and emerging methods for learning generative models from atomistic simulation data. Here, the term ‘generative’ refers to a...

  18. Vehicle dynamics modeling and simulation

    CERN Document Server

    Schramm, Dieter; Bardini, Roberto

    2014-01-01

    The authors examine in detail the fundamentals and mathematical descriptions of the dynamics of automobiles. In this context different levels of complexity will be presented, starting with basic single-track models up to complex three-dimensional multi-body models. A particular focus is on the process of establishing mathematical models on the basis of real cars and the validation of simulation results. The methods presented are explained in detail by means of selected application scenarios.

  19. Containing Terrorism: A Dynamic Model

    Directory of Open Access Journals (Sweden)

    Giti Zahedzadeh

    2017-06-01

    Full Text Available The strategic interplay between counterterror measures and terror activity is complex. Herein, we propose a dynamic model to depict this interaction. The model generates stylized prognoses: (i under conditions of inefficient counterterror measures, terror groups enjoy longer period of activity but only if recruitment into terror groups remains low; high recruitment shortens the period of terror activity (ii highly efficient counterterror measures effectively contain terror activity, but only if recruitment remains low. Thus, highly efficient counterterror measures can effectively contain terrorism if recruitment remains restrained. We conclude that the trajectory of the dynamics between counterterror measures and terror activity is heavily altered by recruitment.

  20. Enabling full field physics based OPC via dynamic model generation

    Science.gov (United States)

    Lam, Michael; Clifford, Chris; Raghunathan, Ananthan; Fenger, Germain; Adam, Kostas

    2017-03-01

    As EUV lithography marches closer to reality for high volume production, its peculiar modeling challenges related to both inter- and intra- field effects has necessitated building OPC infrastructure that operates with field position dependency. Previous state of the art approaches to modeling field dependency used piecewise constant models where static input models are assigned to specific x/y-positions within the field. OPC and simulation could assign the proper static model based on simulation-level placement. However, in the realm of 7nm and 5nm feature sizes, small discontinuities in OPC from piecewise constant model changes can cause unacceptable levels of EPE errors. The introduction of Dynamic Model Generation (DMG) can be shown to effectively avoid these dislocations by providing unique mask and optical models per simulation region, allowing a near continuum of models through field. DMG allows unique models for EMF, apodization, aberrations, etc to vary through the entire field and provides a capability to precisely and accurately model systematic field signatures.

  1. Mechanisms operating during plastic deformation of metals under concurrent production of cascades and dislocations

    Energy Technology Data Exchange (ETDEWEB)

    Trinkaus, H. [Institut fuer Festkoerperforschung, Forschungszentrum Juelich (Germany); Singh, B.N. [Technical Univ. of Denmark, Risoe National Laboratory for Sustainable Energy, Materials Research Dept., Roskilde (Denmark)

    2008-04-15

    Recent in-reactor tensile tests (IRTs) on pure copper have revealed a deformation behaviour which is significantly different from that observed in post-irradiation tensile tests (PITs). In IRTs, the material deforms uniformly and homogeneously without yield drop and plastic instability as commonly observed in PITs. An increase in the pre-yield dose results in an increase in the level of hardening over the whole test periods and a decrease in the uniform elongation suggesting that the materials 'remember' the impact of the pre-yield damage level. These features are modelled in terms of the decoration of dislocations with glissile dislocation loops. During pre-yield irradiation, dislocation decoration is due to the one-dimensional (1D) diffusion of cascade induced self-interstitial (SIA) clusters and their trapping in the stress field of the static grown-in dislocations. During post-yield irradiation and deformation, moving dislocations are decorated by the sweeping of matrix loops. The interaction of dislocations with loops and between loops is discussed as a function of the relevant parameters. On this basis, the kinetics of decoration is treated in terms of fluxes of loops to and reactions with each other in a conceived 2D space of decoration. In this space, loop coalescence, alignment and mutual blocking reactions are characterised by appropriate reaction cross sections. In the kinetic equations for 'dynamic decoration' under deformation, the evolution of the dislocation density is taken into account. Simple solutions of the kinetic equations are discussed. The apparent memory of the system for the pre-yield dose is identified as the result of simultaneous and closely parallel transient evolutions of the cascade damage and the dislocations up to the end of the IRTs. The contributions of dislocation decoration to yield and flow stresses are attributed to the interaction of dislocations with aligned loops temporarily or permanently immobilized

  2. Mechanisms operating during plastic deformation of metals under concurrent production of cascades and dislocations

    International Nuclear Information System (INIS)

    Trinkaus, H.; Singh, B.N.

    2008-04-01

    Recent in-reactor tensile tests (IRTs) on pure copper have revealed a deformation behaviour which is significantly different from that observed in post-irradiation tensile tests (PITs). In IRTs, the material deforms uniformly and homogeneously without yield drop and plastic instability as commonly observed in PITs. An increase in the pre-yield dose results in an increase in the level of hardening over the whole test periods and a decrease in the uniform elongation suggesting that the materials 'remember' the impact of the pre-yield damage level. These features are modelled in terms of the decoration of dislocations with glissile dislocation loops. During pre-yield irradiation, dislocation decoration is due to the one-dimensional (1D) diffusion of cascade induced self-interstitial (SIA) clusters and their trapping in the stress field of the static grown-in dislocations. During post-yield irradiation and deformation, moving dislocations are decorated by the sweeping of matrix loops. The interaction of dislocations with loops and between loops is discussed as a function of the relevant parameters. On this basis, the kinetics of decoration is treated in terms of fluxes of loops to and reactions with each other in a conceived 2D space of decoration. In this space, loop coalescence, alignment and mutual blocking reactions are characterised by appropriate reaction cross sections. In the kinetic equations for 'dynamic decoration' under deformation, the evolution of the dislocation density is taken into account. Simple solutions of the kinetic equations are discussed. The apparent memory of the system for the pre-yield dose is identified as the result of simultaneous and closely parallel transient evolutions of the cascade damage and the dislocations up to the end of the IRTs. The contributions of dislocation decoration to yield and flow stresses are attributed to the interaction of dislocations with aligned loops temporarily or permanently immobilized by other loops or

  3. A dynamical model of terrorism

    Directory of Open Access Journals (Sweden)

    Firdaus Udwadia

    2006-01-01

    Full Text Available This paper develops a dynamical model of terrorism. We consider the population in a given region as being made up of three primary components: terrorists, those susceptible to both terrorist and pacifist propaganda, and nonsusceptibles, or pacifists. The dynamical behavior of these three populations is studied using a model that incorporates the effects of both direct military/police intervention to reduce the terrorist population, and nonviolent, persuasive intervention to influence the susceptibles to become pacifists. The paper proposes a new paradigm for studying terrorism, and looks at the long-term dynamical evolution in time of these three population components when such interventions are carried out. Many important features—some intuitive, others not nearly so—of the nature of terrorism emerge from the dynamical model proposed, and they lead to several important policy implications for the management of terrorism. The different circumstances in which nonviolent intervention and/or military/police intervention may be beneficial, and the specific conditions under which each mode of intervention, or a combination of both, may be useful, are obtained. The novelty of the model presented herein is that it deals with the time evolution of terrorist activity. It appears to be one of the few models that can be tested, evaluated, and improved upon, through the use of actual field data.

  4. Dislocation kinetics and the acoustic-wave approximation for liquids

    International Nuclear Information System (INIS)

    Stout, R.B.

    1983-03-01

    A dislocation-dependent model for liquids describes the lattice deformation and the fluidity deformation as additive deformations. The lattice deformation represents distortions of an atom's potential energy structure and is a recoverable deformation response. The fluidity deformation represents discontinuous repositioning of atoms by dislocation kinetics in the lattice structure and is a nonrecoverable deformation response. From this model, one concludes that in liquids the acoustic-wave approximation is a description of a recoverable oscillation deformation that has dissipation because of dislocation kinetics. Other more-complex waves may exist, but such waves would rapidly disappear because of the small thermodynamic potential for dislocation kinetics in liquids

  5. Generative Models of Conformational Dynamics

    Science.gov (United States)

    Langmead, Christopher James

    2014-01-01

    Atomistic simulations of the conformational dynamics of proteins can be performed using either Molecular Dynamics or Monte Carlo procedures. The ensembles of three-dimensional structures produced during simulation can be analyzed in a number of ways to elucidate the thermodynamic and kinetic properties of the system. The goal of this chapter is to review both traditional and emerging methods for learning generative models from atomistic simulation data. Here, the term ‘generative’ refers to a model of the joint probability distribution over the behaviors of the constituent atoms. In the context of molecular modeling, generative models reveal the correlation structure between the atoms, and may be used to predict how the system will respond to structural perturbations. We begin by discussing traditional methods, which produce multivariate Gaussian models. We then discuss GAMELAN (GrAphical Models of Energy LANdscapes), which produces generative models of complex, non-Gaussian conformational dynamics (e.g., allostery, binding, folding, etc) from long timescale simulation data. PMID:24446358

  6. In-situ observation of dislocation and analysis of residual stresses by FEM/DDM modeling in water cavitation peening of pure titanium

    International Nuclear Information System (INIS)

    Ju, D Y; Han, B

    2015-01-01

    In this paper, in order to approach this problem, specimens of pure titanium were treated with WCP, and the subsequent changes in microstructure, residual stress, and surface morphologies were investigated as a function of WCP duration. The influence of water cavitation peening (WCP) treatment on the microstructure of pure titanium was investigated. A novel combined finite element and dislocation density method (FEM/DDM), proposed for predicting macro and micro residual stresses induced on the material subsurface treated with water cavitation peening, is also presented. A bilinear elastic-plastic finite element method was conducted to predict macro-residual stresses and a dislocation density method was conducted to predict micro-residual stresses. These approaches made possible the prediction of the magnitude and depth of residual stress fields in pure titanium. The effect of applied impact pressures on the residual stresses was also presented. The results of the FEM/DDM modeling were in good agreement with those of the experimental measurements. (paper)

  7. Harnessing atomistic simulations to predict the rate at which dislocations overcome obstacles

    Science.gov (United States)

    Saroukhani, S.; Nguyen, L. D.; Leung, K. W. K.; Singh, C. V.; Warner, D. H.

    2016-05-01

    Predicting the rate at which dislocations overcome obstacles is key to understanding the microscopic features that govern the plastic flow of modern alloys. In this spirit, the current manuscript examines the rate at which an edge dislocation overcomes an obstacle in aluminum. Predictions were made using different popular variants of Harmonic Transition State Theory (HTST) and compared to those of direct Molecular Dynamics (MD) simulations. The HTST predictions were found to be grossly inaccurate due to the large entropy barrier associated with the dislocation-obstacle interaction. Considering the importance of finite temperature effects, the utility of the Finite Temperature String (FTS) method was then explored. While this approach was found capable of identifying a prominent reaction tube, it was not capable of computing the free energy profile along the tube. Lastly, the utility of the Transition Interface Sampling (TIS) approach was explored, which does not need a free energy profile and is known to be less reliant on the choice of reaction coordinate. The TIS approach was found capable of accurately predicting the rate, relative to direct MD simulations. This finding was utilized to examine the temperature and load dependence of the dislocation-obstacle interaction in a simple periodic cell configuration. An attractive rate prediction approach combining TST and simple continuum models is identified, and the strain rate sensitivity of individual dislocation obstacle interactions is predicted.

  8. Non-basal dislocations should be accounted for in simulating ice mass flow

    Science.gov (United States)

    Chauve, T.; Montagnat, M.; Piazolo, S.; Journaux, B.; Wheeler, J.; Barou, F.; Mainprice, D.; Tommasi, A.

    2017-09-01

    Prediction of ice mass flow and associated dynamics is pivotal at a time of climate change. Ice flow is dominantly accommodated by the motion of crystal defects - the dislocations. In the specific case of ice, their observation is not always accessible by means of the classical tools such as X-ray diffraction or transmission electron microscopy (TEM). Part of the dislocation population, the geometrically necessary dislocations (GNDs) can nevertheless be constrained using crystal orientation measurements via electron backscattering diffraction (EBSD) associated with appropriate analyses based on the Nye (1950) approach. The present study uses the Weighted Burgers Vectors, a reduced formulation of the Nye theory that enables the characterization of GNDs. Applied to ice, this method documents, for the first time, the presence of dislocations with non-basal [ c ] or Burgers vectors. These [ c ] or dislocations represent up to 35% of the GNDs observed in laboratory-deformed ice samples. Our findings offer a more complex and comprehensive picture of the key plasticity processes responsible for polycrystalline ice creep and provide better constraints on the constitutive mechanical laws implemented in ice sheet flow models used to predict the response of Earth ice masses to climate change.

  9. Experimental Modeling of Dynamic Systems

    DEFF Research Database (Denmark)

    Knudsen, Morten Haack

    2006-01-01

    An engineering course, Simulation and Experimental Modeling, has been developed that is based on a method for direct estimation of physical parameters in dynamic systems. Compared with classical system identification, the method appears to be easier to understand, apply, and combine with physical...

  10. Dislocation of jaws

    International Nuclear Information System (INIS)

    Katzberg, R.W.; Hayakawa, K.; Anderson, Q.N.; Manzione, J.V.; Helms, C.A.; Tallents, R.

    1984-01-01

    Pluri-directional tomographic and arthrotomographic findings are described in six patients with dislocation of the jaw severe enough to require medical assistance. A grooved defect along the posterior aspect of the condylar head was noted in two of the six patients. The arthrotomographic findings that were obtained in one patient that was dislocated at the time of the arthrogram did not suggest a meniscocondyle incoordination as a mechanism. However, arthrotomographic findings in the six reported cases suggest that significant intra-articular soft tissue damage may result. (orig.)

  11. Small-scale dislocation plasticity in strontium titanate

    Energy Technology Data Exchange (ETDEWEB)

    Stukowski, Alexander; Javaid, Farhan; Durst, Karsten; Albe, Karsten [Technische Universitaet Darmstadt (Germany)

    2016-07-01

    Strontium titanate (STO) is an optically transparent perovskite oxide ceramic material. In contrast to other ceramics, single crystal STO plastically deforms under ambient condition, without showing a phase transition or early fracture. This remarkable ductility makes it a prime candidate for different technological applications. However, while the mechanical behavior of bulk STO has been studied extensively using uniaxial compression testing techniques, little is known about the local, small-scale behavior and the details of dislocation-based nanoplasticity in this perovskite material. In this contribution we compare results obtained from new nanoindentation experiments and corresponding large-scale molecular dynamics simulations. The evolution of the plastic zone and dislocation structures that form underneath the indenter is investigated using etch-pit methods in experiments and a novel three-dimensional defect identification technique in atomistic computer models. The latter allows tracing the evolution of the complete dislocation line network as function of indentation depth, quantifying the activity of different slip systems, and correlating this information with the recorded load-displacement curves and hardness data.

  12. Dislocations and elementary processes of plasticity in FCC metals: atomic scale simulations; Dislocations et processus elementaires de la plasticite dans les metaux CFC: apports des simulations a l'echelle atomique

    Energy Technology Data Exchange (ETDEWEB)

    Rodney, D

    2000-07-01

    We present atomic-scale simulations of two elementary processes of FCC crystal plasticity. The first study consists in the simulation by molecular dynamics, in a nickel crystal, of the interactions between an edge dislocation and glissile interstitial loops of the type that form under irradiation in displacement cascades. The simulations show various atomic-scale interaction processes leading to the absorption and drag of the loops by the dislocation. These reactions certainly contribute to the formation of the 'clear bands' observed in deformed irradiated materials. The simulations also allow to study quantitatively the role of the glissile loops in irradiation hardening. In particular, dislocation unpinning stresses for certain pinning mechanisms are evaluated from the simulations. The second study consists first in the generalization in three dimensions of the quasi-continuum method (QCM), a multi-scale simulation method which couples atomistic techniques and the finite element method. In the QCM, regions close to dislocation cores are simulated at the atomic-scale while the rest of the crystal is simulated with a lower resolution by means of a discretization of the displacement fields using the finite element method. The QCM is then tested on the simulation of the formation and breaking of dislocation junctions in an aluminum crystal. Comparison of the simulations with an elastic model of dislocation junctions shows that the structure and strength of the junctions are dominated by elastic line tension effects, as is assumed in classical theories. (author)

  13. Gradients of geometrically necessary dislocations from white beam microdiffraction

    International Nuclear Information System (INIS)

    Barabash, R.I.; Ice, G.E.; Pang, J.W.L.

    2005-01-01

    Variations in the local crystallographic orientation due to the presence of geometrically necessary dislocations and dislocation boundaries smear the distribution of intensity near Laue reflections. Here, some simple model distributions of geometrically necessary dislocations, GNDs, are used to estimate the dislocation tensor field from the intensity distribution of Laue peaks. Streaking of the Laue spots is found to be quantitatively and qualitatively distinct depending on the ratio between the absorption coefficient and the GND density gradient. In addition, different slip systems cause distinctly different Laue-pattern streaking. Experimental Laue patterns are therefore sensitive to stored dislocations and GNDs. As an example, white beam microdiffraction was applied to characterize the dislocation arrangement in a deformed polycrystalline Ni grain during in situ uniaxial tension

  14. High rate deformation of metallic liner and its dislocation description

    International Nuclear Information System (INIS)

    Prut, V.V.; Shybaev, S.A.

    1996-01-01

    The dynamics of deformation in cylindrical liners are studied experimentally and theoretically in Z-pinch geometry, where the cylinders are deformed by a magnetic field created by a current flowing along the axis. This method allows one to obtain one-dimensional deformation and a reliable recording of magnetic field and cylinder deformation. The experiments are performed with a current amplitude of 0.8-3 MA and a current rise time of 2.5-4 μs. Aluminium and copper tubes, from 4 to 6 mm in diameter and 0.25-1 mm wall thick, are compressed. The deformation rates under study are in the range of 10 5 -10 6 s -1 . The time dependence of the radii of the copper and aluminium tubes are measured with a streak camera and by the pulsed x-ray technique. The time resolution of the streak and x-ray photographs is 10-15 ns, their spatial resolution is 10-15 μm. A rheological model describing the dynamics of compression is developed. The model includes the description of the metal as a plastic medium with moving dislocations in the solid state, and as a viscous medium in the liquid state. The one-dimensional solution to magneto-hydrodynamical equations of the liner dynamics is compared with the experimental results and thus the following rheological parameters of the metal are obtained: β, the probability of dislocation generation in plastic deformation; and σ d , the drag stress, the parameter which characterizes a drag force acting on the dislocation. (Author)

  15. Dislocated Worker Project.

    Science.gov (United States)

    1988

    Due to the severe economic decline in the automobile manufacturing industry in southeastern Michigan, a Dislocated Workers Program has been developed through the partnership of the Flint Area Chamber of Commerce, three community colleges, the National Center for Research in Vocational Education, the Michigan State Department of Education, the…

  16. Dislocation Structures in Creep-deformed Polycrystalline MgO

    DEFF Research Database (Denmark)

    Bilde-Sørensen, Jørgen

    1972-01-01

    dislocation segments lie in their slip or climb planes. On the basis of this structure, a model is proposed in which glide is the principal cause of deformation but the rate-limiting process, i.e. annealing of the network, is diffusion-controlled. Theoretical estimates and experimental results agree within 1...... energy of 76 ± 12 kcal/mol. The creep rate is independent of grain size. The dislocation structure was investigated by transmission electron microscopy. The total dislocation density follows the relation, σ=bG√ρ, commonly found for metals. The dislocations form a 3-dimensional network in which many...

  17. Business model dynamics and innovation

    DEFF Research Database (Denmark)

    Cavalcante, Sergio Andre; Kesting, Peter; Ulhøi, John Parm

    2011-01-01

    the impact of specific changes to a firm's business model. Such a tool would be particularly useful in identifying path dependencies and resistance at the process level, and would therefore allow a firm's management to take focused action on this in advance. Originality/value – The paper makes two main...... and specifies four different types of business model change: business model creation, extension, revision, and termination. Each type of business model change is associated with specific challenges. Practical implications – The proposed typology can serve as a basis for developing a management tool to evaluate......Purpose – This paper aims to discuss the need to dynamize the existing conceptualization of business model, and proposes a new typology to distinguish different types of business model change. Design/methodology/approach – The paper integrates basic insights of innovation, business process...

  18. On whole Abelian model dynamics

    Energy Technology Data Exchange (ETDEWEB)

    Chauca, J.; Doria, R. [CBPF, Rio de Janeiro (Brazil); Aprendanet, Petropolis, 25600 (Brazil)

    2012-09-24

    Physics challenge is to determine the objects dynamics. However, there are two ways for deciphering the part. The first one is to search for the ultimate constituents; the second one is to understand its behaviour in whole terms. Therefore, the parts can be defined either from elementary constituents or as whole functions. Historically, science has been moving through the first aspect, however, quarks confinement and complexity are interrupting this usual approach. These relevant facts are supporting for a systemic vision be introduced. Our effort here is to study on the whole meaning through gauge theory. Consider a systemic dynamics oriented through the U(1) - systemic gauge parameter which function is to collect a fields set {l_brace}A{sub {mu}I}{r_brace}. Derive the corresponding whole gauge invariant Lagrangian, equations of motion, Bianchi identities, Noether relationships, charges and Ward-Takahashi equations. Whole Lorentz force and BRST symmetry are also studied. These expressions bring new interpretations further than the usual abelian model. They are generating a systemic system governed by 2N+ 10 classical equations plus Ward-Takahashi identities. A whole dynamics based on the notions of directive and circumstance is producing a set determinism where the parts dynamics are inserted in the whole evolution. A dynamics based on state, collective and individual equations with a systemic interdependence.

  19. Dislocated Shoulder: Symptoms and Causes

    Science.gov (United States)

    ... caused by: Sports injuries. Shoulder dislocation is a common injury in contact sports, such as football and hockey, and in sports that may involve falls, such as downhill skiing, gymnastics and volleyball. ... is a common source of dislocation. Falls. You may dislocate your ...

  20. 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,

  1. Modelling MIZ dynamics in a global model

    Science.gov (United States)

    Rynders, Stefanie; Aksenov, Yevgeny; Feltham, Daniel; Nurser, George; Naveira Garabato, Alberto

    2016-04-01

    Exposure of large, previously ice-covered areas of the Arctic Ocean to the wind and surface ocean waves results in the Arctic pack ice cover becoming more fragmented and mobile, with large regions of ice cover evolving into the Marginal Ice Zone (MIZ). The need for better climate predictions, along with growing economic activity in the Polar Oceans, necessitates climate and forecasting models that can simulate fragmented sea ice with a greater fidelity. Current models are not fully fit for the purpose, since they neither model surface ocean waves in the MIZ, nor account for the effect of floe fragmentation on drag, nor include sea ice rheology that represents both the now thinner pack ice and MIZ ice dynamics. All these processes affect the momentum transfer to the ocean. We present initial results from a global ocean model NEMO (Nucleus for European Modelling of the Ocean) coupled to the Los Alamos sea ice model CICE. The model setup implements a novel rheological formulation for sea ice dynamics, accounting for ice floe collisions, thus offering a seamless framework for pack ice and MIZ simulations. The effect of surface waves on ice motion is included through wave pressure and the turbulent kinetic energy of ice floes. In the multidecadal model integrations we examine MIZ and basin scale sea ice and oceanic responses to the changes in ice dynamics. We analyse model sensitivities and attribute them to key sea ice and ocean dynamical mechanisms. The results suggest that the effect of the new ice rheology is confined to the MIZ. However with the current increase in summer MIZ area, which is projected to continue and may become the dominant type of sea ice in the Arctic, we argue that the effects of the combined sea ice rheology will be noticeable in large areas of the Arctic Ocean, affecting sea ice and ocean. With this study we assert that to make more accurate sea ice predictions in the changing Arctic, models need to include MIZ dynamics and physics.

  2. Growth and instability of charged dislocation loops under irradiation in ceramic materials

    CERN Document Server

    Ryazanov, A I; Kinoshita, C; Klaptsov, A V

    2002-01-01

    We have investigated the physical mechanisms of the growth and stability of charged dislocation loops in ceramic materials with very strong different mass of atoms (stabilized cubic zirconia) under different energies and types of irradiation conditions: 100-1000 keV electrons, 100 keV He sup + and 300 keV O sup + ions. The anomalous formation of extended defect clusters (charged dislocation loops) has been observed by TEM under electron irradiation subsequent to ion irradiation. It is demonstrated that very strong strain field (contrast) near charged dislocation loops is formed. The dislocation loops grow up to a critical size and after then become unstable. The instability of the charged dislocation loop leads to the multiplication of dislocation loops and the formation of dislocation network near the charged dislocation loops. A theoretical model is suggested for the explanation of the growth and stability of the charged dislocation loop, taking the charge state of point defects. The calculated distribution...

  3. Social Dynamics Modeling and Inference

    Science.gov (United States)

    2018-03-29

    the experiment(s)/ theory and equipment or analyses. Development of innovative theoretical model and methodologies with experimental verifications...information. The methodology based on communication and information theory (thanks to leave at MIT supported by this research) is described in [J1], [C2...a dynamic system [C1] and as a social learning mechanism in details [J4]. Furthermore, by incentive seeding and rewiring connections, information

  4. Interactions between Lattice Dislocations and Grain Boundaries in Ni3Al Investigated by Means of In Situ TEM and Computer Modelling Experiments

    NARCIS (Netherlands)

    Pestman, B.J.; Hosson, J.Th.M. De

    1992-01-01

    The interaction between lattice dislocations and grain boundaries in Ni3Al has been investigated by means of in situ TEM deformation experiments. The interaction between screw dislocations and a coherent twin boundary could be analyzed in detail. The interaction mechanism found experimentally was

  5. An elasto-plastic self-consistent model with hardening based on dislocation density, twinning and de-twinning: Application to strain path changes in HCP metals

    International Nuclear Information System (INIS)

    Zecevic, Milovan; Knezevic, Marko; Beyerlein, Irene J.; Tomé, Carlos N.

    2015-01-01

    In this work, we develop a polycrystal mean-field constitutive model based on an elastic–plastic self-consistent (EPSC) framework. In this model, we incorporate recently developed subgrain models for dislocation density evolution with thermally activated slip, twin activation via statistical stress fluctuations, reoriented twin domains within the grain and associated stress relaxation, twin boundary hardening, and de-twinning. The model is applied to a systematic set of strain path change tests on pure beryllium (Be). Under the applied deformation conditions, Be deforms by multiple slip modes and deformation twinning and thereby provides a challenging test for model validation. With a single set of material parameters, determined using the flow-stress vs. strain responses during monotonic testing, the model predicts well the evolution of texture, lattice strains, and twinning. With further analysis, we demonstrate the significant influence of internal residual stresses on (1) the flow stress drop when reloading from one path to another, (2) deformation twin activation, (3) de-twinning during a reversal strain path change, and (4) the formation of additional twin variants during a cross-loading sequence. The model presented here can, in principle, be applied to other metals, deforming by multiple slip and twinning modes under a wide range of temperature, strain rate, and strain path conditions

  6. Irradiation-induced amorphization in split-dislocation cores

    International Nuclear Information System (INIS)

    Ovid'ko, I.A.; Rejzis, A.B.

    1999-01-01

    The model describing special splitting of lattice and grain-boundary dislocations as one of the micromechanisms of solid-phase amorphization in irradiated crystals is proposed. Calculation of energy characteristics of the process of dislocations special splitting is carried out [ru

  7. Dislocation multiplication rate in the early stage of germanium plasticity

    Czech Academy of Sciences Publication Activity Database

    Fikar, J.; Dupas, Corinne; Kruml, Tomáš; Jacques, A.; Martin, J. L.

    400-401, - (2005), s. 431-434 ISSN 0921-5093. [Dislocations 2004. La Colle-sur-Loup, 13.09.2004-17.09.2004] Institutional research plan: CEZ:AV0Z2041904 Keywords : dislocation multiplication * germanium * constitutive modelling Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.347, year: 2005

  8. Tailoring Superconductivity with Quantum Dislocations.

    Science.gov (United States)

    Li, Mingda; Song, Qichen; Liu, Te-Huan; Meroueh, Laureen; Mahan, Gerald D; Dresselhaus, Mildred S; Chen, Gang

    2017-08-09

    Despite the established knowledge that crystal dislocations can affect a material's superconducting properties, the exact mechanism of the electron-dislocation interaction in a dislocated superconductor has long been missing. Being a type of defect, dislocations are expected to decrease a material's superconducting transition temperature (T c ) by breaking the coherence. Yet experimentally, even in isotropic type I superconductors, dislocations can either decrease, increase, or have little influence on T c . These experimental findings have yet to be understood. Although the anisotropic pairing in dirty superconductors has explained impurity-induced T c reduction, no quantitative agreement has been reached in the case a dislocation given its complexity. In this study, by generalizing the one-dimensional quantized dislocation field to three dimensions, we reveal that there are indeed two distinct types of electron-dislocation interactions. Besides the usual electron-dislocation potential scattering, there is another interaction driving an effective attraction between electrons that is caused by dislons, which are quantized modes of a dislocation. The role of dislocations to superconductivity is thus clarified as the competition between the classical and quantum effects, showing excellent agreement with existing experimental data. In particular, the existence of both classical and quantum effects provides a plausible explanation for the illusive origin of dislocation-induced superconductivity in semiconducting PbS/PbTe superlattice nanostructures. A quantitative criterion has been derived, in which a dislocated superconductor with low elastic moduli and small electron effective mass and in a confined environment is inclined to enhance T c . This provides a new pathway for engineering a material's superconducting properties by using dislocations as an additional degree of freedom.

  9. High-temperature discrete dislocation plasticity

    Science.gov (United States)

    Keralavarma, S. M.; Benzerga, A. A.

    2015-09-01

    A framework for solving problems of dislocation-mediated plasticity coupled with point-defect diffusion is presented. The dislocations are modeled as line singularities embedded in a linear elastic medium while the point defects are represented by a concentration field as in continuum diffusion theory. Plastic flow arises due to the collective motion of a large number of dislocations. Both conservative (glide) and nonconservative (diffusion-mediated climb) motions are accounted for. Time scale separation is contingent upon the existence of quasi-equilibrium dislocation configurations. A variational principle is used to derive the coupled governing equations for point-defect diffusion and dislocation climb. Superposition is used to obtain the mechanical fields in terms of the infinite-medium discrete dislocation fields and an image field that enforces the boundary conditions while the point-defect concentration is obtained by solving the stress-dependent diffusion equations on the same finite-element grid. Core-level boundary conditions for the concentration field are avoided by invoking an approximate, yet robust kinetic law. Aspects of the formulation are general but its implementation in a simple plane strain model enables the modeling of high-temperature phenomena such as creep, recovery and relaxation in crystalline materials. With emphasis laid on lattice vacancies, the creep response of planar single crystals in simple tension emerges as a natural outcome in the simulations. A large number of boundary-value problem solutions are obtained which depict transitions from diffusional to power-law creep, in keeping with long-standing phenomenological theories of creep. In addition, some unique experimental aspects of creep in small scale specimens are also reproduced in the simulations.

  10. Neglected isolated scaphoid dislocation

    Directory of Open Access Journals (Sweden)

    Jong-Ryoon Baek

    2016-01-01

    Full Text Available The authors present a case of isolated scaphoid dislocation in a 40-year-old male that was undiagnosed for 2 months. The patient was treated by open reduction, Kirschner wire fixation, interosseous ligament repair using a suture anchor and Blatt's dorsal capsulodesis. At 6 years followup, his radiographs of wrist showed a normal carpal alignment with a scapholunate gap of 3 mm and no evidence of avascular necrosis (AVN of the scaphoid.

  11. Dechanneling by dislocation loops

    International Nuclear Information System (INIS)

    Chalant, Gerard.

    1976-09-01

    Ion implantation always induces the creation of dislocation loops. When the damage profile is determined by a backscattering technique, the dechanneling by these loops is implicitely at the origin of these measurements. The dechanneling of alpha particles by dislocation loops produced by the coalescence of quenched-in vacancies in aluminium is studied. The dechanneling and the concentration of loops were determined simultaneously. The dechanneling width around dislocation was found equal to lambda=6A, both for perfect and imperfect loops having a mean diameter d=250A. In the latter case, a dechanneling probability chi=0.34 was determined for the stacking fault, in good agreement with previous determination in gold. A general formula is proposed which takes into account the variation of lambda with the curvature (or the diameter d) of the loops. Finally, by a series of isothermal anneals, the self-diffusion energy ΔH of aluminium was measured. The value obtained ΔH=1.32+-0.10eV is in good agreement with the values obtained by other methods [fr

  12. Multiscale modeling of pedestrian dynamics

    CERN Document Server

    Cristiani, Emiliano; Tosin, Andrea

    2014-01-01

    This book presents mathematical models and numerical simulations of crowd dynamics. The core topic is the development of a new multiscale paradigm, which bridges the microscopic and macroscopic scales taking the most from each of them for capturing the relevant clues of complexity of crowds. The background idea is indeed that most of the complex trends exhibited by crowds are due to an intrinsic interplay between individual and collective behaviors. The modeling approach promoted in this book pursues actively this intuition and profits from it for designing general mathematical structures susceptible of application also in fields different from the inspiring original one. The book considers also the two most traditional points of view: the microscopic one, in which pedestrians are tracked individually, and the macroscopic one, in which pedestrians are assimilated to a continuum. Selected existing models are critically analyzed. The work is addressed to researchers and graduate students.

  13. The effect of length scale on the determination of geometrically necessary dislocations via EBSD continuum dislocation microscopy

    Energy Technology Data Exchange (ETDEWEB)

    Ruggles, T.J., E-mail: timmyruggs@gmail.com [National Institute of Aerospace, 100 Exploration Way, Hampton, VA 23666 (United States); Department of Mechanical Engineering, Brigham Young University, Provo, UT 84602 (United States); Rampton, T.M. [EDAX Inc., 91 McKee Drive, Mahwah, NJ 07430 (United States); Khosravani, A. [Woodruff School of Mechanical Engineering, Georgia Institute of Technology, Atlanta, GA 30332 (United States); Fullwood, D.T. [Department of Mechanical Engineering, Brigham Young University, Provo, UT 84602 (United States)

    2016-05-15

    Electron backscatter diffraction (EBSD) dislocation microscopy is an important, emerging field in metals characterization. Currently, calculation of geometrically necessary dislocation (GND) density is problematic because it has been shown to depend on the step size of the EBSD scan used to investigate the sample. This paper models the change in calculated GND density as a function of step size statistically. The model provides selection criteria for EBSD step size as well as an estimate of the total dislocation content. Evaluation of a heterogeneously deformed tantalum specimen is used to asses the method. - Highlights: • The GND to SSD transition with increasing step size is analytically modeled. • Dislocation density of a microindented tantalum single crystal is measured. • Guidelines for step size selection in EBSD dislocation microscopy are presented.

  14. A complete absorption mechanism of stacking fault tetrahedron by screw dislocation in copper

    International Nuclear Information System (INIS)

    Fan, Haidong; Wang, Qingyuan

    2013-01-01

    It was frequently observed in experiments that stacking fault tetrahedron (SFT) can be completely absorbed by dislocation and generate defect-free channels in irradiated materials, but the mechanism is still open. In this paper, molecular dynamics (MD) was used to explore the dislocation mechanism of reaction between SFT and screw dislocation in copper. Our computational results reveal that, at high temperature, the SFT is completely absorbed by screw dislocation with the help of Lomer–Cottrell (LC) lock transforming into Lomer dislocation. This complete absorption mechanism is very helpful to understand the defect-free channels in irradiated materials

  15. Simulation of dislocation glide in dilute Fe-Cu alloys

    International Nuclear Information System (INIS)

    Tapasa, K.; Bacon, D.J.; Osetsky, Yu.N.

    2005-01-01

    The effects on dislocation glide of the substitutional element copper in solution in α-iron are being investigated by computer simulation. In the first phase, the critical stress for a 1/2 {110} edge dislocation to overcome configurations of either a single or two nearest-neighbour solute atoms is simulated. Molecular statics and dynamics methods are used to simulate effects at temperature equal to and greater than 0K, respectively. Single copper atoms and nearest-neighbour pairs in the first atomic plane below the glide plane give the strongest barrier to dislocation glide, in partial agreement with elasticity theory. In addition to temperature, obstacle-spacing effects are considered

  16. Characterizing and Modeling Citation Dynamics

    Science.gov (United States)

    Eom, Young-Ho; Fortunato, Santo

    2011-01-01

    Citation distributions are crucial for the analysis and modeling of the activity of scientists. We investigated bibliometric data of papers published in journals of the American Physical Society, searching for the type of function which best describes the observed citation distributions. We used the goodness of fit with Kolmogorov-Smirnov statistics for three classes of functions: log-normal, simple power law and shifted power law. The shifted power law turns out to be the most reliable hypothesis for all citation networks we derived, which correspond to different time spans. We find that citation dynamics is characterized by bursts, usually occurring within a few years since publication of a paper, and the burst size spans several orders of magnitude. We also investigated the microscopic mechanisms for the evolution of citation networks, by proposing a linear preferential attachment with time dependent initial attractiveness. The model successfully reproduces the empirical citation distributions and accounts for the presence of citation bursts as well. PMID:21966387

  17. MATHEMATICAL MODEL FOR RIVERBOAT DYNAMICS

    Directory of Open Access Journals (Sweden)

    Aleksander Grm

    2017-01-01

    Full Text Available Present work describes a simple dynamical model for riverboat motion based on the square drag law. Air and water interactions with the boat are determined from aerodynamic coefficients. CFX simulations were performed with fully developed turbulent flow to determine boat aerodynamic coefficients for an arbitrary angle of attack for the air and water portions separately. The effect of wave resistance is negligible compared to other forces. Boat movement analysis considers only two-dimensional motion, therefore only six aerodynamics coefficients are required. The proposed model is solved and used to determine the critical environmental parameters (wind and current under which river navigation can be conducted safely. Boat simulator was tested in a single area on the Ljubljanica river and estimated critical wind velocity.

  18. CoDCon Dynamic Modeling.

    Energy Technology Data Exchange (ETDEWEB)

    Cipiti, Benjamin B. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

    2017-03-01

    The Co-Decontamination (CoDCon) Demonstration project is designed to test the separation of a mixed U and Pu product from dissolved spent nuclear fuel. The primary purpose of the project is to quantify the accuracy and precision to which a U/Pu mass ratio can be achieved without removing a pure Pu product. The system includes an on-line monitoring system using spectroscopy to monitor the ratios throughout the process. A dynamic model of the CoDCon flowsheet and on-line monitoring system was developed in order to expand the range of scenarios that can be examined for process control and determine overall measurement uncertainty. The model development and initial results are presented here.

  19. Modeling the dynamics of choice.

    Science.gov (United States)

    Baum, William M; Davison, Michael

    2009-06-01

    A simple linear-operator model both describes and predicts the dynamics of choice that may underlie the matching relation. We measured inter-food choice within components of a schedule that presented seven different pairs of concurrent variable-interval schedules for 12 food deliveries each with no signals indicating which pair was in force. This measure of local choice was accurately described and predicted as obtained reinforcer sequences shifted it to favor one alternative or the other. The effect of a changeover delay was reflected in one parameter, the asymptote, whereas the effect of a difference in overall rate of food delivery was reflected in the other parameter, rate of approach to the asymptote. The model takes choice as a primary dependent variable, not derived by comparison between alternatives-an approach that agrees with the molar view of behaviour.

  20. Dynamical modeling of tidal streams

    International Nuclear Information System (INIS)

    Bovy, Jo

    2014-01-01

    I present a new framework for modeling the dynamics of tidal streams. The framework consists of simple models for the initial action-angle distribution of tidal debris, which can be straightforwardly evolved forward in time. Taking advantage of the essentially one-dimensional nature of tidal streams, the transformation to position-velocity coordinates can be linearized and interpolated near a small number of points along the stream, thus allowing for efficient computations of a stream's properties in observable quantities. I illustrate how to calculate the stream's average location (its 'track') in different coordinate systems, how to quickly estimate the dispersion around its track, and how to draw mock stream data. As a generative model, this framework allows one to compute the full probability distribution function and marginalize over or condition it on certain phase-space dimensions as well as convolve it with observational uncertainties. This will be instrumental in proper data analysis of stream data. In addition to providing a computationally efficient practical tool for modeling the dynamics of tidal streams, the action-angle nature of the framework helps elucidate how the observed width of the stream relates to the velocity dispersion or mass of the progenitor, and how the progenitors of 'orphan' streams could be located. The practical usefulness of the proposed framework crucially depends on the ability to calculate action-angle variables for any orbit in any gravitational potential. A novel method for calculating actions, frequencies, and angles in any static potential using a single orbit integration is described in the Appendix.

  1. Size dependence of energy storage and dissipation in a discrete dislocation plasticity analysis of static friction

    NARCIS (Netherlands)

    Deshpande, VS; Needleman, A; Van der Giessen, E; Deshpande, V.S.

    2005-01-01

    The initiation of frictional sliding between a flat-bottomed indenter and a planar single crystal substrate is analyzed using discrete dislocation plasticity. Plastic deformation is modeled through the motion of edge dislocations in an elastic solid with the lattice resistance to dislocation motion,

  2. A multi scale model for small scale plasticity

    International Nuclear Information System (INIS)

    Zbib, Hussein M.

    2002-01-01

    Full text.A framework for investigating size-dependent small-scale plasticity phenomena and related material instabilities at various length scales ranging from the nano-microscale to the mesoscale is presented. The model is based on fundamental physical laws that govern dislocation motion and their interaction with various defects and interfaces. Particularly, a multi-scale model is developed merging two scales, the nano-microscale where plasticity is determined by explicit three-dimensional dislocation dynamics analysis providing the material length-scale, and the continuum scale where energy transport is based on basic continuum mechanics laws. The result is a hybrid simulation model coupling discrete dislocation dynamics with finite element analyses. With this hybrid approach, one can address complex size-dependent problems, including dislocation boundaries, dislocations in heterogeneous structures, dislocation interaction with interfaces and associated shape changes and lattice rotations, as well as deformation in nano-structured materials, localized deformation and shear band

  3. Metal viscoplasticity with two-temperature thermodynamics and two dislocation densities

    Science.gov (United States)

    Roy Chowdhury, Shubhankar; Kar, Gurudas; Roy, Debasish; Reddy, J. N.

    2018-03-01

    Posed within the two-temperature theory of non-equilibrium thermodynamics, we propose a model for thermoviscoplastic deformation in metals. We incorporate the dynamics of dislocation densities-mobile and forest—that play the role of internal state variables in the formulation. The description based on two temperatures appears naturally when one recognizes that the thermodynamic system undergoing viscoplastic deformation is composed of two weakly interacting subsystems, viz. a kinetic-vibrational subsystem of the vibrating atomic lattices and a configurational subsystem of the slower degrees of freedom relating to defect motion, each with its own temperature. Starting with a basic model that involves only homogeneous deformation, a three-dimensional model for inhomogeneous viscoplasticity applicable to finite deformation is charted out in an overstress driven viscoplastic deformation framework. The model shows how the coupled evolutions of mobile and forest dislocation densities, which are critically influenced by the dynamics of configurational temperature, govern the strength and ductility of the metal. Unlike most contemporary models, the current proposal also affords a prediction of certain finer details as observed in the experimental data on stress-strain behaviour of metals and this in turn enhances the understanding of the evolving and interacting dislocation densities.

  4. Stability and mobility of defect clusters and dislocation loops in metals

    DEFF Research Database (Denmark)

    Osetsky, Y.N.; Bacon, D.J.; Serra, A.

    2000-01-01

    has been observed in the computer simulation of small vacancy loops in alpha-Fe. In the present paper we summarise results obtained by molecular dynamics simulations of defect clusters and small dislocation loops in alpha-Fe(bcc) and Cu(fcc). The structure and stability of vacancy and interstitial......According to the production bias model, glissile defect clusters and small dislocation loops play an important role in the microstructural evolution during irradiation under cascade damage conditions. The atomic scale computer simulations carried out in recent years have clarified many questions...... loops are reviewed, and the dynamics of glissile clusters assessed. The relevance and importance of these results in establishing a better understanding of the observed differences in the damage accumulation behaviour between bcc and fee metals irradiated under cascade damage conditions are pointed out...

  5. Emission of partial dislocations from triple junctions of grain boundaries in nanocrystalline materials

    International Nuclear Information System (INIS)

    Gutkin, M Yu; Ovid'ko, I A; Skiba, N V

    2005-01-01

    A theoretical model is suggested that describes emission of partial Shockley dislocations from triple junctions of grain boundaries (GBs) in deformed nanocrystalline materials. In the framework of the model, triple junctions accumulate dislocations due to GB sliding along adjacent GBs. The dislocation accumulation at triple junctions causes partial Shockley dislocations to be emitted from the dislocated triple junctions and thus accommodates GB sliding. Ranges of parameters (applied stress, grain size, etc) are calculated in which the emission events are energetically favourable in nanocrystalline Al, Cu and Ni. The model accounts for the corresponding experimental data reported in the literature

  6. Atomistic simulation of the influence of Cr on the mobility of the edge dislocation in Fe(Cr) alloys

    International Nuclear Information System (INIS)

    Hafez Haghighat, S.M.; Terentyev, D.; Schaeublin, R.

    2011-01-01

    In this work Fe-Cr compounds, as model alloys for the ferritic base steels that are considered as main candidates for the structural materials of the future fusion reactors, are studied using molecular dynamics simulations. The Cr or so-called α' precipitates, which are obstacles to dislocations, affect mechanical properties, leading to hardening and loss of ductility. The flow stress to move an edge dislocation in a Cr solid solution in pure Fe is studied as a function of Cr content. The strength of a nanometric Cr precipitate as obstacle to an edge dislocation in pure Fe is investigated as a function of its Cr content. Results show that with increasing Cr content the precipitate obstacle strength increases, with a strong sensitivity to the local atomic order. Temperature induces a monotonic decrease of the flow stress of the Cr solid solution and of the Cr precipitate obstacle strength.

  7. Influence of strain on dislocation core in silicon

    Science.gov (United States)

    Pizzagalli, L.; Godet, J.; Brochard, S.

    2018-05-01

    First principles, density functional-based tight binding and semi-empirical interatomic potentials calculations are performed to analyse the influence of large strains on the structure and stability of a 60? dislocation in silicon. Such strains typically arise during the mechanical testing of nanostructures like nanopillars or nanoparticles. We focus on bi-axial strains in the plane normal to the dislocation line. Our calculations surprisingly reveal that the dislocation core structure largely depends on the applied strain, for strain levels of about 5%. In the particular case of bi-axial compression, the transformation of the dislocation to a locally disordered configuration occurs for similar strain magnitudes. The formation of an opening, however, requires larger strains, of about 7.5%. Furthermore, our results suggest that electronic structure methods should be favoured to model dislocation cores in case of large strains whenever possible.

  8. System Dynamics Modelling for a Balanced Scorecard

    DEFF Research Database (Denmark)

    Nielsen, Steen; Nielsen, Erland Hejn

    2008-01-01

    /methodology/approach - We use a case study model to develop time or dynamic dimensions by using a System Dynamics modelling (SDM) approach. The model includes five perspectives and a number of financial and non-financial measures. All indicators are defined and related to a coherent number of different cause...... have a major influence on other indicators and profit and may be impossible to predict without using a dynamic model. Practical implications - The model may be used as the first step in quantifying the cause-and-effect relationships of an integrated BSC model. Using the System Dynamics model provides......Purpose - To construct a dynamic model/framework inspired by a case study based on an international company. As described by the theory, one of the main difficulties of BSC is to foresee the time lag dimension of different types of indicators and their combined dynamic effects. Design...

  9. Atomistic simulations of the formation of -component dislocation loops in α-zirconium

    Energy Technology Data Exchange (ETDEWEB)

    Dai, Cong, E-mail: dai.cong@queensu.ca; Balogh, Levente; Yao, Zhongwen; Daymond, Mark R., E-mail: mark.daymond@queensu.ca

    2016-09-15

    The formation of -component dislocation loops in α-Zr is believed to be responsible for the breakaway irradiation growth experimentally observed under high irradiation fluences. However, while -loop growth is well described by existing models, the atomic mechanisms responsible for the nucleation of -component dislocation loops are still not clear. In the present work, both interstitial and vacancy -type dislocation loops are initially equilibrated at different temperatures. Cascades simulations in the vicinity of the -type loops are then performed by selecting an atom as the primary knock-on atoms (PKAs) with different kinetic energies, using molecular dynamics simulations. No -component dislocation loop was formed in cascades simulations with a 10 keV PKA, but -component interstitial loops were observed after the interaction between discontinuous 50 keV PKAs and pre-existing -type interstitial loops. The comparisons of cascades simulations in volumes having pre-existing -type interstitial and vacancy loops suggest that the reaction between the PKAs and -type interstitial loops is responsible for the formation of -component interstitial loops.

  10. Calculations of the electron-damping force on moving-edge dislocations

    International Nuclear Information System (INIS)

    Mohri, T.

    1982-11-01

    Dynamic effect of a moving dislocation has been recognized as one of essential features of deformation behavior at very low temperatures. Damping mechanisms are the central problems in this field. Based on the free-electron-gas model, the electron-damping force (friction force) on a moving-edge dislocation in a normal state is estimated. By applying classical MacKenzie-Sondheimer's procedures, the electrical resistivity caused by a moving dislocation is first estimated, and the damping force is calculated as a Joule-heat-energy dissipation. The calculated values are 3.63x10 - 6 , 7.62x10 - 7 and 1.00x10 - 6 [dyn sec/cm - 2 ] for Al, Cu and Pb, respectively. These values show fairly good agreements as compared with experimental results. Also, numerical calculations are carried out to estimate magnetic effects caused by a moving dislocation. The results are negative and any magnetic effects are not expected. In order to treat deformation behavior at very low temperatures, a unification of three important deformation problems is attempted and a fundamental equation is derived

  11. Review of various dynamic modeling methods and development of an intuitive modeling method for dynamic systems

    International Nuclear Information System (INIS)

    Shin, Seung Ki; Seong, Poong Hyun

    2008-01-01

    Conventional static reliability analysis methods are inadequate for modeling dynamic interactions between components of a system. Various techniques such as dynamic fault tree, dynamic Bayesian networks, and dynamic reliability block diagrams have been proposed for modeling dynamic systems based on improvement of the conventional modeling methods. In this paper, we review these methods briefly and introduce dynamic nodes to the existing Reliability Graph with General Gates (RGGG) as an intuitive modeling method to model dynamic systems. For a quantitative analysis, we use a discrete-time method to convert an RGGG to an equivalent Bayesian network and develop a software tool for generation of probability tables

  12. Nature of Dislocations in Silicon

    DEFF Research Database (Denmark)

    Hansen, Lars Bruno; Stokbro, Kurt; Lundqvist, Bengt

    1995-01-01

    Interaction between two partial 90 degrees edge dislocations is studied with atomic-scale simulations using the effective-medium tight-binding method. A large separation between the two dislocations (up to 30 Angstrom), comparable to experimental values, is achieved with a solution of the tight-b...

  13. Traumatic hip dislocations in children

    International Nuclear Information System (INIS)

    Minhas, M.S.

    2010-01-01

    Objectives: To evaluate clinical features, treatment and relationship to the time period between dislocation, reduction and early complications of traumatic dislocation of hip in children. Methods: Case series conducted at Jinnah Post Graduate Medical Centre Karachi from July 2005 to August 2009. Children with traumatic hip dislocation up to fifteen years of age who presented in last four years were included in this study. Their clinical information, etiology, associated injuries, duration, method of reduction and early complications are evaluated through emergency room proforma and indoor record. Follow up of patient was updated in outpatient department. Results: We had eight patients, six boys and two girls. Youngest 2.4 years and eldest was 12 years with mean age of 6.2 +- 3.8 years. All presented with posterior hip dislocation. Etiology was road traffic accident in two and history of fall in remaining six patients. Average duration of time between dislocation and reduction was 19 hours range 3-72 hours. Dislocated hips were reduced under General Anaesthesia in two patients and under sedation analgesia in six patients. No complications were noted in eight cases with mean 18.75 +- 13.23 months follows up. Conclusion: Traumatic hip dislocation in children is not rare. Slight trauma causes dislocation in younger age and immediate closed reduction and Immobilization reduces complications. (author

  14. Characterizing and modeling citation dynamics.

    Directory of Open Access Journals (Sweden)

    Young-Ho Eom

    Full Text Available Citation distributions are crucial for the analysis and modeling of the activity of scientists. We investigated bibliometric data of papers published in journals of the American Physical Society, searching for the type of function which best describes the observed citation distributions. We used the goodness of fit with Kolmogorov-Smirnov statistics for three classes of functions: log-normal, simple power law and shifted power law. The shifted power law turns out to be the most reliable hypothesis for all citation networks we derived, which correspond to different time spans. We find that citation dynamics is characterized by bursts, usually occurring within a few years since publication of a paper, and the burst size spans several orders of magnitude. We also investigated the microscopic mechanisms for the evolution of citation networks, by proposing a linear preferential attachment with time dependent initial attractiveness. The model successfully reproduces the empirical citation distributions and accounts for the presence of citation bursts as well.

  15. Dislocation Interactions in Olivine Revealed by HR-EBSD

    Science.gov (United States)

    Wallis, David; Hansen, Lars N.; Britton, T. Ben; Wilkinson, Angus J.

    2017-10-01

    Interactions between dislocations potentially provide a control on strain rates produced by dislocation motion during creep of rocks at high temperatures. However, it has been difficult to establish the dominant types of interactions and their influence on the rheological properties of creeping rocks due to a lack of suitable observational techniques. We apply high-angular resolution electron backscatter diffraction to map geometrically necessary dislocation (GND) density, elastic strain, and residual stress in experimentally deformed single crystals of olivine. Short-range interactions are revealed by cross correlation of GND density maps. Spatial correlations between dislocation types indicate that noncollinear interactions may impede motion of proximal dislocations at temperatures of 1000°C and 1200°C. Long-range interactions are revealed by autocorrelation of GND density maps. These analyses reveal periodic variations in GND density and sign, with characteristic length scales on the order of 1-10 μm. These structures are spatially associated with variations in elastic strain and residual stress on the order of 10-3 and 100 MPa, respectively. Therefore, short-range interactions generate local accumulations of dislocations, leading to heterogeneous internal stress fields that influence dislocation motion over longer length scales. The impacts of these short- and/or long-range interactions on dislocation velocities may therefore influence the strain rate of the bulk material and are an important consideration for future models of dislocation-mediated deformation mechanisms in olivine. Establishing the types and impacts of dislocation interactions that occur across a range of laboratory and natural deformation conditions will help to establish the reliability of extrapolating laboratory-derived flow laws to real Earth conditions.

  16. Supply based on demand dynamical model

    Science.gov (United States)

    Levi, Asaf; Sabuco, Juan; Sanjuán, Miguel A. F.

    2018-04-01

    We propose and numerically analyze a simple dynamical model that describes the firm behaviors under uncertainty of demand. Iterating this simple model and varying some parameter values, we observe a wide variety of market dynamics such as equilibria, periodic, and chaotic behaviors. Interestingly, the model is also able to reproduce market collapses.

  17. Opinion dynamics model based on quantum formalism

    Energy Technology Data Exchange (ETDEWEB)

    Artawan, I. Nengah, E-mail: nengahartawan@gmail.com [Theoretical Physics Division, Department of Physics, Udayana University (Indonesia); Trisnawati, N. L. P., E-mail: nlptrisnawati@gmail.com [Biophysics, Department of Physics, Udayana University (Indonesia)

    2016-03-11

    Opinion dynamics model based on quantum formalism is proposed. The core of the quantum formalism is on the half spin dynamics system. In this research the implicit time evolution operators are derived. The analogy between the model with Deffuant dan Sznajd models is discussed.

  18. Influence of the dislocation core on the glide of the 1/2 < 111 >{110} edge dislocation in bcc-iron: An embedded atom method study

    Czech Academy of Sciences Publication Activity Database

    Haghighat, S.M.H.; von Pezold, J.; Race, C. P.; Kormann, F.; Friák, Martin; Neugebauer, J.; Raabe, D.

    2014-01-01

    Roč. 87, MAY (2014), s. 274-282 ISSN 0927-0256 Institutional support: RVO:68081723 Keywords : Molecular dynamics * Edge dislocation * Core structure * Dislocation glide * Iron Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 2.131, year: 2014

  19. 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

  20. Mechanisms of dynamic deformation and dynamic failure in aluminum nitride

    International Nuclear Information System (INIS)

    Hu Guangli; Chen, C.Q.; Ramesh, K.T.; McCauley, J.W.

    2012-01-01

    Uniaxial quasi-static, uniaxial dynamic and confined dynamic compression experiments have been performed to characterize the failure and deformation mechanisms of a sintered polycrystalline aluminum nitride using a servohydraulic machine and a modified Kolsky bar. Scanning electron microscopy and transmission electron microscopy (TEM) are used to identify the fracture and deformation mechanisms under high rate and high pressure loading conditions. These results show that the fracture mechanisms are strong functions of confining stress and strain rate, with transgranular fracture becoming more common at high strain rates. Dynamic fracture mechanics and micromechanical models are used to analyze the observed fracture mechanisms. TEM characterization of fragments from the confined dynamic experiments shows that at higher pressures dislocation motion becomes a common dominant deformation mechanism in AlN. Prismatic slip is dominant, and pronounced microcrack–dislocation interactions are observed, suggesting that the dislocation plasticity affects the macroscopic fracture behavior in this material under high confining stresses.

  1. Energetics of dislocation transformations in hcp metals

    International Nuclear Information System (INIS)

    Wu, Zhaoxuan; Yin, Binglun; Curtin, W.A.

    2016-01-01

    Dislocation core structures of hcp metals are highly complex and differ significantly among the hcp family. Some dislocations undergo unconventional transformations that have significant effects on the material plastic flow. Here, the energetics of dislocation dissociations are analyzed in a general anisotropic linear elastic theory framework for transformations in which changes in the partial Burgers vectors are small. Quantitative analyses on various transformations are made using DFT-computed stacking fault energies and partial Burgers vectors. Specifically, possible transformations of the mixed, edge, and screw 〈c+a〉 and screw 〈a〉 dislocations in 6 hcp metals (Mg, Ti, Zr, Re, Zn, Cd) are studied. Climb dissociation of mixed or edge 〈c+a〉 dislocations to the Basal plane is energetically favorable in all 6 metals and thus only limited by thermal activation. The 〈c+a〉 screw dislocation is energetically preferable on Pyramidal I for Ti, Zr, and Re, and on Pyramidal II for Zn and Cd. In Mg, the energy difference between screw 〈c+a〉 on Pyramidal I and II planes is small, suggesting relatively easy cross-slip. For the screw 〈a〉, Basal dissociation is energetically favorable in Mg, Re, Zn and Cd, while Prism dissociation is strongly favorable in Ti and Zr. Only Ti, Zr and Re show a metastable state for dissociation on the Prism plane, and the energy difference between screw 〈a〉 on the Prism and Pyramidal I planes is relatively small in all systems, suggesting relatively easy cross-slip of 〈a〉 in Ti and Zr. The elastic analysis thus provides a single framework able to capture the controlling energetics for different dissociations and slip systems in hcp metals. When the calculated energy differences are very small, the results point to the need for detailed modeling of the atomistic core structure. Moreover, the analyses rationalize broad experimental observations on dominant slip systems and dislocation behaviours, and provide

  2. Electron holography studies of the charge on dislocations in GaN

    Energy Technology Data Exchange (ETDEWEB)

    Cherns, D.; Jiao, C.G.; Mokhtari, H. [H.H. Wills Physics Laboratory, University of Bristol, Tyndall Avenue, Bristol BS8 1TL (United Kingdom); Cai, J.; Ponce, F.A. [Department of Physics and Astronomy, Arizona State University, Tempe, AZ85287 (United States)

    2002-12-01

    The measurement of charge on dislocations in GaN by electron holography is described. Recent results are presented showing that edge dislocations in n-doped GaN are highly negatively charged, whereas those in p-doped GaN are positively charged. It is shown that the results are consistent with a model which assumes Fermi level pinning at dislocation states about 2.5 V below the conduction band edge. The application of electron holography to screw dislocations, and the dependence of the observations on the dislocation core structure, are also discussed. (Abstract Copyright [2002], Wiley Periodicals, Inc.)

  3. Positron-trapping mechanism at dislocations in Zn

    DEFF Research Database (Denmark)

    Hidalgo, Carlos; Linderoth, Søren; Diego, Nieves de

    1987-01-01

    the average lifetime and the intensity of the long component decrease with increasing temperature. The experimental results are very well described in terms of a generalized trapping model where it is assumed that positrons become trapped in deep traps (jogs) via shallow traps (dislocation lines......). The temperature dependence of the positron-lifetime spectra below 120 K is attributed to the temperature dependence of the trapping rate to the dislocation line. The experimental results have demonstrated that detrapping processes from the dislocation line take place above 120 K. The positron binding energy...

  4. Ubiquity of quantum zero-point fluctuations in dislocation glide

    Science.gov (United States)

    Landeiro Dos Reis, Marie; Choudhury, Anshuman; Proville, Laurent

    2017-03-01

    Modeling the dislocation glide through atomic scale simulations in Al, Cu, and Ni and in solid solution alloys Al(Mg) and Cu(Ag), we show that in the course of the plastic deformation the variation of the crystal zero-point energy (ZPE) and the dislocation potential energy barriers are of opposite sign. The multiplicity of situations where we have observed the same trend allows us to conclude that quantum fluctuations, giving rise to the crystal ZPE, make easier the dislocation glide in most materials, even those constituted of atoms heavier than H and He.

  5. Determining dislocation densities from the extinction effect (review)

    International Nuclear Information System (INIS)

    Ivanov, A.N.; Polyakov, A.M.; Skakov, Yu.A.

    1987-01-01

    Much attention is being given to dynamic x-ray scattering in crystals containing defects. As general diffraction theory for crystals with defects does not at present extend beyond formal expressions and there is no rigorous theory of diffraction by crystals containing dislocations, one describes extinction in a nonideal crystal via phenomenological theories. In this paper, the authors review the various methods of analyzing the dislocation structure from the integral intensities which are based on three extinction models: Darwin's extinction theory; mosaic-crystal scattering theory; and the transport equations method proposed by Stephan for Bragg geometry and Laue geometry. The most rigorous method in a theoretical respect of those covered in this review is based on Kato's extinction theory. The authors consider it necessary to devise a general theory of x-ray scattering for crystals with any type of long-range order in the displacement pattern, although this paper has dealt with some of the applications of quantum mechanics and statistical physics in describing diffraction

  6. Dynamic modelling of nuclear steam generators

    International Nuclear Information System (INIS)

    Kerlin, T.W.; Katz, E.M.; Freels, J.; Thakkar, J.

    1980-01-01

    Moving boundary, nodal models with dynamic energy balances, dynamic mass balances, quasi-static momentum balances, and an equivalent single channel approach have been developed for steam generators used in nuclear power plants. The model for the U-tube recirculation type steam generator is described and comparisons are made of responses from models of different complexity; non-linear versus linear, high-order versus low order, detailed modeling of the control system versus a simple control assumption. The results of dynamic tests on nuclear power systems show that when this steam generator model is included in a system simulation there is good agreement with actual plant performance. (author)

  7. Dynamic Airspace Managment - Models and Algorithms

    OpenAIRE

    Cheng, Peng; Geng, Rui

    2010-01-01

    This chapter investigates the models and algorithms for implementing the concept of Dynamic Airspace Management. Three models are discussed. First two models are about how to use or adjust air route dynamically in order to speed up air traffic flow and reduce delay. The third model gives a way to dynamically generate the optimal sector configuration for an air traffic control center to both balance the controller’s workload and save control resources. The first model, called the Dynami...

  8. Wind Farm Decentralized Dynamic Modeling With Parameters

    DEFF Research Database (Denmark)

    Soltani, Mohsen; Shakeri, Sayyed Mojtaba; Grunnet, Jacob Deleuran

    2010-01-01

    Development of dynamic wind flow models for wind farms is part of the research in European research FP7 project AEOLUS. The objective of this report is to provide decentralized dynamic wind flow models with parameters. The report presents a structure for decentralized flow models with inputs from...... local models. The results of this report are especially useful, but not limited, to design a decentralized wind farm controller, since in centralized controller design one can also use the model and update it in a central computing node.......Development of dynamic wind flow models for wind farms is part of the research in European research FP7 project AEOLUS. The objective of this report is to provide decentralized dynamic wind flow models with parameters. The report presents a structure for decentralized flow models with inputs from...

  9. System dynamics modelling of situation awareness

    CSIR Research Space (South Africa)

    Oosthuizen, R

    2015-11-01

    Full Text Available . The feedback loops and delays in the Command and Control system also contribute to the complex dynamic behavior. This paper will build on existing situation awareness models to develop a System Dynamics model to support a qualitative investigation through...

  10. Simulation of X-ray diffraction-line broadening due to dislocations in a model composite material

    NARCIS (Netherlands)

    Bor, Teunis Cornelis; Cleveringa, H.H.M.; Delhez, R; van der Giessen, E.

    2001-01-01

    X-ray diffraction-line profiles of two-dimensional, plastically deformed model composite materials are calculated and analysed in detail. The composite consists of elastic reinforcements in a crystalline solid and is subjected to macroscopic shear. Slip occurs in the matrix only due to the

  11. An Agent Model Integrating an Adaptive Model for Environmental Dynamics

    NARCIS (Netherlands)

    Treur, J.; Umair, M.

    2011-01-01

    The environments in which agents are used often may be described by dynamical models, e.g., in the form of a set of differential equations. In this paper, an agent model is proposed that can perform model-based reasoning about the environment, based on a numerical (dynamical system) model of the

  12. Hydration dynamics near a model protein surface

    International Nuclear Information System (INIS)

    Russo, Daniela; Hura, Greg; Head-Gordon, Teresa

    2003-01-01

    The evolution of water dynamics from dilute to very high concentration solutions of a prototypical hydrophobic amino acid with its polar backbone, N-acetyl-leucine-methylamide (NALMA), is studied by quasi-elastic neutron scattering and molecular dynamics simulation for both the completely deuterated and completely hydrogenated leucine monomer. We observe several unexpected features in the dynamics of these biological solutions under ambient conditions. The NALMA dynamics shows evidence of de Gennes narrowing, an indication of coherent long timescale structural relaxation dynamics. The translational water dynamics are analyzed in a first approximation with a jump diffusion model. At the highest solute concentrations, the hydration water dynamics is significantly suppressed and characterized by a long residential time and a slow diffusion coefficient. The analysis of the more dilute concentration solutions takes into account the results of the 2.0M solution as a model of the first hydration shell. Subtracting the first hydration layer based on the 2.0M spectra, the translational diffusion dynamics is still suppressed, although the rotational relaxation time and residential time are converged to bulk-water values. Molecular dynamics analysis shows spatially heterogeneous dynamics at high concentration that becomes homogeneous at more dilute concentrations. We discuss the hydration dynamics results of this model protein system in the context of glassy systems, protein function, and protein-protein interfaces

  13. Contribution to the study of screw dislocations; Contribution a l'etude des dislocations helicoidales

    Energy Technology Data Exchange (ETDEWEB)

    Grilhe, J [Commissariat a l' Energie Atomique, Fontenay aux Roses (France). Centre d' Etudes Nucleaires

    1965-03-01

    The aim of this work is to study the germination, growth and properties of screw dislocations. In the introduction (first chapter), we describe briefly the main experimental results obtained by various authors (observations of screws by Amelinckx and Bontinck in ionic crystals, by Dash in silicon crystals and by Thomas and Whelan in aluminium based alloys). We then make a few considerations concerning characteristic geometry of screws and the various methods used for calculating the energy of a dislocation. In the second chapter we study the problems involving only slip of the screw around its cylinder. We calculate the equilibrium step as a function of the forces acting on the extremities. We determine the critical stress required to disrupt the screw and study the interactions between the screw and other dislocations of the lattice. In the third chapter we consider the problem of the stability when the dislocation can climb by absorption or emission of vacancies. We study separately the stability of the size which only involves volume diffusion and the stability of the shape which depends only on the rearrangement of the vacancies along the dislocation. In chapter four we put forward a germination model for the screws: since the vacancies are not absorbed by the screw dislocations, they form clusters which take up a spiral form. The formation of these spirals is studied from the geometrical point of view in face-centered cubic systems. In chapter five we make use of the results obtained in chapters two and three for studying the growth of the spirals. (author) [French] Le but de ce travail est d'etudier la germination, la croissance et les proprietes des dislocations helico ales. Dans l'introduction (premier chapitre), nous exposons brievement les principaux resultats experimentaux obtenus par differents auteurs (observations d'helice par Amelinckx et Bontinck dans les cristaux ioniques, par Dash dans des cristaux de silicium et par Thomas et Whelan dans des

  14. Length-scale dependent mechanical properties of Al-Cu eutectic alloy: Molecular dynamics based model and its experimental verification

    Science.gov (United States)

    Tiwary, C. S.; Chakraborty, S.; Mahapatra, D. R.; Chattopadhyay, K.

    2014-05-01

    This paper attempts to gain an understanding of the effect of lamellar length scale on the mechanical properties of two-phase metal-intermetallic eutectic structure. We first develop a molecular dynamics model for the in-situ grown eutectic interface followed by a model of deformation of Al-Al2Cu lamellar eutectic. Leveraging the insights obtained from the simulation on the behaviour of dislocations at different length scales of the eutectic, we present and explain the experimental results on Al-Al2Cu eutectic with various different lamellar spacing. The physics behind the mechanism is further quantified with help of atomic level energy model for different length scale as well as different strain. An atomic level energy partitioning of the lamellae and the interface regions reveals that the energy of the lamellae core are accumulated more due to dislocations irrespective of the length-scale. Whereas the energy of the interface is accumulated more due to dislocations when the length-scale is smaller, but the trend is reversed when the length-scale is large beyond a critical size of about 80 nm.

  15. Contribution of dislocation creep to the radiational creep of materials

    International Nuclear Information System (INIS)

    Borodin, V.A.; Ryazanov, A.I.

    1986-01-01

    The authors propose a model of the orientational dependences of the preferences of discrete linear dislocations in which the influence of the external load on the step concentration at the dislocations is taken into account. The use of this model, taking into account the mechanism of stress-induced anisotropy of the elastic interaction between point defects and dislocations, not only permits a correct qualitative explanation of the dependence of the rate of radiational creep on the basic irradiation parameters (dose, stress, temperature) but also allows approximate quantitative agreement with experimental results to be obtained. At sufficiently high stress, the theory predicts conditions of the formation of an ensemble of dislocational loops with a specific direction of the Burgers vector

  16. Forecasting house prices in the 50 states using Dynamic Model Averaging and Dynamic Model Selection

    DEFF Research Database (Denmark)

    Bork, Lasse; Møller, Stig Vinther

    2015-01-01

    We examine house price forecastability across the 50 states using Dynamic Model Averaging and Dynamic Model Selection, which allow for model change and parameter shifts. By allowing the entire forecasting model to change over time and across locations, the forecasting accuracy improves substantia......We examine house price forecastability across the 50 states using Dynamic Model Averaging and Dynamic Model Selection, which allow for model change and parameter shifts. By allowing the entire forecasting model to change over time and across locations, the forecasting accuracy improves...

  17. Transmission electron microscopy in situ investigation of dislocation mobility in semiconductors

    CERN Document Server

    Vanderschaeve, G; Insa, P D T; Caillard, D

    2000-01-01

    TEM in situ straining experiments provide a unique way to investigate in real time the behaviour of individual dislocations under applied stress. The results obtained on a variety of semiconductors are presented: numerous dislocation sources are observed which makes it possible to measure the dislocation velocity as a function of different physical parameters (local shear stress, temperature, dislocation character, length of the moving dislocation, ...). The experimental results are consistent with a dislocation glide governed by the Peierls mechanism, even for II-VI compounds which have a significant degree of ionic character. For compounds, a linear dependence of the dislocation velocity on the length of the moving segment is noticed, whereas for elemental semiconductors a transition between a length-dependent and a length-independent velocity regime is observed. Analysed in the framework of the kink diffusion model (Hirth and Lothe theory), these results allow an estimation of the kink formation and migrat...

  18. Adaptive numerical modeling of dynamic crack propagation

    International Nuclear Information System (INIS)

    Adouani, H.; Tie, B.; Berdin, C.; Aubry, D.

    2006-01-01

    We propose an adaptive numerical strategy that aims at developing reliable and efficient numerical tools to model dynamic crack propagation and crack arrest. We use the cohesive zone theory as behavior of interface-type elements to model crack. Since the crack path is generally unknown beforehand, adaptive meshing is proposed to model the dynamic crack propagation. The dynamic study requires the development of specific solvers for time integration. As both geometry and finite element mesh of the studied structure evolve in time during transient analysis, the stability behavior of dynamic solver becomes a major concern. For this purpose, we use the space-time discontinuous Galerkin finite element method, well-known to provide a natural framework to manage meshes that evolve in time. As an important result, we prove that the space-time discontinuous Galerkin solver is unconditionally stable, when the dynamic crack propagation is modeled by the cohesive zone theory, which is highly non-linear. (authors)

  19. Neglected locked vertical patellar dislocation

    Science.gov (United States)

    Gupta, Rakesh Kumar; Gupta, Vinay; Sangwan, Sukhbir Singh; Kamboj, Pradeep

    2012-01-01

    Patellar dislocations occurring about the vertical and horizontal axis are rare and irreducible. The neglected patellar dislocation is still rarer. We describe the clinical presentation and management of a case of neglected vertical patellar dislocation in a 6 year-old boy who sustained an external rotational strain with a laterally directed force to his knee. Initially the diagnosis was missed and 2 months later open reduction was done. The increased tension generated by the rotation of the lateral extensor retinaculum kept the patella locked in the lateral gutter even with the knee in full extension. Traumatic patellar dislocation with rotation around a vertical axis has been described earlier, but no such neglected case has been reported to the best of our knowledge. PMID:23162154

  20. Neglected locked vertical patellar dislocation

    Directory of Open Access Journals (Sweden)

    Rakesh Kumar Gupta

    2012-01-01

    Full Text Available Patellar dislocations occurring about the vertical and horizontal axis are rare and irreducible. The neglected patellar dislocation is still rarer. We describe the clinical presentation and management of a case of neglected vertical patellar dislocation in a 6 year-old boy who sustained an external rotational strain with a laterally directed force to his knee. Initially the diagnosis was missed and 2 months later open reduction was done. The increased tension generated by the rotation of the lateral extensor retinaculum kept the patella locked in the lateral gutter even with the knee in full extension. Traumatic patellar dislocation with rotation around a vertical axis has been described earlier, but no such neglected case has been reported to the best of our knowledge.

  1. Dislocation structure evolution and characterization in the compression deformed Mn-Cu alloy

    International Nuclear Information System (INIS)

    Zhong, Y.; Yin, F.; Sakaguchi, T.; Nagai, K.; Yang, K.

    2007-01-01

    Dislocation densities and dislocation structure arrangements in cold compressed polycrystalline commercial M2052 (Mn-20Cu-5Ni-2Fe) high damping alloy with various strains were determined in scanning mode by X-ray peak profile analysis and electron backscatter diffraction (EBSD). The results indicate that the Mn-Cu-Ni-Fe alloy has an evolution behavior quite similar to the dislocation structure in copper. The dislocation arrangement parameter shows a local minimum in the transition range between stages III and IV that can be related to the transformation of the dislocation arrangement in the cell walls from a polarized dipole wall (PDW) into a polarized tile wall (PTW) structure. This evolution is further confirmed by the results of local misorientation determined by EBSD. In addition, during deformation, the multiplication of dislocation densities in the MnCu alloy is significantly slower than that in copper, and the transition of the dislocation structure is strongly retarded in the MnCu alloy compared with copper. These results can be explained by the mechanism of elastic anisotropy on the dislocation dynamics, as the elastic anisotropy in the MnCu alloy is larger than that in copper, which can strongly retard the multiplication of the dislocation population and the transformation of the dislocation structure. These results are important for research into the plastic working behavior of Mn-Cu-Ni-Fe high damping alloy

  2. Modeling Gas Dynamics in California Sea Lions

    Science.gov (United States)

    2015-09-30

    W. and Fahlman, A. (2009). Could beaked whales get the bends?. Effect of diving behaviour and physiology on modelled gas exchange for three species...1 DISTRIBUTION STATEMENT A. Approved for public release; distribution is unlimited. Modeling Gas Dynamics in California Sea Lions Andreas...to update a current gas dynamics model with recently acquired data for respiratory compliance (P-V), and body compartment size estimates in

  3. A Dynamic Model of Sustainment Investment

    Science.gov (United States)

    2015-02-01

    Sustainment System Dynamics Model 11 Figure 7: Core Structure of Sustainment Work 12 Figure 8: Bandwagon Effect Loop 13 Figure 9: Limits to Growth Loop 14...Dynamics Model sustainment capacity sustainment performance gap Bandwagon Effect R1 Limits to Growth B1 S Work Smarter B3 Work Bigger B2 desired...which is of concern primarily when using the model as a vehicle for research. Figure 8 depicts a reinforcing loop called the “ Bandwagon Effect

  4. Modeling the Dynamic Digestive System Microbiome†

    OpenAIRE

    Estes, Anne M.

    2015-01-01

    Modeling the Dynamic Digestive System Microbiome” is a hands-on activity designed to demonstrate the dynamics of microbiome ecology using dried pasta and beans to model disturbance events in the human digestive system microbiome. This exercise demonstrates how microbiome diversity is influenced by: 1) niche availability and habitat space and 2) a major disturbance event, such as antibiotic use. Students use a pictorial key to examine prepared models of digestive system microbiomes to determi...

  5. Dislocations and vacancies in two-dimensional mixed crystals of spheres and dimers

    KAUST Repository

    Gerbode, Sharon J.; Ong, Desmond C.; Liddell, Chekesha M.; Cohen, Itai

    2010-01-01

    In colloidal crystals of spheres, dislocation motion is unrestricted. On the other hand, recent studies of relaxation in crystals of colloidal dimer particles have demonstrated that the dislocation dynamics in such crystals are reminiscent of glassy systems. The observed glassy dynamics arise as a result of dislocation cages formed by certain dimer orientations. In the current study, we use experiments and simulations to investigate the transition that arises when a pure sphere crystal is doped with an increasing concentration of dimers. Specifically, we focus on both dislocation caging and vacancy motion. Interestingly, we find that any nonzero fraction of dimers introduces finite dislocation cages, suggesting that glassy dynamics are present for any mixed crystal. However, we have also identified a vacancy-mediated uncaging mechanism for releasing dislocations from their cages. This mechanism is dependent on vacancy diffusion, which slows by orders of magnitude as the dimer concentration is increased. We propose that in mixed crystals with low dimer concentrations vacancy diffusion is fast enough to uncage dislocations and delay the onset of glassy dislocation dynamics. © 2010 The American Physical Society.

  6. Dislocations and vacancies in two-dimensional mixed crystals of spheres and dimers

    KAUST Repository

    Gerbode, Sharon J.

    2010-10-15

    In colloidal crystals of spheres, dislocation motion is unrestricted. On the other hand, recent studies of relaxation in crystals of colloidal dimer particles have demonstrated that the dislocation dynamics in such crystals are reminiscent of glassy systems. The observed glassy dynamics arise as a result of dislocation cages formed by certain dimer orientations. In the current study, we use experiments and simulations to investigate the transition that arises when a pure sphere crystal is doped with an increasing concentration of dimers. Specifically, we focus on both dislocation caging and vacancy motion. Interestingly, we find that any nonzero fraction of dimers introduces finite dislocation cages, suggesting that glassy dynamics are present for any mixed crystal. However, we have also identified a vacancy-mediated uncaging mechanism for releasing dislocations from their cages. This mechanism is dependent on vacancy diffusion, which slows by orders of magnitude as the dimer concentration is increased. We propose that in mixed crystals with low dimer concentrations vacancy diffusion is fast enough to uncage dislocations and delay the onset of glassy dislocation dynamics. © 2010 The American Physical Society.

  7. Trans-triquetral Perilunate fracture dislocation

    OpenAIRE

    John-Henry Rhind; Abhinav Gulihar; Andrew Smith

    2018-01-01

    Perilunate dislocations and perilunate fracture dislocations are rare and serious injuries. Perilunate dislocations represent less than 10% of all carpal injuries of which 61% represent transcaphoid fractures. Because of their rarity, up to 25% of perilunate dislocations are initially missed on first assessment. We present the case of a 66-year-old-gentleman who sustained an isolated trans-triquetral perilunate fracture dislocation while walking his dog. This was diagnosed in the emergency de...

  8. HRTEM studies of dislocations in cubic BN

    International Nuclear Information System (INIS)

    Nistor, L.C.; Tendeloo, G. van; Dinca, G.

    2004-01-01

    The atomic structure of dislocations in cubic boron nitride has been investigated by high resolution transmission electron microscopy. Most of the perfect dislocations, screw and 60 edge, are dissociated. A 60 dislocation which was undissociated has been analysed. Computer simulation is performed in an attempt to characterise the core structure. Twinning dislocations and dislocations resulting from the intersection of stacking faults are also revealed. (copyright 2004 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  9. HRTEM studies of dislocations in cubic BN

    Energy Technology Data Exchange (ETDEWEB)

    Nistor, L.C. [National Institute for Materials Physics, P.O. Box MG-7 Magurele, 077125 Bucharest (Romania); Tendeloo, G. van [University of Antwerp, EMAT, Groenenborgerlaan 171, 2020 Antwerp (Belgium); Dinca, G. [Dacia Synthetic Diamond Factory, Timisoara av. 5, P.O. Box 58-52, 077350 Bucharest (Romania)

    2004-09-01

    The atomic structure of dislocations in cubic boron nitride has been investigated by high resolution transmission electron microscopy. Most of the perfect dislocations, screw and 60 edge, are dissociated. A 60 dislocation which was undissociated has been analysed. Computer simulation is performed in an attempt to characterise the core structure. Twinning dislocations and dislocations resulting from the intersection of stacking faults are also revealed. (copyright 2004 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  10. Chirality-controlled crystallization via screw dislocations.

    Science.gov (United States)

    Sung, Baeckkyoung; de la Cotte, Alexis; Grelet, Eric

    2018-04-11

    Chirality plays an important role in science from enantiomeric separation in chemistry to chiral plasmonics in nanotechnology. However, the understanding of chirality amplification from chiral building blocks to ordered helical superstructures remains a challenge. Here, we demonstrate that topological defects, such as screw dislocations, can drive the chirality transfer from particle to supramolecular structure level during the crystallization process. By using a model system of chiral particles, which enables direct imaging of single particle incorporation into growing crystals, we show that the crystallization kinetic pathway is the key parameter for monitoring, via the defects, the chirality amplification of the crystalline structures from racemic to predominantly homohelical. We provide an explanation based on the interplay between geometrical frustration, racemization induced by thermal fluctuations, and particle chirality. Our results demonstrate that screw dislocations not only promote the growth, but also control the chiral morphology and therefore the functionality of crystalline states.

  11. Differential equation models for sharp threshold dynamics.

    Science.gov (United States)

    Schramm, Harrison C; Dimitrov, Nedialko B

    2014-01-01

    We develop an extension to differential equation models of dynamical systems to allow us to analyze probabilistic threshold dynamics that fundamentally and globally change system behavior. We apply our novel modeling approach to two cases of interest: a model of infectious disease modified for malware where a detection event drastically changes dynamics by introducing a new class in competition with the original infection; and the Lanchester model of armed conflict, where the loss of a key capability drastically changes the effectiveness of one of the sides. We derive and demonstrate a step-by-step, repeatable method for applying our novel modeling approach to an arbitrary system, and we compare the resulting differential equations to simulations of the system's random progression. Our work leads to a simple and easily implemented method for analyzing probabilistic threshold dynamics using differential equations. Published by Elsevier Inc.

  12. Core structure, dislocation energy and Peierls stress for 1/3112-bar 0 edge dislocations with (0001) and {11-bar 00} slip planes in α-Zr

    International Nuclear Information System (INIS)

    Voskoboinikov, R.E.; Osetsky, Yu.N.; Bacon, D.J.

    2005-01-01

    Atomic-scale simulations of edge dislocations of the 1/3112-bar 0(0001) and 1/3112-bar 0{11-bar 00} slip systems have been carried out using a Finnis-Sinclair-type interatomic potential for α-zirconium. The distribution of atomic displacements in the dislocation core shows that in this model the edge dislocation in the basal plane dissociates into two Shockley partials whereas the dislocation in the prism plane remains undissociated. The effective core radius and core energy are estimated, and dislocation response to increasing applied shear strain is investigated. The core properties and the critical stress for dislocation glide (Peierls stress) depend sensitively on whether the core extends or not

  13. Interlayer vortices and edge dislocations in high-temperature superconductors

    International Nuclear Information System (INIS)

    Kuklov, A.B.; Krakovsky, A.; Birman, J.L.

    1995-01-01

    The interaction of an edge dislocation made of half the superconducting plane with a magnetic interlayer vortex is considered within the framework of the Lawrence-Doniach model with negative as well as positive Josephson interlayer coupling. In the first case the binding energy of the vortex and the dislocation has been calculated by employing a variational procedure. The current distribution around the bound vortex turns out to be asymmetric. In the second case the dislocation carries a spontaneous magnetic half vortex, whose binding energy with the dislocation turns out to be infinite. The half-vortex energy has been calculated by the same variational procedure. Implications of the possible presence of such half vortices for the properties of high-temperature sueprconductors are discussed. We suggest employing artificially made superconductor-ferromagnet superlattices with the half plane removed to observe fractional vortices

  14. Nonlinear dynamic phenomena in the beer model

    DEFF Research Database (Denmark)

    Mosekilde, Erik; Laugesen, Jakob Lund

    2007-01-01

    The production-distribution system or "beer game" is one of the most well-known system dynamics models. Notorious for the complex dynamics it produces, the beer game has been used for nearly five decades to illustrate how structure generates behavior and to explore human decision making. Here we...

  15. Phone Routing using the Dynamic Memory Model

    DEFF Research Database (Denmark)

    Bendtsen, Claus Nicolaj; Krink, Thiemo

    2002-01-01

    In earlier studies a genetic algorithm (GA) extended with the dynamic memory model has shown remarkable performance on real-world-like problems. In this paper we experiment with routing in communication networks and show that the dynamic memory GA performs remarkable well compared to ant colony...

  16. A two-site mean field model of discontinuous dynamic recrystallization

    International Nuclear Information System (INIS)

    Bernard, P.; Bag, S.; Huang, K.; Loge, R.E.

    2011-01-01

    Highlights: → Discontinuous dynamic recrystallization (DDRX) is modelled at the grain scale. → The two-site mean field approach allows introducing topological information. → DDRX kinetics, flow stress curves and recrystallized grain size are well predicted. → Temperature, strain rate and initial grain size effects are successfully described. → Grain size dependence naturally emerges from the model and agrees with experiment. - Abstract: The paper describes a new model of discontinuous dynamic recrystallization (DDRX) which can operate in constant or variable thermomechanical conditions. The model considers the elementary physical phenomena at the grain scale such as strain hardening, recovery, grain boundary migration, and nucleation. The microstructure is represented through a set of representative grains defined by their size and dislocation density. It is linked to a constitutive law giving access to the polycrystal flow stress. Interaction between representative grains and the surrounding material is idealized using a two-site approach whereby two homogeneous equivalent media with different dislocation densities are considered. Topological information is incorporated into the model by prescribing the relative weight of these two equivalent media as a function of their volume fractions. This procedure allows accounting for the well-known necklace structures. The model is applied to the prediction of DDRX in 304 L stainless steel, with parameters identified using an inverse methodology based on a genetic algorithm. Results show good agreement with experimental data at different temperatures and strain rates, predicting recrystallization kinetics, recrystallized grain size and stress-strain curve. Parameters identified with one initial grain size lead to accurate results for another initial grain size without introducing any additional parameter.

  17. Topological defect and quasi-particle dynamics in charge density waves

    International Nuclear Information System (INIS)

    Hayashi, Masahiko; Ebisawa, Hiromichi

    2010-01-01

    The dynamics of topological defects (dislocations) in charge density waves (CDW's) is largely affected by the quasi-particle dynamics in the cores of the dislocations. The dislocations mediate the conversion of the electron number between condensate and quasi-particle sub-systems. This is especially important in the sliding conduction of CDW. In this work we propose a simple model, which is obtained by extending the Ginzburg-Landau theory partially taking into account the quasi-particle dynamics in the sense of two-fluid model. We perform the numerical simulation of sliding conduction of CDW based on our model. Using this model we may clarify the detailed process of dislocation nucleation and annihilation near the contacts.

  18. Dynamic queuing transmission model for dynamic network loading

    DEFF Research Database (Denmark)

    Raovic, Nevena; Nielsen, Otto Anker; Prato, Carlo Giacomo

    2017-01-01

    and allowing for the representation of multiple vehicle classes, queue spillbacks and shock waves. The model assumes that a link is split into a moving part plus a queuing part, and p that traffic dynamics are given by a triangular fundamental diagram. A case-study is investigated and the DQTM is compared...

  19. A model for plasticity kinetics and its role in simulating the dynamic behavior of Fe at high strain rates

    Energy Technology Data Exchange (ETDEWEB)

    Colvin, J D; Minich, R W; Kalantar, D H

    2007-03-29

    The recent diagnostic capability of the Omega laser to study solid-solid phase transitions at pressures greater than 10 GPa and at strain rates exceeding 10{sup 7} s{sup -1} has also provided valuable information on the dynamic elastic-plastic behavior of materials. We have found, for example, that plasticity kinetics modifies the effective loading and thermodynamic paths of the material. In this paper we derive a kinetics equation for the time-dependent plastic response of the material to dynamic loading, and describe the model's implementation in a radiation-hydrodynamics computer code. This model for plasticity kinetics incorporates the Gilman model for dislocation multiplication and saturation. We discuss the application of this model to the simulation of experimental velocity interferometry data for experiments on Omega in which Fe was shock compressed to pressures beyond the {alpha}-to-{var_epsilon} phase transition pressure. The kinetics model is shown to fit the data reasonably well in this high strain rate regime and further allows quantification of the relative contributions of dislocation multiplication and drag. The sensitivity of the observed signatures to the kinetics model parameters is presented.

  20. Some dynamical aspects of interacting quintessence model

    Indian Academy of Sciences (India)

    Binayak S Choudhury

    2018-03-16

    Mar 16, 2018 ... Accelerated expansion of the Universe; quintessence; dynamical system; Friedmann–Lemaitre–. Robertson–Walker ... accepted theoretical model. One of the .... Thus, quintessence loses its self-strength and gives dark matter.

  1. Modeling of truck's braking dynamics with ABS

    Directory of Open Access Journals (Sweden)

    Maxym DYACHUK

    2014-09-01

    Full Text Available In the article some questions of ABS simulation on the basis of plane vehicle's dynamics and automatic modeling are considered. The author's algorithm of ABS modulators control is presented.

  2. Dynamic Models of Insurgent Activity

    Science.gov (United States)

    2014-05-19

    one dimension that has recently been studied in the computer science community. The model involves movement with a speed proportional to a “fear...more realistic model of human locomotion. The movement of the criminal agents follows a biased Levy flight with step sizes distributed according to a...power-law distribution. The biased Brownian motion of the original model is then derived as a special case. Starting with an agent-based model, we

  3. Stochastic population dynamic models as probability networks

    Science.gov (United States)

    M.E. and D.C. Lee. Borsuk

    2009-01-01

    The dynamics of a population and its response to environmental change depend on the balance of birth, death and age-at-maturity, and there have been many attempts to mathematically model populations based on these characteristics. Historically, most of these models were deterministic, meaning that the results were strictly determined by the equations of the model and...

  4. Bond graph modeling of nuclear reactor dynamics

    International Nuclear Information System (INIS)

    Tylee, J.L.

    1981-01-01

    A tenth-order linear model of a pressurized water reactor (PWR) is developed using bond graph techniques. The model describes the nuclear heat generation process and the transfer of this heat to the reactor coolant. Comparisons between the calculated model response and test data from a small-scale PWR show the model to be an adequate representation of the actual plant dynamics. Possible application of the model in an advanced plant diagnostic system is discussed

  5. Swarm Intelligence for Urban Dynamics Modelling

    International Nuclear Information System (INIS)

    Ghnemat, Rawan; Bertelle, Cyrille; Duchamp, Gerard H. E.

    2009-01-01

    In this paper, we propose swarm intelligence algorithms to deal with dynamical and spatial organization emergence. The goal is to model and simulate the developement of spatial centers using multi-criteria. We combine a decentralized approach based on emergent clustering mixed with spatial constraints or attractions. We propose an extension of the ant nest building algorithm with multi-center and adaptive process. Typically, this model is suitable to analyse and simulate urban dynamics like gentrification or the dynamics of the cultural equipment in urban area.

  6. Swarm Intelligence for Urban Dynamics Modelling

    Science.gov (United States)

    Ghnemat, Rawan; Bertelle, Cyrille; Duchamp, Gérard H. E.

    2009-04-01

    In this paper, we propose swarm intelligence algorithms to deal with dynamical and spatial organization emergence. The goal is to model and simulate the developement of spatial centers using multi-criteria. We combine a decentralized approach based on emergent clustering mixed with spatial constraints or attractions. We propose an extension of the ant nest building algorithm with multi-center and adaptive process. Typically, this model is suitable to analyse and simulate urban dynamics like gentrification or the dynamics of the cultural equipment in urban area.

  7. Understanding and Modeling Teams As Dynamical Systems

    Science.gov (United States)

    Gorman, Jamie C.; Dunbar, Terri A.; Grimm, David; Gipson, Christina L.

    2017-01-01

    By its very nature, much of teamwork is distributed across, and not stored within, interdependent people working toward a common goal. In this light, we advocate a systems perspective on teamwork that is based on general coordination principles that are not limited to cognitive, motor, and physiological levels of explanation within the individual. In this article, we present a framework for understanding and modeling teams as dynamical systems and review our empirical findings on teams as dynamical systems. We proceed by (a) considering the question of why study teams as dynamical systems, (b) considering the meaning of dynamical systems concepts (attractors; perturbation; synchronization; fractals) in the context of teams, (c) describe empirical studies of team coordination dynamics at the perceptual-motor, cognitive-behavioral, and cognitive-neurophysiological levels of analysis, and (d) consider the theoretical and practical implications of this approach, including new kinds of explanations of human performance and real-time analysis and performance modeling. Throughout our discussion of the topics we consider how to describe teamwork using equations and/or modeling techniques that describe the dynamics. Finally, we consider what dynamical equations and models do and do not tell us about human performance in teams and suggest future research directions in this area. PMID:28744231

  8. Multiscale crystal defect dynamics: A coarse-grained lattice defect model based on crystal microstructure

    Science.gov (United States)

    Lyu, Dandan; Li, Shaofan

    2017-10-01

    Crystal defects have microstructure, and this microstructure should be related to the microstructure of the original crystal. Hence each type of crystals may have similar defects due to the same failure mechanism originated from the same microstructure, if they are under the same loading conditions. In this work, we propose a multiscale crystal defect dynamics (MCDD) model that models defects by considering its intrinsic microstructure derived from the microstructure or material genome of the original perfect crystal. The main novelties of present work are: (1) the discrete exterior calculus and algebraic topology theory are used to construct a scale-up (coarse-grained) dual lattice model for crystal defects, which may represent all possible defect modes inside a crystal; (2) a higher order Cauchy-Born rule (up to the fourth order) is adopted to construct atomistic-informed constitutive relations for various defect process zones, and (3) an hierarchical strain gradient theory based finite element formulation is developed to support an hierarchical multiscale cohesive (process) zone model for various defects in a unified formulation. The efficiency of MCDD computational algorithm allows us to simulate dynamic defect evolution at large scale while taking into account atomistic interaction. The MCDD model has been validated by comparing of the results of MCDD simulations with that of molecular dynamics (MD) in the cases of nanoindentation and uniaxial tension. Numerical simulations have shown that MCDD model can predict dislocation nucleation induced instability and inelastic deformation, and thus it may provide an alternative solution to study crystal plasticity.

  9. Dynamical models of spiral galaxies

    International Nuclear Information System (INIS)

    Grosbol, P.

    1990-01-01

    The effects of changing the basic parameters of rotation curve steepness, amount of bulge, and pitch angle of the imposed spiral pattern in the galactic model of Contoupolos and Grosbel (1986) are investigated. The general conclusions of the model are confirmed and shown to be insensitive to the specific choice of parameters for the galactic potential. The exact amplitude at which the nonlinear effects at the 4:1 resonance become important do, however, depend on the model

  10. Dislocations and other topological oddities

    Science.gov (United States)

    Pieranski, Pawel

    2016-03-01

    We will show that the book Dislocations by Jacques Friedel, published half a century ago, can still be recommended, in agreement with the author's intention, as a textbook ;for research students at University and for students at engineering schools as well as for research engineers;. Indeed, today dislocations are known to occur not only in solid crystals but also in many other systems discovered more recently such as colloidal crystals or liquid crystals having periodic structures. Moreover, the concept of dislocations is an excellent starting point for lectures on topological defects occurring in systems equipped with order parameters resulting from broken symmetries: disclinations in nematic or hexatic liquid crystals, dispirations in chiral smectics or disorientations in lyotropic liquid crystals. The discussion of dislocations in Blue Phases will give us an opportunity to call on mind Sir Charles Frank, friend of Jacques Friedel since his Bristol years, who called these ephemeral mesophases ;topological oddities;. Being made of networks of disclinations, Blue Phases are similar to Twist Grain Boundary (TGB) smectic phases, which are made of networks of screw dislocations and whose existence was predicted by de Gennes in 1972 on the basis of the analogy between smectics and superconductors. We will stress that the book by Jacques Friedel contains seeds of this analogy.

  11. Energy Balance Models and Planetary Dynamics

    Science.gov (United States)

    Domagal-Goldman, Shawn

    2012-01-01

    We know that planetary dynamics can have a significant affect on the climate of planets. Planetary dynamics dominate the glacial-interglacial periods on Earth, leaving a significant imprint on the geological record. They have also been demonstrated to have a driving influence on the climates of other planets in our solar system. We should therefore expect th.ere to be similar relationships on extrasolar planets. Here we describe a simple energy balance model that can predict the growth and thickness of glaciers, and their feedbacks on climate. We will also describe model changes that we have made to include planetary dynamics effects. This is the model we will use at the start of our collaboration to handle the influence of dynamics on climate.

  12. Stirling Engine Dynamic System Modeling

    Science.gov (United States)

    Nakis, Christopher G.

    2004-01-01

    The Thermo-Mechanical systems branch at the Glenn Research Center focuses a large amount time on Stirling engines. These engines will be used on missions where solar power is inefficient, especially in deep space. I work with Tim Regan and Ed Lewandowski who are currently developing and validating a mathematical model for the Stirling engines. This model incorporates all aspects of the system including, mechanical, electrical and thermodynamic components. Modeling is done through Simplorer, a program capable of running simulations of the model. Once created and then proven to be accurate, a model is used for developing new ideas for engine design. My largest specific project involves varying key parameters in the model and quantifying the results. This can all be done relatively trouble-free with the help of Simplorer. Once the model is complete, Simplorer will do all the necessary calculations. The more complicated part of this project is determining which parameters to vary. Finding key parameters depends on the potential for a value to be independently altered in the design. For example, a change in one dimension may lead to a proportional change to the rest of the model, and no real progress is made. Also, the ability for a changed value to have a substantial impact on the outputs of the system is important. Results will be condensed into graphs and tables with the purpose of better communication and understanding of the data. With the changing of these parameters, a more optimal design can be created without having to purchase or build any models. Also, hours and hours of results can be simulated in minutes. In the long run, using mathematical models can save time and money. Along with this project, I have many other smaller assignments throughout the summer. My main goal is to assist in the processes of model development, validation and testing.

  13. Brand Equity Evolution: a System Dynamics Model

    Directory of Open Access Journals (Sweden)

    Edson Crescitelli

    2009-04-01

    Full Text Available One of the greatest challenges in brand management lies in monitoring brand equity over time. This paper aimsto present a simulation model able to represent this evolution. The model was drawn on brand equity concepts developed by Aaker and Joachimsthaler (2000, using the system dynamics methodology. The use ofcomputational dynamic models aims to create new sources of information able to sensitize academics and managers alike to the dynamic implications of their brand management. As a result, an easily implementable model was generated, capable of executing continuous scenario simulations by surveying casual relations among the variables that explain brand equity. Moreover, the existence of a number of system modeling tools will allow extensive application of the concepts used in this study in practical situations, both in professional and educational settings

  14. Discrete dynamic modeling of cellular signaling networks.

    Science.gov (United States)

    Albert, Réka; Wang, Rui-Sheng

    2009-01-01

    Understanding signal transduction in cellular systems is a central issue in systems biology. Numerous experiments from different laboratories generate an abundance of individual components and causal interactions mediating environmental and developmental signals. However, for many signal transduction systems there is insufficient information on the overall structure and the molecular mechanisms involved in the signaling network. Moreover, lack of kinetic and temporal information makes it difficult to construct quantitative models of signal transduction pathways. Discrete dynamic modeling, combined with network analysis, provides an effective way to integrate fragmentary knowledge of regulatory interactions into a predictive mathematical model which is able to describe the time evolution of the system without the requirement for kinetic parameters. This chapter introduces the fundamental concepts of discrete dynamic modeling, particularly focusing on Boolean dynamic models. We describe this method step-by-step in the context of cellular signaling networks. Several variants of Boolean dynamic models including threshold Boolean networks and piecewise linear systems are also covered, followed by two examples of successful application of discrete dynamic modeling in cell biology.

  15. Dynamic Modelling with "MLE-Energy Dynamic" for Primary School

    Science.gov (United States)

    Giliberti, Enrico; Corni, Federico

    During the recent years simulation and modelling are growing instances in science education. In primary school, however, the main use of software is the simulation, due to the lack of modelling software tools specially designed to fit/accomplish the needs of primary education. In particular primary school teachers need to use simulation in a framework that is both consistent and simple enough to be understandable by children [2]. One of the possible area to approach modelling is about the construction of the concept of energy, in particular for what concerns the relations among substance, potential, power [3]. Following the previous initial research results with this approach [2], and with the static version of the software MLE Energy [1], we suggest the design and the experimentation of a dynamic modelling software—MLE dynamic-capable to represent dynamically the relations occurring when two substance-like quantities exchange energy, modifying their potential. By means of this software the user can graphically choose the dependent and independent variables and leave the other parameters fixed. The software has been initially evaluated, during a course of science education with a group of primary school teachers-to-be, to test the ability of the software to improve teachers' way of thinking in terms of substance-like quantities and their effects (graphical representation of the extensive, intensive variables and their mutual relations); moreover, the software has been tested with a group of primary school teachers, asking their opinion about the software didactical relevance in the class work.

  16. Origins and implications of temperature-dependent activation energy barriers for dislocation nucleation in face-centered cubic metals

    International Nuclear Information System (INIS)

    Warner, D.H.; Curtin, W.A.

    2009-01-01

    The linking of atomistic simulations of stress-driven processes to experimentally observed mechanical behavior via the computation of activation energy barriers is a topic of intense current research. Using dislocation nucleation from a crack tip as the reaction process, long-time multiscale molecular dynamics simulations show that the activation barrier can exhibit significant temperature dependence. Using an analytic model for the nucleation process and computing the relevant material properties (elastic constants and stacking fault energies), the temperature dependence is shown to arise primarily from the temperature dependence of the material parameters for both Al and Ni. After thermally activated emission of the first partial dislocation, there is then a competition between two other thermally activated processes: twinning and full dislocation emission. Because the activation barriers depend on temperature, this transition is more complex than usually envisioned. Simulations in Al reveal that a transition from twinning to full dislocation emission back to twinning occurs with increasing temperature, which is counter to traditional metallurgical wisdom. Temperature-dependent activation energies are thus essential to accurate understanding and prediction of those phenomena that control fracture and deformation in metals at realistic loading rates.

  17. Dynamics of the standard model

    CERN Document Server

    Donoghue, John F; Holstein, Barry R

    2014-01-01

    Describing the fundamental theory of particle physics and its applications, this book provides a detailed account of the Standard Model, focusing on techniques that can produce information about real observed phenomena. The book begins with a pedagogic account of the Standard Model, introducing essential techniques such as effective field theory and path integral methods. It then focuses on the use of the Standard Model in the calculation of physical properties of particles. Rigorous methods are emphasized, but other useful models are also described. This second edition has been updated to include recent theoretical and experimental advances, such as the discovery of the Higgs boson. A new chapter is devoted to the theoretical and experimental understanding of neutrinos, and major advances in CP violation and electroweak physics have been given a modern treatment. This book is valuable to graduate students and researchers in particle physics, nuclear physics and related fields.

  18. Prediction of dislocation boundary characteristics

    DEFF Research Database (Denmark)

    Winther, Grethe

    Plastic deformation of both fcc and bcc metals of medium to high stacking fault energy is known to result in dislocation patterning in the form of cells and extended planar dislocation boundaries. The latter align with specific crystallographic planes, which depend on the crystallographic......) and it is found that to a large extent the dislocations screen each other’s elastic stress fields [3]. The present contribution aims at advancing the previous theoretical analysis of a boundary on a known crystallographic plane to actual prediction of this plane as well as other boundary characteristics....... Crystal plasticity calculations combined with the hypothesis that these boundaries separate domains with local differences in the slip system activity are introduced to address precise prediction of the experimentally observed boundaries. The presentation will focus on two cases from fcc metals...

  19. Forecasting with Dynamic Regression Models

    CERN Document Server

    Pankratz, Alan

    2012-01-01

    One of the most widely used tools in statistical forecasting, single equation regression models is examined here. A companion to the author's earlier work, Forecasting with Univariate Box-Jenkins Models: Concepts and Cases, the present text pulls together recent time series ideas and gives special attention to possible intertemporal patterns, distributed lag responses of output to input series and the auto correlation patterns of regression disturbance. It also includes six case studies.

  20. Dynamic Modelling Of A SCARA Robot

    Science.gov (United States)

    Turiel, J. Perez; Calleja, R. Grossi; Diez, V. Gutierrez

    1987-10-01

    This paper describes a method for modelling industrial robots that considers dynamic approach to manipulation systems motion generation, obtaining the complete dynamic model for the mechanic part of the robot and taking into account the dynamic effect of actuators acting at the joints. For a four degree of freedom SCARA robot we obtain the dynamic model for the basic (minimal) configuration, that is, the three degrees of freedom that allow us to place the robot end effector in a desired point, using the Lagrange Method to obtain the dynamic equations in matrix form. The manipulator is considered to be a set of rigid bodies inter-connected by joints in the form of simple kinematic pairs. Then, the state space model is obtained for the actuators that move the robot joints, uniting the models of the single actuators, that is, two DC permanent magnet servomotors and an electrohydraulic actuator. Finally, using a computer simulation program written in FORTRAN language, we can compute the matrices of the complete model.

  1. Dynamic modeling of IGCC power plants

    International Nuclear Information System (INIS)

    Casella, F.; Colonna, P.

    2012-01-01

    Integrated Gasification Combined Cycle (IGCC) power plants are an effective option to reduce emissions and implement carbon-dioxide sequestration. The combination of a very complex fuel-processing plant and a combined cycle power station leads to challenging problems as far as dynamic operation is concerned. Dynamic performance is extremely relevant because recent developments in the electricity market push toward an ever more flexible and varying operation of power plants. A dynamic model of the entire system and models of its sub-systems are indispensable tools in order to perform computer simulations aimed at process and control design. This paper presents the development of the lumped-parameters dynamic model of an entrained-flow gasifier, with special emphasis on the modeling approach. The model is implemented into software by means of the Modelica language and validated by comparison with one set of data related to the steady operation of the gasifier of the Buggenum power station in the Netherlands. Furthermore, in order to demonstrate the potential of the proposed modeling approach and the use of simulation for control design purposes, a complete model of an exemplary IGCC power plant, including its control system, has been developed, by re-using existing models of combined cycle plant components; the results of a load dispatch ramp simulation are presented and shortly discussed. - Highlights: ► The acausal dynamic model of an entrained gasifier has been developed. ► The model can be used to perform system optimization and control studies. ► The model has been validated using field data. ► Model use is illustrated with an example showing the transient of an IGCC plant.

  2. Automated adaptive inference of phenomenological dynamical models

    Science.gov (United States)

    Daniels, Bryan

    Understanding the dynamics of biochemical systems can seem impossibly complicated at the microscopic level: detailed properties of every molecular species, including those that have not yet been discovered, could be important for producing macroscopic behavior. The profusion of data in this area has raised the hope that microscopic dynamics might be recovered in an automated search over possible models, yet the combinatorial growth of this space has limited these techniques to systems that contain only a few interacting species. We take a different approach inspired by coarse-grained, phenomenological models in physics. Akin to a Taylor series producing Hooke's Law, forgoing microscopic accuracy allows us to constrain the search over dynamical models to a single dimension. This makes it feasible to infer dynamics with very limited data, including cases in which important dynamical variables are unobserved. We name our method Sir Isaac after its ability to infer the dynamical structure of the law of gravitation given simulated planetary motion data. Applying the method to output from a microscopically complicated but macroscopically simple biological signaling model, it is able to adapt the level of detail to the amount of available data. Finally, using nematode behavioral time series data, the method discovers an effective switch between behavioral attractors after the application of a painful stimulus.

  3. Epitaxial strain relaxation by provoking edge dislocation dipoles

    Science.gov (United States)

    Soufi, A.; El-Hami, K.

    2018-02-01

    Thin solid films have been used in various devices and engineering systems such as rapid development of highly integrated electronic circuits, the use of surface coatings to protect structural materials in high temperature environments, and thin films are integral parts of many micro-electro-mechanical systems designed to serve as sensors, actuators. Among techniques of ultra-thin films deposition, the heteroepitaxial method becomes the most useful at nanoscale level to obtain performed materials in various applications areas. On the other hand, stresses that appeared during the elaboration of thin films could rise deformations and fractures in materials. The key solution to solve this problem at the nanoscale level is the nucleation of interface dislocations from free surfaces. By provoking edge dislocation dipoles we obtained a strain relaxation in thin films. Moreover, the dynamic of nucleation in edge dislocations from free lateral surfaces was also studied.

  4. Relaxation strain measurements in cellular dislocation structures

    International Nuclear Information System (INIS)

    Tsai, C.Y.; Quesnel, D.J.

    1984-01-01

    The conventional picture of what happens during a stress relaxation usually involves imagining the response of a single dislocation to a steadily decreasing stress. The velocity of this dislocation decreases with decreasing stress in such a way that we can measure the stress dependence of the dislocation velocity. Analysis of the data from a different viewpoint enables us to calculate the apparent activation volume for the motion of the dislocation under the assumption of thermally activated glie. Conventional thinking about stress relaxation, however, does not consider the eventual fate of this dislocation. If the stress relaxes to a low enough level, it is clear that the dislocation must stop. This is consistent with the idea that we can determine the stress dependence of the dislocation velocity from relaxation data only for those cases where the dislocation's velocity is allowed to approach zero asymptotically, in short, for those cases where the dislocation never stops. This conflict poses a dilemma for the experimentalist. In real crystals, however, obstacles impede the dislocation's progress so that those dislocations which are stopped at a given stress will probably never resume motion under the influence of the steadily declining stress present during relaxation. Thus one could envision stress relaxation as a process of exhaustion of mobile dislocations, rather than a process of decreasing dislocation velocity. Clearly both points of view have merit and in reality both mechanisms contribute to the phenomena

  5. Online Learning of Industrial Manipulators' Dynamics Models

    DEFF Research Database (Denmark)

    Polydoros, Athanasios

    2017-01-01

    , it was compared with multiple other state-of-the-art machine learning algorithms. Moreover, the thesis presents the application of the proposed learning method on robot control for achieving trajectory execution while learning the inverse dynamics models  on-the-fly . Also it is presented the application...... of the dynamics models. Those mainly derive from physics-based methods and thus they are based on physical properties which are hard to be calculated.  In this thesis, is presented, a novel online machine learning approach  which is able to model both inverse and forward dynamics models of industrial manipulators....... The proposed method belongs to the class of deep learning and exploits the concepts of self-organization, recurrent neural networks and iterative multivariate Bayesian regression. It has been evaluated on multiple datasets captured from industrial robots while they were performing various tasks. Also...

  6. Dynamic optimization deterministic and stochastic models

    CERN Document Server

    Hinderer, Karl; Stieglitz, Michael

    2016-01-01

    This book explores discrete-time dynamic optimization and provides a detailed introduction to both deterministic and stochastic models. Covering problems with finite and infinite horizon, as well as Markov renewal programs, Bayesian control models and partially observable processes, the book focuses on the precise modelling of applications in a variety of areas, including operations research, computer science, mathematics, statistics, engineering, economics and finance. Dynamic Optimization is a carefully presented textbook which starts with discrete-time deterministic dynamic optimization problems, providing readers with the tools for sequential decision-making, before proceeding to the more complicated stochastic models. The authors present complete and simple proofs and illustrate the main results with numerous examples and exercises (without solutions). With relevant material covered in four appendices, this book is completely self-contained.

  7. Irreducible Traumatic Posterior Shoulder Dislocation

    Directory of Open Access Journals (Sweden)

    Blake Collier

    2017-01-01

    Full Text Available History of present illness: A 22-year-old male presented to the Emergency Department complaining of right shoulder pain after a motocross accident. He was traveling at approximately 10 mph around a turn when he lost control and was thrown over the handlebars, landing directly on his right shoulder. On arrival, he was holding his arm in adduction and internal rotation. An area of swelling was noted over his anterior shoulder. He was unable to abduct his shoulder. No humeral gapping was noted. He had normal neuro-vascular status distal to the injury. Significant findings: Radiographs demonstrated posterior displacement of the humeral head on the “Y” view (see white arrow and widening of the glenohumeral joint space on anterior-posterior view (see red arrow. The findings were consistent with posterior dislocation and a Hill-Sachs type deformity. Sedation was performed and reduction was attempted using external rotation, traction counter-traction. An immediate “pop” was felt during the procedure. Post-procedure radiographs revealed a persistent posterior subluxation with interlocking at posterior glenoid. CT revealed posterior dislocation with acute depressed impaction deformity medial to the biceps groove with the humeral head perched on the posterior glenoid, interlocked at reverse Hill-Sachs deformity (see blue arrow. Discussion: Posterior shoulder dislocations are rare and represent only 2% of all shoulder dislocations. Posterior shoulder dislocations are missed on initial diagnosis in more than 60% of cases.1 Posterior shoulder dislocations result from axial loading of the adducted and internally rotated shoulder, violent muscle contractions (resulting from seizures or electrocution, a direct posterior force applied to the anterior shoulder.1 Physical findings include decreased anterior prominence of the humeral head, increased palpable posterior prominence of the humeral head below the acromion, increased palpable prominence of the

  8. Bipolar dislocation of the clavicle

    Directory of Open Access Journals (Sweden)

    Wei Jiang

    2012-01-01

    Full Text Available Bipolar dislocation of the clavicle at acromioclavicular and sternoclavicular joint is an uncommon traumatic injury. The conservative treatments adopted in the past is associated with redislocation dysfunction and deformity. A 41 years old lady with bipolar dislocation of right shoulder is treated surgically by open reduction and internal fixation by oblique T-plate at sternoclavicular joint and Kirschner wire stabilization at acromioclavicular joint. The patient showed satisfactory recovery with full range of motion of the right shoulder and normal muscular strength. The case reported in view of rarity and at 2 years followup.

  9. Dynamic modeling of the INAPRO aquaponic system

    NARCIS (Netherlands)

    Karimanzira, Divas; Keesman, Karel J.; Kloas, Werner; Baganz, Daniela; Rauschenbach, Thomas

    2016-01-01

    The use of modeling techniques to analyze aquaponics systems is demonstrated with an example of dynamic modeling for the production of Nile tilapia (Oreochromis niloticus) and tomatoes (Solanum lycopersicon) using the innovative double recirculating aquaponic system ASTAF-PRO. For the management

  10. Dynamic spatial panels : models, methods, and inferences

    NARCIS (Netherlands)

    Elhorst, J. Paul

    This paper provides a survey of the existing literature on the specification and estimation of dynamic spatial panel data models, a collection of models for spatial panels extended to include one or more of the following variables and/or error terms: a dependent variable lagged in time, a dependent

  11. A Discrete Dynamical Model of Signed Partitions

    Directory of Open Access Journals (Sweden)

    G. Chiaselotti

    2013-01-01

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

  12. Dynamic Factor Models for the Volatility Surface

    DEFF Research Database (Denmark)

    van der Wel, Michel; Ozturk, Sait R.; Dijk, Dick van

    The implied volatility surface is the collection of volatilities implied by option contracts for different strike prices and time-to-maturity. We study factor models to capture the dynamics of this three-dimensional implied volatility surface. Three model types are considered to examine desirable...

  13. Computational issues in the simulation of two-dimensional discrete dislocation mechanics

    Science.gov (United States)

    Segurado, J.; LLorca, J.; Romero, I.

    2007-06-01

    The effect of the integration time step and the introduction of a cut-off velocity for the dislocation motion was analysed in discrete dislocation dynamics (DD) simulations of a single crystal microbeam. Two loading modes, bending and uniaxial tension, were examined. It was found that a longer integration time step led to a progressive increment of the oscillations in the numerical solution, which would eventually diverge. This problem could be corrected in the simulations carried out in bending by introducing a cut-off velocity for the dislocation motion. This strategy (long integration times and a cut-off velocity for the dislocation motion) did not recover, however, the solution computed with very short time steps in uniaxial tension: the dislocation density was overestimated and the dislocation patterns modified. The different response to the same numerical algorithm was explained in terms of the nature of the dislocations generated in each case: geometrically necessary in bending and statistically stored in tension. The evolution of the dislocation density in the former was controlled by the plastic curvature of the beam and was independent of the details of the simulations. On the contrary, the steady-state dislocation density in tension was determined by the balance between nucleation of dislocations and those which are annihilated or which exit the beam. Changes in the DD imposed by the cut-off velocity altered this equilibrium and the solution. These results point to the need for detailed analyses of the accuracy and stability of the dislocation dynamic simulations to ensure that the results obtained are not fundamentally affected by the numerical strategies used to solve this complex problem.

  14. Stress-dislocation interaction mechanism in low-temperature thermo-compression sintering of Ag NPs

    Science.gov (United States)

    Wang, Fuliang; Tang, Zikai; He, Hu

    2018-04-01

    The sintering of metal nanoparticles (NPs) has been widely studied in the field of nanotechnology, and low-temperature sintering has become the industry standard. In this study, a molecular dynamics (MD) model was established to study the sintering behaviour of silver NPs during low-temperature thermo-compression. Primarily, we studied the sintering process, in which the ratio of neck radius to particle radius (x/r) changes. Under a uniaxial pressure, the maximum ratio in the temperature range 420-425 K was 1. According to the change of x/r, the process can be broken down into three stages: the neck-formation stage, neck-growth stage, and neck-stability stage. In addition, the relationship between potential energy, internal stress, and dislocation density during sintering is discussed. The results showed that cycling internal stress played an important role in sintering. Under the uniaxial pressure, the stress-dislocation interaction was found to be the major mechanism for thermo-compression sintering because the plastic deformation product dislocation intensified the diffusion of atoms. Also, the displacement vector, the mean square displacement, and the changing crystal structure during sintering were studied.

  15. Stress-dislocation interaction mechanism in low-temperature thermo-compression sintering of Ag NPs

    Directory of Open Access Journals (Sweden)

    Fuliang Wang

    2018-04-01

    Full Text Available The sintering of metal nanoparticles (NPs has been widely studied in the field of nanotechnology, and low-temperature sintering has become the industry standard. In this study, a molecular dynamics (MD model was established to study the sintering behaviour of silver NPs during low-temperature thermo-compression. Primarily, we studied the sintering process, in which the ratio of neck radius to particle radius (x/r changes. Under a uniaxial pressure, the maximum ratio in the temperature range 420–425 K was 1. According to the change of x/r, the process can be broken down into three stages: the neck-formation stage, neck-growth stage, and neck-stability stage. In addition, the relationship between potential energy, internal stress, and dislocation density during sintering is discussed. The results showed that cycling internal stress played an important role in sintering. Under the uniaxial pressure, the stress-dislocation interaction was found to be the major mechanism for thermo-compression sintering because the plastic deformation product dislocation intensified the diffusion of atoms. Also, the displacement vector, the mean square displacement, and the changing crystal structure during sintering were studied.

  16. Dynamical modeling of surface tension

    International Nuclear Information System (INIS)

    Brackbill, J.U.; Kothe, D.B.

    1996-01-01

    In a recent review it is said that free-surface flows ''represent some of the difficult remaining challenges in computational fluid dynamics''. There has been progress with the development of new approaches to treating interfaces, such as the level-set method and the improvement of older methods such as the VOF method. A common theme of many of the new developments has been the regularization of discontinuities at the interface. One example of this approach is the continuum surface force (CSF) formulation for surface tension, which replaces the surface stress given by Laplace's equation by an equivalent volume force. Here, we describe how CSF might be made more useful. Specifically, we consider a derivation of the CSF equations from a minimization of surface energy as outlined by Jacqmin. This reformulation suggests that if one eliminates the computation of curvature in terms of a unit normal vector, parasitic currents may be eliminated For this reformulation to work, it is necessary that transition region thickness be controlled. Various means for this, in addition to the one discussed by Jacqmin are discussed

  17. Session 6: Dynamic Modeling and Systems Analysis

    Science.gov (United States)

    Csank, Jeffrey; Chapman, Jeffryes; May, Ryan

    2013-01-01

    These presentations cover some of the ongoing work in dynamic modeling and dynamic systems analysis. The first presentation discusses dynamic systems analysis and how to integrate dynamic performance information into the systems analysis. The ability to evaluate the dynamic performance of an engine design may allow tradeoffs between the dynamic performance and operability of a design resulting in a more efficient engine design. The second presentation discusses the Toolbox for Modeling and Analysis of Thermodynamic Systems (T-MATS). T-MATS is a Simulation system with a library containing the basic building blocks that can be used to create dynamic Thermodynamic Systems. Some of the key features include Turbo machinery components, such as turbines, compressors, etc., and basic control system blocks. T-MAT is written in the Matlab-Simulink environment and is open source software. The third presentation focuses on getting additional performance from the engine by allowing the limit regulators only to be active when a limit is danger of being violated. Typical aircraft engine control architecture is based on MINMAX scheme, which is designed to keep engine operating within prescribed mechanical/operational safety limits. Using a conditionally active min-max limit regulator scheme, additional performance can be gained by disabling non-relevant limit regulators

  18. Mesoscale Models of Fluid Dynamics

    Science.gov (United States)

    Boghosian, Bruce M.; Hadjiconstantinou, Nicolas G.

    During the last half century, enormous progress has been made in the field of computational materials modeling, to the extent that in many cases computational approaches are used in a predictive fashion. Despite this progress, modeling of general hydrodynamic behavior remains a challenging task. One of the main challenges stems from the fact that hydrodynamics manifests itself over a very wide range of length and time scales. On one end of the spectrum, one finds the fluid's "internal" scale characteristic of its molecular structure (in the absence of quantum effects, which we omit in this chapter). On the other end, the "outer" scale is set by the characteristic sizes of the problem's domain. The resulting scale separation or lack thereof as well as the existence of intermediate scales are key to determining the optimal approach. Successful treatments require a judicious choice of the level of description which is a delicate balancing act between the conflicting requirements of fidelity and manageable computational cost: a coarse description typically requires models for underlying processes occuring at smaller length and time scales; on the other hand, a fine-scale model will incur a significantly larger computational cost.

  19. Modelling biased human trust dynamics

    NARCIS (Netherlands)

    Hoogendoorn, M.; Jaffry, S.W.; Maanen, P.P. van; Treur, J.

    2013-01-01

    Abstract. Within human trust related behaviour, according to the literature from the domains of Psychology and Social Sciences often non-rational behaviour can be observed. Current trust models that have been developed typically do not incorporate non-rational elements in the trust formation

  20. Dynamic model for a boiling water reactor

    International Nuclear Information System (INIS)

    Muscettola, M.

    1963-07-01

    A theoretical formulation is derived for the dynamics of a boiling water reactor of the pressure tube and forced circulation type. Attention is concentrated on neutron kinetics, fuel element heat transfer dynamics, and the primary circuit - that is the boiling channel, riser, steam drum, downcomer and recirculating pump of a conventional La Mont loop. Models for the steam and feedwater plant are not derived. (author)

  1. Dislocation mediated alignment during metal nanoparticle coalescence

    International Nuclear Information System (INIS)

    Lange, A.P.; Samanta, A.; Majidi, H.; Mahajan, S.; Ging, J.; Olson, T.Y.; Benthem, K. van; Elhadj, S.

    2016-01-01

    Dislocation mediated alignment processes during gold nanoparticle coalescence were studied at low and high temperatures using molecular dynamics simulations and transmission electron microscopy. Particles underwent rigid body rotations immediately following attachment in both low temperature (500 K) simulated coalescence events and low temperature (∼315 K) transmission electron microscopy beam heating experiments. In many low temperature simulations, some degree of misorientation between particles remained after rigid body rotations, which was accommodated by grain boundary dislocation nodes. These dislocations were either sessile and remained at the interface for the duration of the simulation or dissociated and cross-slipped through the adjacent particles, leading to improved co-alignment. Minimal rigid body rotations were observed during or immediately following attachment in high temperature (1100 K) simulations, which is attributed to enhanced diffusion at the particles' interface. However, rotation was eventually induced by {111} slip on planes parallel to the neck groove. These deformation modes led to the formation of single and multi-fold twins whose structures depended on the initial orientation of the particles. The driving force for {111} slip is attributed to high surface stresses near the intersection of low energy {111} facets in the neck region. The details of this twinning process were examined in detail using simulated trajectories, and the results reveal possible mechanisms for the nucleation and propagation of Shockley partials on consecutive planes. Deformation twinning was also observed in-situ using transmission electron microscopy, which resulted in the co-alignment of a set of the particles' {111} planes across their grain boundary and an increase in their dihedral angle. This constitutes the first detailed experimental observation of deformation twinning during nanoparticle coalescence, validating simulation results presented here and

  2. Trapping of hydrogen and helium at an {110}<111> edge dislocation in tungsten

    Energy Technology Data Exchange (ETDEWEB)

    Xie, Hongxian, E-mail: hongxianxie@163.com [School of Mechanical Engineering, Hebei University of Technology, Tianjin 300132 (China); Tianjin Key Laboratory of Materials Laminating Fabrication and Interface Control Technology, Tianjin 300132 (China); Xu, Ke [School of Physics & Nuclear Energy Engineering, Beihang University, Beijing 100191 (China); Lu, Guang-Hong, E-mail: LGH@buaa.edu.cn [School of Physics & Nuclear Energy Engineering, Beihang University, Beijing 100191 (China); Yu, Tao [Central Iron and Steel Research Institute, Beijing 100081 (China); Yin, Fuxing [Tianjin Key Laboratory of Materials Laminating Fabrication and Interface Control Technology, Tianjin 300132 (China); Research Institute for Energy Equipment Materials, Hebei University of Technology, Tianjin 300132 (China)

    2017-02-15

    We have performed an atomistic simulation to investigate energetics and dynamic behaviour of hydrogen (H) and helium (He) at an {110}<111> edge dislocation in tungsten (W). The edge dislocation is shown to attract H/He at the tensile stress region according to the negative interaction energy of H/He at the tensile stress region, which implies that the dislocation is energetically beneficial to accommodate both H and He. Dynamically both H and He are easy to diffuse into the dislocation core, indicating the ‘down-hill’ diffusion due to the presence of the dislocation serving as a trapping center for both H and He. Further, He exhibits much lower interaction energy and much faster diffusion into the dislocation core region as compared with H owing to the close shell electronic structure of He. The results suggest the edge dislocation as a trapping center facilitates the H/He accumulation, contributing to the understanding the role of the dislocation on the H/He accumulation and bubble formation in W.

  3. A dynamical model for multifragmentation

    International Nuclear Information System (INIS)

    Ngo, H.; Ighezou, F.Z.; Ngo, C.

    1999-01-01

    The surface multifragmentation of highly excited (compression and thermal excitation) 208 Pb is investigated with a finite temperature spherical TDHF approximation coupled to a restructured aggregation model. This approach is discussed in terms of the data available from ALADIN collaboration at GSI on gold ion induced reactions on C, Al and Cu targets at 600 MeV/u excitation energy. The calculation showed that the slowest fragments originate in the nuclear volume while the smaller, faster fragments are emitted from surface

  4. Nonlinear Dynamic Models in Advanced Life Support

    Science.gov (United States)

    Jones, Harry

    2002-01-01

    To facilitate analysis, ALS systems are often assumed to be linear and time invariant, but they usually have important nonlinear and dynamic aspects. Nonlinear dynamic behavior can be caused by time varying inputs, changes in system parameters, nonlinear system functions, closed loop feedback delays, and limits on buffer storage or processing rates. Dynamic models are usually cataloged according to the number of state variables. The simplest dynamic models are linear, using only integration, multiplication, addition, and subtraction of the state variables. A general linear model with only two state variables can produce all the possible dynamic behavior of linear systems with many state variables, including stability, oscillation, or exponential growth and decay. Linear systems can be described using mathematical analysis. Nonlinear dynamics can be fully explored only by computer simulations of models. Unexpected behavior is produced by simple models having only two or three state variables with simple mathematical relations between them. Closed loop feedback delays are a major source of system instability. Exceeding limits on buffer storage or processing rates forces systems to change operating mode. Different equilibrium points may be reached from different initial conditions. Instead of one stable equilibrium point, the system may have several equilibrium points, oscillate at different frequencies, or even behave chaotically, depending on the system inputs and initial conditions. The frequency spectrum of an output oscillation may contain harmonics and the sums and differences of input frequencies, but it may also contain a stable limit cycle oscillation not related to input frequencies. We must investigate the nonlinear dynamic aspects of advanced life support systems to understand and counter undesirable behavior.

  5. System Dynamics Modeling of Multipurpose Reservoir Operation

    Directory of Open Access Journals (Sweden)

    Ebrahim Momeni

    2006-03-01

    Full Text Available System dynamics, a feedback – based object – oriented simulation approach, not only represents complex dynamic systemic systems in a realistic way but also allows the involvement of end users in model development to increase their confidence in modeling process. The increased speed of model development, the possibility of group model development, the effective communication of model results, and the trust developed in the model due to user participation are the main strengths of this approach. The ease of model modification in response to changes in the system and the ability to perform sensitivity analysis make this approach more attractive compared with systems analysis techniques for modeling water management systems. In this study, a system dynamics model was developed for the Zayandehrud basin in central Iran. This model contains river basin, dam reservoir, plains, irrigation systems, and groundwater. Current operation rule is conjunctive use of ground and surface water. Allocation factor for each irrigation system is computed based on the feedback from groundwater storage in its zone. Deficit water is extracted from groundwater.The results show that applying better rules can not only satisfy all demands such as Gawkhuni swamp environmental demand, but it can also  prevent groundwater level drawdown in future.

  6. Growth rate effects on the formation of dislocation loops around deep helium bubbles in Tungsten

    International Nuclear Information System (INIS)

    Sandoval, Luis; Perez, Danny; Uberuaga, Blas P.; Voter, Arthur Ford

    2016-01-01

    Here, the growth process of spherical helium bubbles located 6 nm below a (100) surface is studied using molecular dynamics and parallel replica dynamics simulations, over growth rates from 10"6 to 10"1"2 helium atoms per second. Slower growth rates lead to a release of pressure and lower helium content as compared with fast growth cases. In addition, at slower growth rates, helium bubbles are not decorated by multiple dislocation loops, as these tend to merge or emit given sufficient time. At faster rates, dislocation loops nucleate faster than they can emit, leading to a more complicated dislocation structure around the bubble.

  7. Computer simulation of the interaction between an extended dislocation and radiation defects in the fcc lattice

    International Nuclear Information System (INIS)

    Kuramoto, E.; Nakamura, Y.; Tsutsumi, T.

    1993-01-01

    The interaction between an extended dislocation and a radiation-induced defect, especially, a self-interstitial atom (SIA), has been investigated in the model fcc lattice by computer simulation technique. An SIA was absorbed into the core of one of the two partial dislocations of the extended screw dislocation as a crowdion which extends along the dislocation line. Under the applied shear stress this crowdion acted as a pinning point, resulting in irradiation hardening. On the other hand, an SIA was absorbed at the jog site of the extended edge dislocation (at one of the two jog sites on two partial dislocations) and after some relaxation the total jog was shifted to one atomic distance through the spreading out of the strain due to an SIA from one partial side to the other side. (orig.)

  8. Phase-field simulation of lenticular martensite and inheritance of the accommodation dislocations

    Directory of Open Access Journals (Sweden)

    Kundin Julia

    2015-01-01

    Full Text Available A phase-field simulation is performed to study the substructure evolution of lenticular martensite in TRIP steels. The evolution of martensitic phase variants and dislocations is calculated by a coupled phase-field micro-elasticity model. The simulations at isothermal conditions show that during the phase transformation, the accommodation dislocations evolving in the austenite are inherited by the martensitic phase and cause the further evolution of a single martensitic variant in the direction of the dislocation slip. As a result of the interaction, a change of the growth mode from twining to slip can be observed in accordance to the substructure formation of lenticular martensite. This interaction between the dislocations and martensitic phase depends on dislocation slip systems and the orientation of the martensitic variants as well as on the energy barriers for the phase transformation and for the dislocation motion.

  9. Density of bunched threading dislocations in epitaxial GaN layers as determined using X-ray diffraction

    Science.gov (United States)

    Barchuk, M.; Holý, V.; Rafaja, D.

    2018-04-01

    X-ray diffraction is one of the most popular experimental methods employed for determination of dislocation densities, as it can recognize both the strain fields and the local lattice rotations produced by dislocations. The main challenge of the quantitative analysis of the dislocation density is the formulation of a suitable microstructure model, which describes the dislocation arrangement and the effect of the interactions between the strain fields from neighboring dislocations reliably in order to be able to determine the dislocation densities precisely. The aim of this study is to prove the capability of X-ray diffraction and two computational methods, which are frequently used for quantification of the threading dislocation densities from X-ray diffraction measurements, in the special case of partially bunched threading dislocations. The first method is based on the analysis of the dislocation-controlled crystal mosaicity, and the other one on the analysis of diffuse X-ray scattering from threading dislocations. The complementarity of both methods is discussed. Furthermore, it is shown how the complementarity of these methods can be used to improve the results of the quantitative analysis of bunched and thus inhomogeneously distributed threading dislocations and to get a better insight into the dislocation arrangement.

  10. 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...

  11. Feature Extraction for Structural Dynamics Model Validation

    Energy Technology Data Exchange (ETDEWEB)

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

    2016-01-13

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

  12. Record Dynamics and the Parking Lot Model for granular dynamics

    Science.gov (United States)

    Sibani, Paolo; Boettcher, Stefan

    Also known for its application to granular compaction (E. Ben-Naim et al., Physica D, 1998), the Parking Lot Model (PLM) describes the random parking of identical cars in a strip with no marked bays. In the thermally activated version considered, cars can be removed at an energy cost and, in thermal equilibrium, their average density increases as temperature decreases. However, equilibration at high density becomes exceedingly slow and the system enters an aging regime induced by a kinematic constraint, the fact that parked cars may not overlap. As parking an extra car reduces the available free space,the next parking event is even harder to achieve. Records in the number of parked cars mark the salient features of the dynamics and are shown to be well described by the log-Poisson statistics known from other glassy systems with record dynamics. Clusters of cars whose positions must be rearranged to make the next insertion possible have a length scale which grows logarithmically with age, while their life-time grows exponentially with size. The implications for a recent cluster model of colloidal dynamics,(S. Boettcher and P. Sibani, J. Phys.: Cond. Matter, 2011 N. Becker et al., J. Phys.: Cond. Matter, 2014) are discussed. Support rom the Villum Foundation is gratefully acknowledged.

  13. Modeling the dynamics of dissent

    Science.gov (United States)

    Lee, Eun; Holme, Petter; Lee, Sang Hoon

    2017-11-01

    We investigate the formation of opinion against authority in an authoritarian society composed of agents with different levels of authority. We explore a ;dissenting; opinion, held by lower-ranking, obedient, or less authoritative people, spreading in an environment of an ;affirmative; opinion held by authoritative leaders. A real-world example would be a corrupt society where people revolt against such leaders, but it can be applied to more general situations. In our model, agents can change their opinion depending on their authority relative to their neighbors and their own confidence level. In addition, with a certain probability, agents can override the affirmative opinion to take the dissenting opinion of a neighbor. Based on analytic derivation and numerical simulations, we observe that both the network structure and heterogeneity in authority, and their correlation, significantly affect the possibility of the dissenting opinion to spread through the population. In particular, the dissenting opinion is suppressed when the authority distribution is very heterogeneous and there exists a positive correlation between the authority and the number of neighbors of people (degree). Except for such an extreme case, though, spreading of the dissenting opinion takes place when people have the tendency to override the authority to hold the dissenting opinion, but the dissenting opinion can take a long time to spread to the entire society, depending on the model parameters. We argue that the internal social structure of agents sets the scale of the time to reach consensus, based on the analysis of the underlying structural properties of opinion spreading.

  14. Modeling Dynamic Regulatory Processes in Stroke

    Science.gov (United States)

    McDermott, Jason E.; Jarman, Kenneth; Taylor, Ronald; Lancaster, Mary; Shankaran, Harish; Vartanian, Keri B.; Stevens, Susan L.; Stenzel-Poore, Mary P.; Sanfilippo, Antonio

    2012-01-01

    The ability to examine the behavior of biological systems in silico has the potential to greatly accelerate the pace of discovery in diseases, such as stroke, where in vivo analysis is time intensive and costly. In this paper we describe an approach for in silico examination of responses of the blood transcriptome to neuroprotective agents and subsequent stroke through the development of dynamic models of the regulatory processes observed in the experimental gene expression data. First, we identified functional gene clusters from these data. Next, we derived ordinary differential equations (ODEs) from the data relating these functional clusters to each other in terms of their regulatory influence on one another. Dynamic models were developed by coupling these ODEs into a model that simulates the expression of regulated functional clusters. By changing the magnitude of gene expression in the initial input state it was possible to assess the behavior of the networks through time under varying conditions since the dynamic model only requires an initial starting state, and does not require measurement of regulatory influences at each time point in order to make accurate predictions. We discuss the implications of our models on neuroprotection in stroke, explore the limitations of the approach, and report that an optimized dynamic model can provide accurate predictions of overall system behavior under several different neuroprotective paradigms. PMID:23071432

  15. Posterior Dislocation of the Hip

    African Journals Online (AJOL)

    than 24 hours, and 13 more than 48 hours after injury. (Table II). TABLE If. RESULTS PLOITED AGAINST DELAY IN. REDUCTION OF THE DISLOCATION. Time from injury. (h). Excellent. Poor and fair. Total. 48. 7. 6. 13. Reduction, as a rule, was effected under general anaes-.

  16. Coupling population dynamics with earth system models: the POPEM model.

    Science.gov (United States)

    Navarro, Andrés; Moreno, Raúl; Jiménez-Alcázar, Alfonso; Tapiador, Francisco J

    2017-09-16

    Precise modeling of CO 2 emissions is important for environmental research. This paper presents a new model of human population dynamics that can be embedded into ESMs (Earth System Models) to improve climate modeling. Through a system dynamics approach, we develop a cohort-component model that successfully simulates historical population dynamics with fine spatial resolution (about 1°×1°). The population projections are used to improve the estimates of CO 2 emissions, thus transcending the bulk approach of existing models and allowing more realistic non-linear effects to feature in the simulations. The module, dubbed POPEM (from Population Parameterization for Earth Models), is compared with current emission inventories and validated against UN aggregated data. Finally, it is shown that the module can be used to advance toward fully coupling the social and natural components of the Earth system, an emerging research path for environmental science and pollution research.

  17. Modeling Shock Induced Plasticity in Copper Single Crystal: Numerical and Strain Localization Issues

    International Nuclear Information System (INIS)

    Shehadeh, M

    2011-01-01

    Multiscale dislocation dynamics plasticity (MDDP) simulations are carried out to address the following issues in modeling shock-induced plasticity: 1- the effect of finite element (FE) boundary conditions on shock wave characteristics and wave-dislocation interaction, 2- the effect of the evolution of the dislocation microstructure on lattice rotation and strain localization. While uniaxial strain is achieved with high accuracy using confined boundary condition, periodic boundary condition yields a disturbed wave profile due the edge effect. Including lattice rotation in the analysis leads to higher dislocation density and more localized plastic strain. (author)

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

    International Nuclear Information System (INIS)

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

    2003-01-01

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

  19. The formation of super-dislocation/micropipe complexes in 6H-SiC

    Energy Technology Data Exchange (ETDEWEB)

    Giocondi, J.; Rohrer, G.S.; Skowronski, M. [Carnegie Mellon Univ., Pittsburgh, PA (United States). Dept. of Materials Science and Engineering; Balakrishna, V.; Augustine, G.; Hobgood, H.McD.; Hopkins, R.H. [Northrop Grumman Science and Technology Center, Pittsburgh PA (United States)

    1998-06-01

    Atomic force microscope images of surface/micropipe intersections on the (0001) growth surface of a 6H-SiC single crystal grown by the physical vapor transport method indicate that micropipes are associated with super-dislocations and that micron-scale deposits of a heterogeneous phase are frequently found in the vicinity of the defect. Based on our observations, we propose a model for the formation of super-dislocation/micropipe complexes that involves the coalescence of unit screw dislocations. The unit dislocations are forced together as large steps grow around heterogeneous material on the surface. (orig.) 5 refs.

  20. Dynamical properties of the Rabi model

    International Nuclear Information System (INIS)

    Hu, Binglu; Zhou, Huili; Chen, Shujie; Xianlong, Gao; Wang, Kelin

    2017-01-01

    We study the dynamical properties of the quantum Rabi model using a systematic expansion method. Based on the observation that the parity symmetry of the Rabi model is kept during evolution of the states, we decompose the initial state and the time-dependent one into positive and negative parity parts expanded by superposition of the coherent states. The evolutions of the corresponding positive and the negative parities are obtained, in which the expansion coefficients in the dynamical equations are known from the derived recurrence relation. (paper)

  1. Dynamic Modeling of ThermoFluid Systems

    DEFF Research Database (Denmark)

    Jensen, Jakob Munch

    2003-01-01

    The objective of the present study has been to developed dynamic models for two-phase flow in pipes (evaporation and condensation). Special attention has been given to modeling evaporators for refrigeration plant particular dry-expansion evaporators. Models of different complexity have been...... formulated. The different models deviate with respect to the detail¿s included and calculation time in connection with simulation. The models have been implemented in a new library named ThermoTwoPhase to the programming language Modelica. A test rig has been built with an evaporator instrumented in a way...

  2. Research on nonlinear stochastic dynamical price model

    International Nuclear Information System (INIS)

    Li Jiaorui; Xu Wei; Xie Wenxian; Ren Zhengzheng

    2008-01-01

    In consideration of many uncertain factors existing in economic system, nonlinear stochastic dynamical price model which is subjected to Gaussian white noise excitation is proposed based on deterministic model. One-dimensional averaged Ito stochastic differential equation for the model is derived by using the stochastic averaging method, and applied to investigate the stability of the trivial solution and the first-passage failure of the stochastic price model. The stochastic price model and the methods presented in this paper are verified by numerical studies

  3. Modelling environmental dynamics. Advances in goematic solutions

    Energy Technology Data Exchange (ETDEWEB)

    Paegelow, Martin [Toulouse-2 Univ., 31 (France). GEODE UMR 5602 CNRS; Camacho Olmedo, Maria Teresa (eds.) [Granada Univ (Spain). Dpto. de Analisis Geografico Regional y Geografia Fisica

    2008-07-01

    Modelling environmental dynamics is critical to understanding and predicting the evolution of the environment in response to the large number of influences including urbanisation, climate change and deforestation. Simulation and modelling provide support for decision making in environmental management. The first chapter introduces terminology and provides an overview of methodological modelling approaches which may be applied to environmental and complex dynamics. Based on this introduction this book illustrates various models applied to a large variety of themes: deforestation in tropical regions, fire risk, natural reforestation in European mountains, agriculture, biodiversity, urbanism, climate change and land management for decision support, etc. These case studies, provided by a large international spectrum of researchers and presented in a uniform structure, focus particularly on methods and model validation so that this book is not only aimed at researchers and graduates but also at professionals. (orig.)

  4. Modeling emotional dynamics : currency versus field.

    Energy Technology Data Exchange (ETDEWEB)

    Sallach, D .L.; Decision and Information Sciences; Univ. of Chicago

    2008-08-01

    Randall Collins has introduced a simplified model of emotional dynamics in which emotional energy, heightened and focused by interaction rituals, serves as a common denominator for social exchange: a generic form of currency, except that it is active in a far broader range of social transactions. While the scope of this theory is attractive, the specifics of the model remain unconvincing. After a critical assessment of the currency theory of emotion, a field model of emotion is introduced that adds expressiveness by locating emotional valence within its cognitive context, thereby creating an integrated orientation field. The result is a model which claims less in the way of motivational specificity, but is more satisfactory in modeling the dynamic interaction between cognitive and emotional orientations at both individual and social levels.

  5. Enabling full-field physics-based optical proximity correction via dynamic model generation

    Science.gov (United States)

    Lam, Michael; Clifford, Chris; Raghunathan, Ananthan; Fenger, Germain; Adam, Kostas

    2017-07-01

    As extreme ultraviolet lithography becomes closer to reality for high volume production, its peculiar modeling challenges related to both inter and intrafield effects have necessitated building an optical proximity correction (OPC) infrastructure that operates with field position dependency. Previous state-of-the-art approaches to modeling field dependency used piecewise constant models where static input models are assigned to specific x/y-positions within the field. OPC and simulation could assign the proper static model based on simulation-level placement. However, in the realm of 7 and 5 nm feature sizes, small discontinuities in OPC from piecewise constant model changes can cause unacceptable levels of edge placement errors. The introduction of dynamic model generation (DMG) can be shown to effectively avoid these dislocations by providing unique mask and optical models per simulation region, allowing a near continuum of models through the field. DMG allows unique models for electromagnetic field, apodization, aberrations, etc. to vary through the entire field and provides a capability to precisely and accurately model systematic field signatures.

  6. [Classification and Treatment of Sacroiliac Joint Dislocation].

    Science.gov (United States)

    Tan, Zhen; Huang, Zhong; Li, Liang; Meng, Wei-Kun; Liu, Lei; Zhang, Hui; Wang, Guang-Lin; Huang, Fu-Guo

    2017-09-01

    To develop a renewed classification and treatment regimen for sacroiliac joint dislocation. According to the direction of dislocation of sacroiliac joint,combined iliac,sacral fractures,and fracture morphology,sacroiliac joint dislocation was classified into 4 types. Type Ⅰ (sacroiliac anterior dislocation): main fracture fragments of posterior iliac wing dislocated in front of sacroiliac joint. Type Ⅱ (sacroiliac posterior dislocation): main fracture fragments of posterior iliac wing dislocated in posterior of sacroiliac joint. Type Ⅲ (Crescent fracturedislocation of the sacroiliac joint): upward dislocation of posterior iliac wing with oblique fracture through posterior iliac wing. Type ⅢA: a large crescent fragment and dislocation comprises no more than onethird of sacroiliac joint,which is typically inferior. Type ⅢB: intermediatesize crescent fragment and dislocation comprises between one and twothirds of joint. Type ⅢC: a small crescent fragment where dislocation comprises most,but not the entire joint. Different treatment regimens were selected for different types of fractures. Treatment for type Ⅰ sacroiliac joint dislocation: anterior iliac fossa approach pry stripping reset; sacroiliac joint fixed with sacroiliac screw through percutaneous. Treatment for type Ⅱ sacroiliac joint dislocation: posterior sacroiliac joint posterior approach; sacroiliac joint fixed with sacroiliac screw under computer guidance. Treatment for type ⅢA and ⅢB sacroiliac joint dislocation: posterior sacroiliac joint approach; sacroiliac joint fixed with reconstruction plate. Treatment for type ⅢC sacroiliac joint dislocation: sacroiliac joint closed reduction; sacroiliac joint fixed with sacroiliac screw through percutaneous. Treatment for type Ⅳ sacroiliac joint dislocation: posterior approach; sacroiliac joint fixed with spinal pelvic fixation. Results of 24 to 72 months patient follow-up (mean 34.5 months): 100% survival,100% wound healing,and 100

  7. Uncertainty propagation in a multiscale model of nanocrystalline plasticity

    International Nuclear Information System (INIS)

    Koslowski, M.; Strachan, Alejandro

    2011-01-01

    We characterize how uncertainties propagate across spatial and temporal scales in a physics-based model of nanocrystalline plasticity of fcc metals. Our model combines molecular dynamics (MD) simulations to characterize atomic-level processes that govern dislocation-based-plastic deformation with a phase field approach to dislocation dynamics (PFDD) that describes how an ensemble of dislocations evolve and interact to determine the mechanical response of the material. We apply this approach to a nanocrystalline Ni specimen of interest in micro-electromechanical (MEMS) switches. Our approach enables us to quantify how internal stresses that result from the fabrication process affect the properties of dislocations (using MD) and how these properties, in turn, affect the yield stress of the metallic membrane (using the PFMM model). Our predictions show that, for a nanocrystalline sample with small grain size (4 nm), a variation in residual stress of 20 MPa (typical in today's microfabrication techniques) would result in a variation on the critical resolved shear yield stress of approximately 15 MPa, a very small fraction of the nominal value of approximately 9 GPa. - Highlights: → Quantify how fabrication uncertainties affect yield stress in a microswitch component. → Propagate uncertainties in a multiscale model of single crystal plasticity. → Molecular dynamics quantifies how fabrication variations affect dislocations. → Dislocation dynamics relate variations in dislocation properties to yield stress.

  8. Medial peritalar fracture dislocation of the talar body

    Directory of Open Access Journals (Sweden)

    Jacob B. Stirton

    2015-04-01

    Full Text Available Peritalar fracture dislocations typically involve the talar neck and are classified according to Hawkins. To our knowledge, peritalar fracture dislocation involving the talar body has not been formally reported. In this article, we describe a case of peritalar fracture dislocation of the talar body. Keywords: Peritalar dislocation, Talus fracture, Talar body fracture dislocation, Medial subtalar dislocation

  9. Modeling initial contact dynamics during ambulation with dynamic simulation.

    Science.gov (United States)

    Meyer, Andrew R; Wang, Mei; Smith, Peter A; Harris, Gerald F

    2007-04-01

    Ankle-foot orthoses are frequently used interventions to correct pathological gait. Their effects on the kinematics and kinetics of the proximal joints are of great interest when prescribing ankle-foot orthoses to specific patient groups. Mathematical Dynamic Model (MADYMO) is developed to simulate motor vehicle crash situations and analyze tissue injuries of the occupants based multibody dynamic theories. Joint kinetics output from an inverse model were perturbed and input to the forward model to examine the effects of changes in the internal sagittal ankle moment on knee and hip kinematics following heel strike. Increasing the internal ankle moment (augmentation, equivalent to gastroc-soleus contraction) produced less pronounced changes in kinematic results at the hip, knee and ankle than decreasing the moment (attenuation, equivalent to gastroc-soleus relaxation). Altering the internal ankle moment produced two distinctly different kinematic curve morphologies at the hip. Decreased internal ankle moments increased hip flexion, peaking at roughly 8% of the gait cycle. Increasing internal ankle moments decreased hip flexion to a lesser degree, and approached normal at the same point in the gait cycle. Increasing the internal ankle moment produced relatively small, well-behaved extension-biased kinematic results at the knee. Decreasing the internal ankle moment produced more substantial changes in knee kinematics towards flexion that increased with perturbation magnitude. Curve morphologies were similar to those at the hip. Immediately following heel strike, kinematic results at the ankle showed movement in the direction of the internal moment perturbation. Increased internal moments resulted in kinematic patterns that rapidly approach normal after initial differences. When the internal ankle moment was decreased, differences from normal were much greater and did not rapidly decrease. This study shows that MADYMO can be successfully applied to accomplish forward

  10. Atomistic simulation of the pinning of edge dislocations in Ni by Ni3Al precipitates

    International Nuclear Information System (INIS)

    Kohler, Christopher; Kizler, Peter; Schmauder, Siegfried

    2005-01-01

    Classical molecular dynamics simulations of the interaction of edge dislocations in Ni with chains of spherical Ni 3 Al precipitates are performed using EAM potentials. The order hardening is investigated at temperature T=0 -bar K by determining the critical resolved shear stresses (CRSSs) for a superdislocation that is dissociated into four partial dislocations. The CRSS is computed as a function of the radius and the distance of the precipitates. It is found that for precipitates with a diameter smaller than the dissociation width of perfect edge dislocation in Ni, the CRSS of the trailing dislocation of the superdislocation is a fraction of about 0.4 of the CRSS of the leading dislocation

  11. Atomic-scale investigation of point defects and hydrogen-solute atmospheres on the edge dislocation mobility in alpha iron

    Energy Technology Data Exchange (ETDEWEB)

    Bhatia, M. A.; Solanki, K. N., E-mail: kiran.solanki@asu.edu [School for Engineering of Matter, Transport, and Energy, Arizona State University, Tempe, Arizona 85287 (United States); Groh, S. [Institute of Mechanics and Fluid Dynamics, TU Bergakademie Freiberg, Freiberg 09556 (Germany)

    2014-08-14

    resistance to dislocation motion as the dislocation moves though the hydrogen-solute atmospheres. With this systematic, atomistic study of the edge dislocation with various point defects, we show significant increase in obstacle strengths in addition to an increase in the local dislocation velocity during interaction with solute atmospheres. The results have implications for constitutive development and modeling of the hydrogen effect on dislocation mobility and deformation in metals.

  12. Anomalous behaviour of screw dislocations in quenched indium antimonide monocrystals

    International Nuclear Information System (INIS)

    Alekseenko, V.I.; Mostovoj, V.M.

    1991-01-01

    Anomalies of screw dislocation mobility in indium antimonide single crystals quenched after annealing were detected experimentally. Taking into accout specific nature of thermal treatment an enhanced attention is paid to the technique of the experiment. It is shown that the observed peculiarities can be explained using a model of thermoactivated movement of excessive bends over stoppers at the dislocation line. Proceeding from the assumption on the nature of stoppers, the values of stopper energy barriers overcome by an excessive bend are determined on the basis of the above model of excessive bend movement

  13. A Stochastic Model for Malaria Transmission Dynamics

    Directory of Open Access Journals (Sweden)

    Rachel Waema Mbogo

    2018-01-01

    Full Text Available Malaria is one of the three most dangerous infectious diseases worldwide (along with HIV/AIDS and tuberculosis. In this paper we compare the disease dynamics of the deterministic and stochastic models in order to determine the effect of randomness in malaria transmission dynamics. Relationships between the basic reproduction number for malaria transmission dynamics between humans and mosquitoes and the extinction thresholds of corresponding continuous-time Markov chain models are derived under certain assumptions. The stochastic model is formulated using the continuous-time discrete state Galton-Watson branching process (CTDSGWbp. The reproduction number of deterministic models is an essential quantity to predict whether an epidemic will spread or die out. Thresholds for disease extinction from stochastic models contribute crucial knowledge on disease control and elimination and mitigation of infectious diseases. Analytical and numerical results show some significant differences in model predictions between the stochastic and deterministic models. In particular, we find that malaria outbreak is more likely if the disease is introduced by infected mosquitoes as opposed to infected humans. These insights demonstrate the importance of a policy or intervention focusing on controlling the infected mosquito population if the control of malaria is to be realized.

  14. Modeling biological pathway dynamics with timed automata.

    Science.gov (United States)

    Schivo, Stefano; Scholma, Jetse; Wanders, Brend; Urquidi Camacho, Ricardo A; van der Vet, Paul E; Karperien, Marcel; Langerak, Rom; van de Pol, Jaco; Post, Janine N

    2014-05-01

    Living cells are constantly subjected to a plethora of environmental stimuli that require integration into an appropriate cellular response. This integration takes place through signal transduction events that form tightly interconnected networks. The understanding of these networks requires capturing their dynamics through computational support and models. ANIMO (analysis of Networks with Interactive Modeling) is a tool that enables the construction and exploration of executable models of biological networks, helping to derive hypotheses and to plan wet-lab experiments. The tool is based on the formalism of Timed Automata, which can be analyzed via the UPPAAL model checker. Thanks to Timed Automata, we can provide a formal semantics for the domain-specific language used to represent signaling networks. This enforces precision and uniformity in the definition of signaling pathways, contributing to the integration of isolated signaling events into complex network models. We propose an approach to discretization of reaction kinetics that allows us to efficiently use UPPAAL as the computational engine to explore the dynamic behavior of the network of interest. A user-friendly interface hides the use of Timed Automata from the user, while keeping the expressive power intact. Abstraction to single-parameter kinetics speeds up construction of models that remain faithful enough to provide meaningful insight. The resulting dynamic behavior of the network components is displayed graphically, allowing for an intuitive and interactive modeling experience.

  15. Dynamic Model Averaging in Large Model Spaces Using Dynamic Occam’s Window*

    Science.gov (United States)

    Onorante, Luca; Raftery, Adrian E.

    2015-01-01

    Bayesian model averaging has become a widely used approach to accounting for uncertainty about the structural form of the model generating the data. When data arrive sequentially and the generating model can change over time, Dynamic Model Averaging (DMA) extends model averaging to deal with this situation. Often in macroeconomics, however, many candidate explanatory variables are available and the number of possible models becomes too large for DMA to be applied in its original form. We propose a new method for this situation which allows us to perform DMA without considering the whole model space, but using a subset of models and dynamically optimizing the choice of models at each point in time. This yields a dynamic form of Occam’s window. We evaluate the method in the context of the problem of nowcasting GDP in the Euro area. We find that its forecasting performance compares well with that of other methods. PMID:26917859

  16. Dynamic Model Averaging in Large Model Spaces Using Dynamic Occam's Window.

    Science.gov (United States)

    Onorante, Luca; Raftery, Adrian E

    2016-01-01

    Bayesian model averaging has become a widely used approach to accounting for uncertainty about the structural form of the model generating the data. When data arrive sequentially and the generating model can change over time, Dynamic Model Averaging (DMA) extends model averaging to deal with this situation. Often in macroeconomics, however, many candidate explanatory variables are available and the number of possible models becomes too large for DMA to be applied in its original form. We propose a new method for this situation which allows us to perform DMA without considering the whole model space, but using a subset of models and dynamically optimizing the choice of models at each point in time. This yields a dynamic form of Occam's window. We evaluate the method in the context of the problem of nowcasting GDP in the Euro area. We find that its forecasting performance compares well with that of other methods.

  17. Irradiation creep induced anisotropy in a/2 dislocation populations

    International Nuclear Information System (INIS)

    Gelles, D.S.

    1984-05-01

    The contribution of anisotropy in Burgers vector distribution to irradiation creep behavior has been largely ignored in irradiation creep models. However, findings on Frank loops suggest that it may be very important. Procedures are defined to identify the orientations of a/2 Burgers vectors for dislocations in face-centered cubic crystals. By means of these procedures the anisotropy in Burgers vector populations was determined for three Nimonic PE16 pressurized tube specimens irradiated under stress. Considerable anisotropy in Burgers vector population develops during irradiation creep. It is inferred that dislocation motion during irradiation creep is restricted primarily to a climb of a/2 dislocations on 100 planes. Effect of these results on irradiation creep modeling and deformation induced irradiation growth is considered

  18. On the mathematical modeling of soccer dynamics

    Science.gov (United States)

    Machado, J. A. Tenreiro; Lopes, António M.

    2017-12-01

    This paper addresses the modeling and dynamical analysis of soccer teams. Two modeling perspectives based on the concepts of fractional calculus are adopted. In the first, the power law behavior and fractional-order integration are explored. In the second, a league season is interpreted in the light of a system where the teams are represented by objects (particles) that evolve in time and interact (collide) at successive rounds with dynamics driven by the outcomes of the matches. The two proposed models embed implicitly details of players and coaches, or strategical and tactical maneuvers during the matches. Therefore, the scale of observation focuses on the teams behavior in the scope of the observed variables. Data characterizing two European soccer leagues in the season 2015-2016 are adopted and processed. The model leads to the emergence of patterns that are analyzed and interpreted.

  19. BWR stability using a reducing dynamical model

    International Nuclear Information System (INIS)

    Ballestrin Bolea, J. M.; Blazquez Martinez, J. B.

    1990-01-01

    BWR stability can be treated with reduced order dynamical models. When the parameters of the model came from dynamical models. When the parameters of the model came from experimental data, the predictions are accurate. In this work an alternative derivation for the void fraction equation is made, but remarking the physical structure of the parameters. As the poles of power/reactivity transfer function are related with the parameters, the measurement of the poles by other techniques such as noise analysis will lead to the parameters, but the system of equations is non-linear. Simple parametric calculation of decay ratio are performed, showing why BWRs become unstable when they are operated at low flow and high power. (Author)

  20. Modelling the Dynamics of Emotional Awareness

    NARCIS (Netherlands)

    Thilakarathne, D.J.; Treur, J.; Schaub, T.

    2014-01-01

    In this paper, based on literature from Cognitive and Affective Neuroscience, a computational agent model is introduced incorporating the role of emotional awareness states in the dynamics of action generation. More specifically, it covers both automatic, unconscious (bottom-up) and more cognitive

  1. Object Oriented Modelling and Dynamical Simulation

    DEFF Research Database (Denmark)

    Wagner, Falko Jens; Poulsen, Mikael Zebbelin

    1998-01-01

    This report with appendix describes the work done in master project at DTU.The goal of the project was to develop a concept for simulation of dynamical systems based on object oriented methods.The result was a library of C++-classes, for use when both building componentbased models and when...

  2. Modeling the population dynamics of Pacific yew.

    Science.gov (United States)

    Richard T. Busing; Thomas A. Spies

    1995-01-01

    A study of Pacific yew (Taxus brevifolia Nutt.) population dynamics in the mountains of western Oregon and Washington was based on a combination of long-term population data and computer modeling. Rates of growth and mortality were low in mature and old-growth forest stands. Diameter growth at breast height ranged from 0 to 3 centimeters per decade...

  3. CFTSIM-ITER dynamic fuel cycle model

    International Nuclear Information System (INIS)

    Busigin, A.; Gierszewski, P.

    1998-01-01

    Dynamic system models have been developed for specific tritium systems with considerable detail and for integrated fuel cycles with lesser detail (e.g. D. Holland, B. Merrill, Analysis of tritium migration and deposition in fusion reactor systems, Proceedings of the Ninth Symposium Eng. Problems of Fusion Research (1981); M.A. Abdou, E. Vold, C. Gung, M. Youssef, K. Shin, DT fuel self-sufficiency in fusion reactors, Fusion Technol. (1986); G. Spannagel, P. Gierszewski, Dynamic tritium inventory of a NET/ITER fuel cycle with lithium salt solution blanket, Fusion Eng. Des. (1991); W. Kuan, M.A. Abdou, R.S. Willms, Dynamic simulation of a proposed ITER tritium processing system, Fusion Technol. (1995)). In order to provide a tool to understand and optimize the behavior of the ITER fuel cycle, a dynamic fuel cycle model called CFTSIM is under development. The CFTSIM code incorporates more detailed ITER models, specifically for the important isotope separation system, and also has an easier-to-use graphical interface. This paper provides an overview of CFTSIM Version 1.0. The models included are those with significant and varying tritium inventories over a test campaign: fueling, plasma and first wall, pumping, fuel cleanup, isotope separation and storage. An illustration of the results is shown. (orig.)

  4. Atomistic simulations of dislocation processes in copper

    DEFF Research Database (Denmark)

    Vegge, T.; Jacobsen, K.W.

    2002-01-01

    We discuss atomistic simulations of dislocation processes in copper based on effective medium theory interatomic potentials. Results on screw dislocation structures and processes are reviewed with particular focus on point defect mobilities and processes involving cross slip. For example......, the stability of screw dislocation dipoles is discussed. We show that the presence of jogs will strongly influence cross slip barriers and dipole stability. We furthermore present some new results on jogged edge dislocations and edge dislocation dipoles. The jogs are found to be extended, and simulations...

  5. An experimental study of dislocation loop nucleation

    International Nuclear Information System (INIS)

    Bounaud, J.Y.; Leteurtre, J.

    1975-01-01

    The nucleation of dislocation loops is experimentally studied by observing the demixion of the Burgers vectors of dislocation loops nucleated in copper whiskers irradiated in flexion by fission fragments at room temperature. The demixion of Burgers vectors is observed by the dimensional effects of dislocation loops: after irradiation, the applied stress is removed; the whisker shows a residual strain that is due to loops because, after an annealing treatment to evaporate dislocation loops, each whisker recovers its initial straight shape. Everywhere along the whisker, the radius of curvature is measured and plotted vs the max. applied stress. Estimations of the interstitial and vacancy dislocation loop nuclei are derived [fr

  6. The quantum Rabi model: solution and dynamics

    International Nuclear Information System (INIS)

    Xie, Qiongtao; Zhong, Honghua; Lee, Chaohong; Batchelor, Murray T

    2017-01-01

    This article presents a review of recent developments on various aspects of the quantum Rabi model. Particular emphasis is given on the exact analytic solution obtained in terms of confluent Heun functions. The analytic solutions for various generalisations of the quantum Rabi model are also discussed. Results are also reviewed on the level statistics and the dynamics of the quantum Rabi model. The article concludes with an introductory overview of several experimental realisations of the quantum Rabi model. An outlook towards future developments is also given. (topical review)

  7. A complete dynamic model of primary sedimentation.

    Science.gov (United States)

    Paraskevas, P; Kolokithas, G; Lekkas, T

    1993-11-01

    A dynamic mathematical model for the primary clarifier of a wastewater treatment plant is described, which is represented by a general tanks-in-series model, to simulate insufficient mixing. The model quantifies successfully the diurnal response of both the suspended and dissolved species. It is general enough, so that the values of the parameters can be replaced with those applicable to a specific case. The model was verified through data from the Biological Centre of Metamorfosi, in Athens, Greece, and can be used to assist in the design of new plants or in the analysis and output predictions of existing ones.

  8. Dynamic Modeling of CDS Index Tranche Spreads

    DEFF Research Database (Denmark)

    Dorn, Jochen

    This paper provides a Market Model which implies a dynamics for standardized CDS index tranche spreads, i.e. tranches which securitise CDS index series and dispose of predefined subordination. This model is useful for pricing options on tranches with future Issue Dates as well as for modeling...... options on structured credit derivatives. With the upcoming regulation of the CDS market in perspective, the model presented here is also an attempt to face the effects on pricing approaches provoked by an eventual Clearing Chamber . It becomes also possible to calibrate Index Tranche Options with bespoke...... tenors/tranche subordination to market data obtained by more liquid Index Tranche Options with standard characteristics....

  9. Uncertainty and its propagation in dynamics models

    International Nuclear Information System (INIS)

    Devooght, J.

    1994-01-01

    The purpose of this paper is to bring together some characteristics due to uncertainty when we deal with dynamic models and therefore to propagation of uncertainty. The respective role of uncertainty and inaccuracy is examined. A mathematical formalism based on Chapman-Kolmogorov equation allows to define a open-quotes subdynamicsclose quotes where the evolution equation takes the uncertainty into account. The problem of choosing or combining models is examined through a loss function associated to a decision

  10. Asymptotic analysis of a pile-up of regular edge dislocation walls

    KAUST Repository

    Hall, Cameron L.

    2011-12-01

    The idealised problem of a pile-up of regular dislocation walls (that is, of planes each containing an infinite number of parallel, identical and equally spaced dislocations) was presented by Roy et al. [A. Roy, R.H.J. Peerlings, M.G.D. Geers, Y. Kasyanyuk, Materials Science and Engineering A 486 (2008) 653-661] as a prototype for understanding the importance of discrete dislocation interactions in dislocation-based plasticity models. They noted that analytic solutions for the dislocation wall density are available for a pile-up of regular screw dislocation walls, but that numerical methods seem to be necessary for investigating regular edge dislocation walls. In this paper, we use the techniques of discrete-to-continuum asymptotic analysis to obtain a detailed description of a pile-up of regular edge dislocation walls. To leading order, we find that the dislocation wall density is governed by a simple differential equation and that boundary layers are present at both ends of the pile-up. © 2011 Elsevier B.V.

  11. Edge dislocations as sinks for sub-nanometric radiation induced defects in α-iron

    Science.gov (United States)

    Anento, N.; Malerba, L.; Serra, A.

    2018-01-01

    The role of edge dislocations as sinks for small radiation induced defects in bcc-Fe is investigated by means of atomistic computer simulation. In this work we investigate by Molecular Statics (T = 0K) the interaction between an immobile dislocation line and defect clusters of small sizes invisible experimentally. The study highlights in particular the anisotropy of the interaction and distinguishes between absorbed and trapped defects. When the considered defect intersects the dislocation glide plane and the distance from the dislocation line to the defect is on the range between 2 nm and 4 nm, either total or partial absorption of the cluster takes place leading to the formation of jogs. Residual defects produced during partial absorption pin the dislocation. By the calculation of stress-strain curves we have assessed the strength of those residues as obstacles for the motion of the dislocation, which is reflected on the unpinning stresses and the binding energies obtained. When the defect is outside this range, but on planes close to the dislocation glide plane, instead of absorption we have observed a capture process. Finally, with a view to introducing explicitly in kinetic Monte Carlo models a sink with the shape of a dislocation line, we have summarized our findings on a table presenting the most relevant parameters, which define the interaction of the dislocation with the defects considered.

  12. Asymptotic analysis of a pile-up of regular edge dislocation walls

    KAUST Repository

    Hall, Cameron L.

    2011-01-01

    The idealised problem of a pile-up of regular dislocation walls (that is, of planes each containing an infinite number of parallel, identical and equally spaced dislocations) was presented by Roy et al. [A. Roy, R.H.J. Peerlings, M.G.D. Geers, Y. Kasyanyuk, Materials Science and Engineering A 486 (2008) 653-661] as a prototype for understanding the importance of discrete dislocation interactions in dislocation-based plasticity models. They noted that analytic solutions for the dislocation wall density are available for a pile-up of regular screw dislocation walls, but that numerical methods seem to be necessary for investigating regular edge dislocation walls. In this paper, we use the techniques of discrete-to-continuum asymptotic analysis to obtain a detailed description of a pile-up of regular edge dislocation walls. To leading order, we find that the dislocation wall density is governed by a simple differential equation and that boundary layers are present at both ends of the pile-up. © 2011 Elsevier B.V.

  13. Dynamic multibody modeling for tethered space elevators

    Science.gov (United States)

    Williams, Paul

    2009-08-01

    This paper presents a fundamental modeling strategy for dealing with powered and propelled bodies moving along space tethers. The tether is divided into a large number of discrete masses, which are connected by viscoelastic springs. The tether is subject to the full range of forces expected in Earth orbit in a relatively simple manner. Two different models of the elevator dynamics are presented. In order to capture the effect of the elevator moving along the tether, the elevator dynamics are included as a separate body in both models. One model treats the elevator's motion dynamically, where propulsive and friction forces are applied to the elevator body. The second model treats the elevator's motion kinematically, where the distance along the tether is determined by adjusting the lengths of tether on either side of the elevator. The tether model is used to determine optimal configurations for the space elevator. A modal analysis of two different configurations is presented which show that the fundamental mode of oscillation is a pendular one around the anchor point with a period on the order of 160 h for the in-plane motion, and 24 h for the out-of-plane motion. Numerical simulation results of the effects of the elevator moving along the cable are presented for different travel velocities and different elevator masses.

  14. Sepsis progression and outcome: a dynamical model

    Directory of Open Access Journals (Sweden)

    Gessler Damian DG

    2006-02-01

    Full Text Available Abstract Background Sepsis (bloodstream infection is the leading cause of death in non-surgical intensive care units. It is diagnosed in 750,000 US patients per annum, and has high mortality. Current understanding of sepsis is predominately observational and correlational, with only a partial and incomplete understanding of the physiological dynamics underlying the syndrome. There exists a need for dynamical models of sepsis progression, based upon basic physiologic principles, which could eventually guide hourly treatment decisions. Results We present an initial mathematical model of sepsis, based on metabolic rate theory that links basic vascular and immunological dynamics. The model includes the rate of vascular circulation, a surrogate for the metabolic rate that is mechanistically associated with disease progression. We use the mass-specific rate of blood circulation (SRBC, a correlate of the body mass index, to build a differential equation model of circulation, infection, organ damage, and recovery. This introduces a vascular component into an infectious disease model that describes the interaction between a pathogen and the adaptive immune system. Conclusion The model predicts that deviations from normal SRBC correlate with disease progression and adverse outcome. We compare the predictions with population mortality data from cardiovascular disease and cancer and show that deviations from normal SRBC correlate with higher mortality rates.

  15. Mineral vein dynamics modeling (FRACS). Phase 1

    Energy Technology Data Exchange (ETDEWEB)

    Urai, J.; Virgo, S.; Arndt, M. [RWTH Aachen (Germany). Geologie-Endogene Dynamik] [and others

    2013-07-15

    The Mineral Vein Dynamics Modeling group ''FRACS'' is a team of 7 research groups from the Universities of Mainz, Aachen, Tuebingen, Karlsruhe, Bayreuth, ETH Zuerich and Glasgow working on an understanding of the dynamic development of fracturing, fluid flow and fracture sealing. World-class field laboratories, especially carbonate sequences from the Oman Mountains are studied and classified. State of the art numerical programs are written, expanded and used to simulate the dynamic interaction of fracturing, flow and resealing and the results are compared with the natural examples. Newest analytical technologies including laser scanning, high resolution X-ray microtomography, fluid inclusion and isotope analysis are performed to understand and compare the results of simulations with natural examples. A new statistical program was developed to classify the natural fracture and vein systems and compare them with dynamic numerical simulations and analytical models. The results of the first project phase are extremely promising. Most of the numerical models have been developed up to the stage where they can be used to simulate the natural examples. The models allow a definition of the first proxies for high fluid pressure and tectonic stresses. It was found out that the Oman Mountains are a complex and very dynamic system that constantly fractures and reseals from the scale of small veins up to the scale of large normal and strike slip faults. The numerical simulations also indicate that the permeability of such systems is not a constant but that the system adjusts to the driving force, for ex-ample high fluid pressure. When the system reseals fast a fluctuating behavior can be observed in the models where the system constantly fractures and reseals, which is in accordance with the observation of the natural laboratory.

  16. Theory of interacting dislocations on cylinders.

    Science.gov (United States)

    Amir, Ariel; Paulose, Jayson; Nelson, David R

    2013-04-01

    We study the mechanics and statistical physics of dislocations interacting on cylinders, motivated by the elongation of rod-shaped bacterial cell walls and cylindrical assemblies of colloidal particles subject to external stresses. The interaction energy and forces between dislocations are solved analytically, and analyzed asymptotically. The results of continuum elastic theory agree well with numerical simulations on finite lattices even for relatively small systems. Isolated dislocations on a cylinder act like grain boundaries. With colloidal crystals in mind, we show that saddle points are created by a Peach-Koehler force on the dislocations in the circumferential direction, causing dislocation pairs to unbind. The thermal nucleation rate of dislocation unbinding is calculated, for an arbitrary mobility tensor and external stress, including the case of a twist-induced Peach-Koehler force along the cylinder axis. Surprisingly rich phenomena arise for dislocations on cylinders, despite their vanishing Gaussian curvature.

  17. Direct modeling for computational fluid dynamics

    Science.gov (United States)

    Xu, Kun

    2015-06-01

    All fluid dynamic equations are valid under their modeling scales, such as the particle mean free path and mean collision time scale of the Boltzmann equation and the hydrodynamic scale of the Navier-Stokes (NS) equations. The current computational fluid dynamics (CFD) focuses on the numerical solution of partial differential equations (PDEs), and its aim is to get the accurate solution of these governing equations. Under such a CFD practice, it is hard to develop a unified scheme that covers flow physics from kinetic to hydrodynamic scales continuously because there is no such governing equation which could make a smooth transition from the Boltzmann to the NS modeling. The study of fluid dynamics needs to go beyond the traditional numerical partial differential equations. The emerging engineering applications, such as air-vehicle design for near-space flight and flow and heat transfer in micro-devices, do require further expansion of the concept of gas dynamics to a larger domain of physical reality, rather than the traditional distinguishable governing equations. At the current stage, the non-equilibrium flow physics has not yet been well explored or clearly understood due to the lack of appropriate tools. Unfortunately, under the current numerical PDE approach, it is hard to develop such a meaningful tool due to the absence of valid PDEs. In order to construct multiscale and multiphysics simulation methods similar to the modeling process of constructing the Boltzmann or the NS governing equations, the development of a numerical algorithm should be based on the first principle of physical modeling. In this paper, instead of following the traditional numerical PDE path, we introduce direct modeling as a principle for CFD algorithm development. Since all computations are conducted in a discretized space with limited cell resolution, the flow physics to be modeled has to be done in the mesh size and time step scales. Here, the CFD is more or less a direct

  18. New concepts for dynamic plant uptake models

    DEFF Research Database (Denmark)

    Rein, Arno; Legind, Charlotte Nielsen; Trapp, Stefan

    2011-01-01

    Models for the prediction of chemical uptake into plants are widely applied tools for human and wildlife exposure assessment, pesticide design and for environmental biotechnology such as phytoremediation. Steady-state considerations are often applied, because they are simple and have a small data...... need. However, often the emission pattern is non-steady. Examples are pesticide spraying, or the application of manure and sewage sludge on agricultural fields. In these scenarios, steady-state solutions are not valid, and dynamic simulation is required. We compared different approaches for dynamic...

  19. A coupled atomistics and discrete dislocation plasticity simulation of nanoindentation into single crystal thin films

    International Nuclear Information System (INIS)

    Miller, Ronald E.; Shilkrot, L.E.; Curtin, William A.

    2004-01-01

    The phenomenon of 2D nanoindentation of circular 'Brinell' indenter into a single crystal metal thin film bonded to a rigid substrate is investigated. The simulation method is the coupled atomistics and discrete dislocation (CADD) model recently developed by the authors. The CADD model couples a continuum region containing any number of discrete dislocations to an atomistic region, and permits accurate, automatic detection and passing of dislocations between the atomistic and continuum regions. The CADD model allows for a detailed study of nanoindentation to large penetration depths (up to 60 A here) using only a small region of atoms just underneath the indenter where dislocation nucleation, cross-slip, and annihilation occur. Indentation of a model hexagonal aluminum crystal shows: (i) the onset of homogeneous dislocation nucleation at points away from the points of maximum resolved shear stress; (ii) size-dependence of the material hardness, (iii) the role of dislocation dissociation on deformation; (iv) reverse plasticity, including nucleation of dislocations on unloading and annihilation; (v) permanent deformation, including surface uplift, after full unloading; (vi) the effects of film thickness on the load-displacement response; and (vii) the differences between displacement and force controlled loading. This application demonstrates the power of the CADD method in capturing both long-range dislocation plasticity and short-range atomistic phenomena. The use of CADD permits for a clear study of the physical and mechanical influence of both complex plastic flow and non-continuum atomistic-level processes on the macroscopic response of material under indentation loading

  20. Statistical models of petrol engines vehicles dynamics

    Science.gov (United States)

    Ilie, C. O.; Marinescu, M.; Alexa, O.; Vilău, R.; Grosu, D.

    2017-10-01

    This paper focuses on studying statistical models of vehicles dynamics. It was design and perform a one year testing program. There were used many same type cars with gasoline engines and different mileage. Experimental data were collected of onboard sensors and those on the engine test stand. A database containing data of 64th tests was created. Several mathematical modelling were developed using database and the system identification method. Each modelling is a SISO or a MISO linear predictive ARMAX (AutoRegressive-Moving-Average with eXogenous inputs) model. It represents a differential equation with constant coefficients. It were made 64th equations for each dependency like engine torque as output and engine’s load and intake manifold pressure, as inputs. There were obtained strings with 64 values for each type of model. The final models were obtained using average values of the coefficients. The accuracy of models was assessed.

  1. Multiphysical simulation analysis of the dislocation structure in germanium single crystals

    Science.gov (United States)

    Podkopaev, O. I.; Artemyev, V. V.; Smirnov, A. D.; Mamedov, V. M.; Sid'ko, A. P.; Kalaev, V. V.; Kravtsova, E. D.; Shimanskii, A. F.

    2016-09-01

    To grow high-quality germanium crystals is one of the most important problems of growth industry. The dislocation density is an important parameter of the quality of single crystals. The dislocation densities in germanium crystals 100 mm in diameter, which have various shapes of the side surface and are grown by the Czochralski technique, are experimentally measured. The crystal growth is numerically simulated using heat-transfer and hydrodynamics models and the Alexander-Haasen dislocation model in terms of the CGSim software package. A comparison of the experimental and calculated dislocation densities shows that the dislocation model can be applied to study lattice defects in germanium crystals and to improve their quality.

  2. Indonesia’s Electricity Demand Dynamic Modelling

    Science.gov (United States)

    Sulistio, J.; Wirabhuana, A.; Wiratama, M. G.

    2017-06-01

    Electricity Systems modelling is one of the emerging area in the Global Energy policy studies recently. System Dynamics approach and Computer Simulation has become one the common methods used in energy systems planning and evaluation in many conditions. On the other hand, Indonesia experiencing several major issues in Electricity system such as fossil fuel domination, demand - supply imbalances, distribution inefficiency, and bio-devastation. This paper aims to explain the development of System Dynamics modelling approaches and computer simulation techniques in representing and predicting electricity demand in Indonesia. In addition, this paper also described the typical characteristics and relationship of commercial business sector, industrial sector, and family / domestic sector as electricity subsystems in Indonesia. Moreover, it will be also present direct structure, behavioural, and statistical test as model validation approach and ended by conclusions.

  3. Friction modelling of preloaded tube contact dynamics

    International Nuclear Information System (INIS)

    Hassan, M.A.; Rogers, R.J.

    2004-01-01

    Many loosely supported components are subjected to flow-induced vibration leading to localized wear. Life prediction depends on robust and accurate modelling of the nonlinear dynamics as the components interact with their supports. The output of such analysis is the component dynamic response and impact forces, including friction forces during stick-slip motions. Such results are used to determine the normal work rates, which are utilized to predict fretting wear damage. Accurate estimates of these parameters are essential. This paper presents simulations of a loosely supported fuel-channel tube subject to turbulence excitation. The effects of tube/support clearance and preload are investigated. Several friction models, including velocity-limited, spring-damper, and force-balance are utilized. A comparison of these models is carried out to investigate their accuracy. The results show good agreement with experimental work rates when a simple iterative procedure to update the friction forces is used. (authors)

  4. Dynamic Circuit Model for Spintronic Devices

    KAUST Repository

    Alawein, Meshal

    2017-01-09

    In this work we propose a finite-difference scheme based circuit model of a general spintronic device and benchmark it with other models proposed for spintronic switching devices. Our model is based on the four-component spin circuit theory and utilizes the widely used coupled stochastic magnetization dynamics/spin transport framework. In addition to the steady-state analysis, this work offers a transient analysis of carrier transport. By discretizing the temporal and spatial derivatives to generate a linear system of equations, we derive new and simple finite-difference conductance matrices that can, to the first order, capture both static and dynamic behaviors of a spintronic device. We also discuss an extension of the spin modified nodal analysis (SMNA) for time-dependent situations based on the proposed scheme.

  5. Dynamic Circuit Model for Spintronic Devices

    KAUST Repository

    Alawein, Meshal; Fariborzi, Hossein

    2017-01-01

    In this work we propose a finite-difference scheme based circuit model of a general spintronic device and benchmark it with other models proposed for spintronic switching devices. Our model is based on the four-component spin circuit theory and utilizes the widely used coupled stochastic magnetization dynamics/spin transport framework. In addition to the steady-state analysis, this work offers a transient analysis of carrier transport. By discretizing the temporal and spatial derivatives to generate a linear system of equations, we derive new and simple finite-difference conductance matrices that can, to the first order, capture both static and dynamic behaviors of a spintronic device. We also discuss an extension of the spin modified nodal analysis (SMNA) for time-dependent situations based on the proposed scheme.

  6. Dynamic Intellectual Capital Model in a Company

    Directory of Open Access Journals (Sweden)

    Vladimir Shatrevich

    2015-06-01

    Full Text Available The aim of this paper is to indicate the relations between company’s value added (VA and intangible assets. Authors declare that Intellectual capital (IC is one of the most relevant intangibles for a company, and the concept with measurement, and the relation with value creation is necessary for modern markets. Since relationship between IC elements and VA are complicated, this paper is aimed to create a usable dynamic model for building company’s value added through intellectual capital. The model is incorporating that outputs from IC elements are not homogeneously received and made some contributions to dynamic nature of IC relation and VA. Variables that will help companies to evaluate contribution of each element of IC are added to the model. This paper emphasizes the importance of a company’s IC and the positive interaction between them in generating profits for company.

  7. Friction modelling of preloaded tube contact dynamics

    International Nuclear Information System (INIS)

    Hassan, M.A.; Rogers, R.J.

    2005-01-01

    Many loosely supported components are subjected to flow-induced vibration leading to localized wear. Life prediction depends on robust and accurate modelling of the nonlinear dynamics as the components interact with their supports. The output of such analysis is the component dynamic response and impact forces, including friction forces during stick-slip motions. Such results are used to determine the normal work rates, which are utilized to predict fretting wear damage. Accurate estimates of these parameters are essential. This paper presents simulations of a loosely supported fuel-channel tube subject to turbulence excitation. The effects of tube/support clearance and preload are investigated. Several friction models, including velocity-limited, spring-damper and force-balance are utilized. A comparison of these models is carried out to investigate their accuracy. The results show good agreement with experimental work rates when a simple iterative procedure to update the friction forces is used

  8. Traffic flow dynamics data, models and simulation

    CERN Document Server

    Treiber, Martin

    2013-01-01

    This textbook provides a comprehensive and instructive coverage of vehicular traffic flow dynamics and modeling. It makes this fascinating interdisciplinary topic, which to date was only documented in parts by specialized monographs, accessible to a broad readership. Numerous figures and problems with solutions help the reader to quickly understand and practice the presented concepts. This book is targeted at students of physics and traffic engineering and, more generally, also at students and professionals in computer science, mathematics, and interdisciplinary topics. It also offers material for project work in programming and simulation at college and university level. The main part, after presenting different categories of traffic data, is devoted to a mathematical description of the dynamics of traffic flow, covering macroscopic models which describe traffic in terms of density, as well as microscopic many-particle models in which each particle corresponds to a vehicle and its driver. Focus chapters on ...

  9. Complex networks under dynamic repair model

    Science.gov (United States)

    Chaoqi, Fu; Ying, Wang; Kun, Zhao; Yangjun, Gao

    2018-01-01

    Invulnerability is not the only factor of importance when considering complex networks' security. It is also critical to have an effective and reasonable repair strategy. Existing research on network repair is confined to the static model. The dynamic model makes better use of the redundant capacity of repaired nodes and repairs the damaged network more efficiently than the static model; however, the dynamic repair model is complex and polytropic. In this paper, we construct a dynamic repair model and systematically describe the energy-transfer relationships between nodes in the repair process of the failure network. Nodes are divided into three types, corresponding to three structures. We find that the strong coupling structure is responsible for secondary failure of the repaired nodes and propose an algorithm that can select the most suitable targets (nodes or links) to repair the failure network with minimal cost. Two types of repair strategies are identified, with different effects under the two energy-transfer rules. The research results enable a more flexible approach to network repair.

  10. Collisional model for granular impact dynamics.

    Science.gov (United States)

    Clark, Abram H; Petersen, Alec J; Behringer, Robert P

    2014-01-01

    When an intruder strikes a granular material from above, the grains exert a stopping force which decelerates and stops the intruder. Many previous studies have used a macroscopic force law, including a drag force which is quadratic in velocity, to characterize the decelerating force on the intruder. However, the microscopic origins of the force-law terms are still a subject of debate. Here, drawing from previous experiments with photoelastic particles, we present a model which describes the velocity-squared force in terms of repeated collisions with clusters of grains. From our high speed photoelastic data, we infer that "clusters" correspond to segments of the strong force network that are excited by the advancing intruder. The model predicts a scaling relation for the velocity-squared drag force that accounts for the intruder shape. Additionally, we show that the collisional model predicts an instability to rotations, which depends on the intruder shape. To test this model, we perform a comprehensive experimental study of the dynamics of two-dimensional granular impacts on beds of photoelastic disks, with different profiles for the leading edge of the intruder. We particularly focus on a simple and useful case for testing shape effects by using triangular-nosed intruders. We show that the collisional model effectively captures the dynamics of intruder deceleration and rotation; i.e., these two dynamical effects can be described as two different manifestations of the same grain-scale physical processes.

  11. Next Generation Carbon-Nitrogen Dynamics Model

    Science.gov (United States)

    Xu, C.; Fisher, R. A.; Vrugt, J. A.; Wullschleger, S. D.; McDowell, N. G.

    2012-12-01

    Nitrogen is a key regulator of vegetation dynamics, soil carbon release, and terrestrial carbon cycles. Thus, to assess energy impacts on the global carbon cycle and future climates, it is critical that we have a mechanism-based and data-calibrated nitrogen model that simulates nitrogen limitation upon both above and belowground carbon dynamics. In this study, we developed a next generation nitrogen-carbon dynamic model within the NCAR Community Earth System Model (CESM). This next generation nitrogen-carbon dynamic model utilized 1) a mechanistic model of nitrogen limitation on photosynthesis with nitrogen trade-offs among light absorption, electron transport, carboxylation, respiration and storage; 2) an optimal leaf nitrogen model that links soil nitrogen availability and leaf nitrogen content; and 3) an ecosystem demography (ED) model that simulates the growth and light competition of tree cohorts and is currently coupled to CLM. Our three test cases with changes in CO2 concentration, growing temperature and radiation demonstrate the model's ability to predict the impact of altered environmental conditions on nitrogen allocations. Currently, we are testing the model against different datasets including soil fertilization and Free Air CO2 enrichment (FACE) experiments across different forest types. We expect that our calibrated model will considerably improve our understanding and predictability of vegetation-climate interactions.itrogen allocation model evaluations. The figure shows the scatter plots of predicted and measured Vc,max and Jmax scaled to 25 oC (i.e.,Vc,max25 and Jmax25) at elevated CO2 (570 ppm, test case one), reduced radiation in canopy (0.1-0.9 of the radiation at the top of canopy, test case two) and reduced growing temperature (15oC, test case three). The model is first calibrated using control data under ambient CO2 (370 ppm), radiation at the top of the canopy (621 μmol photon/m2/s), the normal growing temperature (30oC). The fitted model

  12. Arthroscopic treatment of acromioclavicular dislocation

    Directory of Open Access Journals (Sweden)

    Mihai T. Gavrilă

    2017-11-01

    Full Text Available A thorough understanding of biomechanical function of both acromioclavicular (AC and coracoclavicular (CC ligaments, stimulated surgeons to repair high-grade AC dislocation using arthroscopic technique. This technique necessitates a clear understanding of shoulder anatomy, especially of the structures in proximity to the clavicle and coracoid process and experiences in arthroscopic surgery. The follow case describes an arthroscopic technique used to treat AC dislocation in young man 30 years old, who suffered an injury at right shoulder. Results were similar to those obtained using open surgery and this encouraged us to continue utilization of this method. As a conclusion, arthroscopic treatment of AC separation is one of the best options as surgical treatment. Early results suggested that immediate anatomic reduction of an acute AC separation usually provides satisfactory clinical results at intermediate-term follow-up.

  13. Analysing the temporal dynamics of model performance for hydrological models

    NARCIS (Netherlands)

    Reusser, D.E.; Blume, T.; Schaefli, B.; Zehe, E.

    2009-01-01

    The temporal dynamics of hydrological model performance gives insights into errors that cannot be obtained from global performance measures assigning a single number to the fit of a simulated time series to an observed reference series. These errors can include errors in data, model parameters, or

  14. An introduction to modeling neuronal dynamics

    CERN Document Server

    Börgers, Christoph

    2017-01-01

    This book is intended as a text for a one-semester course on Mathematical and Computational Neuroscience for upper-level undergraduate and beginning graduate students of mathematics, the natural sciences, engineering, or computer science. An undergraduate introduction to differential equations is more than enough mathematical background. Only a slim, high school-level background in physics is assumed, and none in biology. Topics include models of individual nerve cells and their dynamics, models of networks of neurons coupled by synapses and gap junctions, origins and functions of population rhythms in neuronal networks, and models of synaptic plasticity. An extensive online collection of Matlab programs generating the figures accompanies the book. .

  15. Dislocation damping during irradiation

    International Nuclear Information System (INIS)

    Burdett, C.F.; Rahmatalla, H.

    1977-01-01

    The results of Simpson et al (Simpson, H.M., Sosin, A., Johnston, D.F., Phys.Rev. B, 5:1393 (1972)) on the damping produced during electron irradiation of copper are re-examined and it is shown that they can be explained in terms of the model of Granato and Lucke (Granato, A., Lucke, K., J.Appl.Phys., 27:583,789 (1958)). (author)

  16. Five challenges in modelling interacting strain dynamics

    Directory of Open Access Journals (Sweden)

    Paul S. Wikramaratna

    2015-03-01

    Full Text Available Population epidemiological models where hosts can be infected sequentially by different strains have the potential to help us understand many important diseases. Researchers have in recent years started to develop and use such models, but the extra layer of complexity from multiple strains brings with it many technical challenges. It is therefore hard to build models which have realistic assumptions yet are tractable. Here we outline some of the main challenges in this area. First we begin with the fundamental question of how to translate from complex small-scale dynamics within a host to useful population models. Next we consider the nature of so-called “strain space”. We describe two key types of host heterogeneities, and explain how models could help generate a better understanding of their effects. Finally, for diseases with many strains, we consider the challenge of modelling how immunity accumulates over multiple exposures.

  17. 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.

  18. Surface stress mediated image force and torque on an edge dislocation

    Science.gov (United States)

    Raghavendra, R. M.; Divya, Iyer, Ganesh; Kumar, Arun; Subramaniam, Anandh

    2018-07-01

    The proximity of interfaces gives prominence to image forces experienced by dislocations. The presence of surface stress alters the traction-free boundary conditions existing on free-surfaces and hence is expected to alter the magnitude of the image force. In the current work, using a combined simulation of surface stress and an edge dislocation in a semi-infinite body, we evaluate the configurational effects on the system. We demonstrate that if the extra half-plane of the edge dislocation is parallel to the surface, the image force (glide) is not altered due to surface stress; however, the dislocation experiences a torque. The surface stress breaks the 'climb image force' symmetry, thus leading to non-equivalence between positive and negative climb. We discover an equilibrium position for the edge dislocation in the positive 'climb geometry', arising due to a competition between the interaction of the dislocation stress fields with the surface stress and the image dislocation. Torque in the climb configuration is not affected by surface stress (remains zero). Surface stress is computed using a recently developed two-scale model based on Shuttleworth's idea and image forces using a finite element model developed earlier. The effect of surface stress on the image force and torque experienced by the dislocation monopole is analysed using illustrative 3D models.

  19. Modeling the dynamic characteristics of pneumatic muscle.

    Science.gov (United States)

    Reynolds, D B; Repperger, D W; Phillips, C A; Bandry, G

    2003-03-01

    A pneumatic muscle (PM) system was studied to determine whether a three-element model could describe its dynamics. As far as the authors are aware, this model has not been used to describe the dynamics of PM. A new phenomenological model consists of a contractile (force-generating) element, spring element, and damping element in parallel. The PM system was investigated using an apparatus that allowed precise and accurate actuation pressure (P) control by a linear servo-valve. Length change of the PM was measured by a linear potentiometer. Spring and damping element functions of P were determined by a static perturbation method at several constant P values. These results indicate that at constant P, PM behaves as a spring and damper in parallel. The contractile element function of P was determined by the response to a step input in P, using values of spring and damping elements from the perturbation study. The study showed that the resulting coefficient functions of the three-element model describe the dynamic response to the step input of P accurately, indicating that the static perturbation results can be applied to the dynamic case. This model is further validated by accurately predicting the contraction response to a triangular P waveform. All three elements have pressure-dependent coefficients for pressure P in the range 207 < or = P < or = 621 kPa (30 < or = P < or = 90 psi). Studies with a step decrease in P (relaxation of the PM) indicate that the damping element coefficient is smaller during relaxation than contraction.

  20. ITER Dynamic Tritium Inventory Modeling Code

    International Nuclear Information System (INIS)

    Cristescu, Ioana-R.; Doerr, L.; Busigin, A.; Murdoch, D.

    2005-01-01

    A tool for tritium inventory evaluation within each sub-system of the Fuel Cycle of ITER is vital, with respect to both the process of licensing ITER and also for operation. It is very likely that measurements of total tritium inventories may not be possible for all sub-systems, however tritium accounting may be achieved by modeling its hold-up within each sub-system and by validating these models in real-time against the monitored flows and tritium streams between the systems. To get reliable results, an accurate dynamic modeling of the tritium content in each sub-system is necessary. In order to optimize the configuration and operation of the ITER fuel cycle, a dynamic fuel cycle model was developed progressively in the decade up to 2000-2001. As the design for some sub-systems from the fuel cycle (i.e. Vacuum pumping, Neutral Beam Injectors (NBI)) have substantially progressed meanwhile, a new code developed under a different platform to incorporate these modifications has been developed. The new code is taking over the models and algorithms for some subsystems, such as Isotope Separation System (ISS); where simplified models have been previously considered, more detailed have been introduced, as for the Water Detritiation System (WDS). To reflect all these changes, the new code developed inside EU participating team was nominated TRIMO (Tritium Inventory Modeling), to emphasize the use of the code on assessing the tritium inventory within ITER

  1. Simple mathematical models of gene regulatory dynamics

    CERN Document Server

    Mackey, Michael C; Tyran-Kamińska, Marta; Zeron, Eduardo S

    2016-01-01

    This is a short and self-contained introduction to the field of mathematical modeling of gene-networks in bacteria. As an entry point to the field, we focus on the analysis of simple gene-network dynamics. The notes commence with an introduction to the deterministic modeling of gene-networks, with extensive reference to applicable results coming from dynamical systems theory. The second part of the notes treats extensively several approaches to the study of gene-network dynamics in the presence of noise—either arising from low numbers of molecules involved, or due to noise external to the regulatory process. The third and final part of the notes gives a detailed treatment of three well studied and concrete examples of gene-network dynamics by considering the lactose operon, the tryptophan operon, and the lysis-lysogeny switch. The notes contain an index for easy location of particular topics as well as an extensive bibliography of the current literature. The target audience of these notes are mainly graduat...

  2. Annihilation of interstitial-type dislocation loops in α-Fe during He irradiation

    International Nuclear Information System (INIS)

    Xu, Q.; Wang, Y.X.; Katakabe, Y.; Iwakiri, H.; Yoshida, N.; Sato, K.; Yoshiie, T.

    2011-01-01

    Interstitial-type dislocation loops were formed in Fe-9Cr alloys on irradiation with 1-MeV He ions at 673 K. However, with increasing irradiation dose, the dislocation loops shrunk. A molecular dynamics simulation was used to elucidate the mechanism of this unexpected phenomenon. The simulation shows that, although the binding energy of a self-interstitial atom to a dislocation loop is normally greater than that of a vacancy, the energy hierarchy is reversed when He atoms decorate the loop. This may indicates preferential absorption of vacancies, causing loop shrinkage at high doses, consistent with experimental observation.

  3. Annihilation of interstitial-type dislocation loops in {alpha}-Fe during He irradiation

    Energy Technology Data Exchange (ETDEWEB)

    Xu, Q., E-mail: xu@rri.kyoto-u.ac.jp [Research Reactor Institute, Kyoto University, Osaka 590-0494 (Japan); Wang, Y.X. [Institute of Modern Physics, Fudan University, Shanghai 200433 (China); Katakabe, Y. [Research Institute for Applied Mechanics, Kyushu University, Fukuoka 816-8580 (Japan); Iwakiri, H. [Faculty of Education, University of the Ryukyus, Okinawa 903-0213 (Japan); Yoshida, N. [Research Institute for Applied Mechanics, Kyushu University, Fukuoka 816-8580 (Japan); Sato, K.; Yoshiie, T. [Research Reactor Institute, Kyoto University, Osaka 590-0494 (Japan)

    2011-10-01

    Interstitial-type dislocation loops were formed in Fe-9Cr alloys on irradiation with 1-MeV He ions at 673 K. However, with increasing irradiation dose, the dislocation loops shrunk. A molecular dynamics simulation was used to elucidate the mechanism of this unexpected phenomenon. The simulation shows that, although the binding energy of a self-interstitial atom to a dislocation loop is normally greater than that of a vacancy, the energy hierarchy is reversed when He atoms decorate the loop. This may indicates preferential absorption of vacancies, causing loop shrinkage at high doses, consistent with experimental observation.

  4. Impact of Various Charge States of Hydrogen on Passivation of Dislocation in Silicon

    Science.gov (United States)

    Song, Lihui; Lou, Jingjing; Fu, Jiayi; Ji, Zhenguo

    2018-03-01

    Dislocation, one of typical crystallographic defects in silicon, is detrimental to the minority carrier lifetime of silicon wafer. Hydrogen passivation is able to reduce the recombination activity of dislocation, however, the passivation efficacy is strongly dependent on the experimental conditions. In this paper, a model based on the theory of hydrogen charge state control is proposed to explain the passivation efficacy of dislocation correlated to the peak temperature of thermal annealing and illumination intensity. Experimental results support the prediction of the model that a mix of positively charged hydrogen and negatively charged hydrogen at certain ratio can maximise the passivation efficacy of dislocation, leading to a better power conversion efficiency of silicon solar cell with dislocation in it.

  5. Modeling of Dynamic Responses in Building Insulation

    Directory of Open Access Journals (Sweden)

    Anna Antonyová

    2015-10-01

    Full Text Available In this research a measurement systemwas developedfor monitoring humidity and temperature in the cavity between the wall and the insulating material in the building envelope. This new technology does not disturb the insulating material during testing. The measurement system can also be applied to insulation fixed ten or twenty years earlier and sufficiently reveals the quality of the insulation. A mathematical model is proposed to characterize the dynamic responses in the cavity between the wall and the building insulation as influenced by weather conditions.These dynamic responses are manifested as a delay of both humidity and temperature changes in the cavity when compared with the changes in the ambient surrounding of the building. The process is then modeled through numerical methods and statistical analysis of the experimental data obtained using the new system of measurement.

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

    Science.gov (United States)

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

    2018-01-01

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

  7. Diffraction contrast STEM of dislocations: Imaging and simulations

    International Nuclear Information System (INIS)

    Phillips, P.J.; Brandes, M.C.; Mills, M.J.; De Graef, M.

    2011-01-01

    The application of scanning transmission electron microscopy (STEM) to crystalline defect analysis has been extended to dislocations. The present contribution highlights the use of STEM on two oppositely signed sets of near-screw dislocations in hcp α-Ti with 6 wt% Al in solid solution. In addition to common systematic row diffraction conditions, other configurations such as zone axis and 3g imaging are explored, and appear to be very useful not only for defect analysis, but for general defect observation. It is demonstrated that conventional TEM rules for diffraction contrast such as g.b and g.R are applicable in STEM. Experimental and computational micrographs of dislocations imaged in the aforementioned modes are presented. -- Highlights: → STEM defect analysis has been extended to include dislocations. → Systematic row, zone axis and 3g diffraction conditions are all found to be useful for general defect observations in STEM mode. → Conventional contrast visibility rules for diffraction contrast are found to remain valid for STEM observations. → Multi-beam dynamical scattering matrix simulations provide excellent agreement with experimental images.

  8. Dynamic energy-demand models. A comparison

    International Nuclear Information System (INIS)

    Yi, Feng

    2000-01-01

    This paper compares two second-generation dynamic energy demand models, a translog (TL) and a general Leontief (GL), in the study of price elasticities and factor substitutions of nine Swedish manufacturing industries: food, textiles, wood, paper, printing, chemicals, non-metallic minerals, base metals and machinery. Several model specifications are tested with likelihood ratio test. There is a disagreement on short-run adjustments; the TL model accepts putty-putty production technology of immediate adjustments, implying equal short- and long-run price elasticities of factors, while the GL model rejects immediate adjustments, giving out short-run elasticities quite different from the long-run. The two models also disagree in substitutability in many cases. 21 refs

  9. The dynamic radiation environment assimilation model (DREAM)

    International Nuclear Information System (INIS)

    Reeves, Geoffrey D.; Koller, Josef; Tokar, Robert L.; Chen, Yue; Henderson, Michael G.; Friedel, Reiner H.

    2010-01-01

    The Dynamic Radiation Environment Assimilation Model (DREAM) is a 3-year effort sponsored by the US Department of Energy to provide global, retrospective, or real-time specification of the natural and potential nuclear radiation environments. The DREAM model uses Kalman filtering techniques that combine the strengths of new physical models of the radiation belts with electron observations from long-term satellite systems such as GPS and geosynchronous systems. DREAM includes a physics model for the production and long-term evolution of artificial radiation belts from high altitude nuclear explosions. DREAM has been validated against satellites in arbitrary orbits and consistently produces more accurate results than existing models. Tools for user-specific applications and graphical displays are in beta testing and a real-time version of DREAM has been in continuous operation since November 2009.

  10. Molecular dynamics modeling of polymer flammability

    International Nuclear Information System (INIS)

    Nyden, M.R.; Brown, J.E.; Lomakin, S.M.

    1992-01-01

    Molecular dynamic simulations were used to identify factors which promote char formation during the thermal degradation of polymers. Computer movies based on these simulations, indicate that cross-linked model polymers tend to undergo further cross-linking when burned, eventually forming a high molecular weight, thermally stable char. This paper reports that the prediction was confirmed by char yield measurements made on γ and e - -irradiated polyethylene and chemically cross-linked poly(methyl methacrylate)

  11. Dynamical chaos and beam-beam models

    International Nuclear Information System (INIS)

    Izrailev, F.M.

    1990-01-01

    Some aspects of the nonlinear dynamics of beam-beam interaction for simple one-dimensional and two-dimensional models of round and flat beams are discussed. The main attention is paid to the stochasticity threshold due to the overlapping of nonlinear resonances. The peculiarities of a round beam are investigated in view of using the round beams in storage rings to get high luminosity. 16 refs.; 7 figs

  12. Dynamical Model for Indoor Radon Concentration Monitoring

    Czech Academy of Sciences Publication Activity Database

    Brabec, Marek; Jílek, K.

    2009-01-01

    Roč. 20, č. 6 (2009), s. 718-729 ISSN 1180-4009. [TIES 2007. Annual Meeting of the International Environmental Society /18./. Mikulov, 16.08.2007-20.08.2007] Institutional research plan: CEZ:AV0Z10300504 Keywords : non-parametric regression * dynamic modeling * time-varying coefficients Subject RIV: BB - Applied Statistics, Operational Research Impact factor: 1.000, year: 2009

  13. Dynamical symmetries of the shell model

    International Nuclear Information System (INIS)

    Van Isacker, P.

    2000-01-01

    The applications of spectrum generating algebras and of dynamical symmetries in the nuclear shell model are many and varied. They stretch back to Wigner's early work on the supermultiplet model and encompass important landmarks in our understanding of the structure of the atomic nucleus such as Racah's SU(2) pairing model and Elliot's SU(3) rotational model. One of the aims of this contribution has been to show the historical importance of the idea of dynamical symmetry in nuclear physics. Another has been to indicate that, in spite of being old, this idea continues to inspire developments that are at the forefront of today's research in nuclear physics. It has been argued in this contribution that the main driving features of nuclear structure can be represented algebraically but at the same time the limitations of the symmetry approach must be recognised. It should be clear that such approach can only account for gross properties and that any detailed description requires more involved numerical calculations of which we have seen many fine examples during this symposium. In this way symmetry techniques can be used as an appropriate starting point for detailed calculations. A noteworthy example of this approach is the pseudo-SU(3) model which starting from its initial symmetry Ansatz has grown into an adequate and powerful description of the nucleus in terms of a truncated shell model. (author)

  14. A model for nuclear research reactor dynamics

    Energy Technology Data Exchange (ETDEWEB)

    Barati, Ramin, E-mail: Barati.ramin@aut.ac.ir; Setayeshi, Saeed, E-mail: setayesh@aut.ac.ir

    2013-09-15

    Highlights: • A thirty-fourth order model is used to simulate the dynamics of a research reactor. • We consider delayed neutrons fraction as a function of time. • Variable fuel and temperature reactivity coefficients are used. • WIMS, BORGES and CITVAP codes are used for initial condition calculations. • Results are in agreement with experimental data rather than common codes. -- Abstract: In this paper, a useful thirty-fourth order model is presented to simulate the kinetics and dynamics of a research reactor core. The model considers relevant physical phenomena that govern the core such as reactor kinetics, reactivity feedbacks due to coolant and fuel temperatures (Doppler effects) with variable reactivity coefficients, xenon, samarium, boron concentration, fuel burn up and thermal hydraulics. WIMS and CITVAP codes are used to extract neutron cross sections and calculate the initial neuron flux respectively. The purpose is to present a model with results similar to reality as much as possible with reducing common simplifications in reactor modeling to be used in different analyses such as reactor control, functional reliability and safety. The model predictions are qualified by comparing with experimental data, detailed simulations of reactivity insertion transients, and steady state for Tehran research reactor reported in the literature and satisfactory results have been obtained.

  15. New method dynamically models hydrocarbon fractionation

    Energy Technology Data Exchange (ETDEWEB)

    Kesler, M.G.; Weissbrod, J.M.; Sheth, B.V. [Kesler Engineering, East Brunswick, NJ (United States)

    1995-10-01

    A new method for calculating distillation column dynamics can be used to model time-dependent effects of independent disturbances for a range of hydrocarbon fractionation. It can model crude atmospheric and vacuum columns, with relatively few equilibrium stages and a large number of components, to C{sub 3} splitters, with few components and up to 300 equilibrium stages. Simulation results are useful for operations analysis, process-control applications and closed-loop control in petroleum, petrochemical and gas processing plants. The method is based on an implicit approach, where the time-dependent variations of inventory, temperatures, liquid and vapor flows and compositions are superimposed at each time step on the steady-state solution. Newton-Raphson (N-R) techniques are then used to simultaneously solve the resulting finite-difference equations of material, equilibrium and enthalpy balances that characterize distillation dynamics. The important innovation is component-aggregation and tray-aggregation to contract the equations without compromising accuracy. This contraction increases the N-R calculations` stability. It also significantly increases calculational speed, which is particularly important in dynamic simulations. This method provides a sound basis for closed-loop, supervisory control of distillation--directly or via multivariable controllers--based on a rigorous, phenomenological column model.

  16. Dynamic analysis of a parasite population model

    Science.gov (United States)

    Sibona, G. J.; Condat, C. A.

    2002-03-01

    We study the dynamics of a model that describes the competitive interaction between an invading species (a parasite) and its antibodies in an living being. This model was recently used to examine the dynamical competition between Tripanosoma cruzi and its antibodies during the acute phase of Chagas' disease. Depending on the antibody properties, the model yields three types of outcomes, corresponding, respectively, to healing, chronic disease, and host death. Here, we study the dynamics of the parasite-antibody interaction with the help of simulations, obtaining phase trajectories and phase diagrams for the system. We show that, under certain conditions, the size of the parasite inoculation can be crucial for the infection outcome and that a retardation in the stimulated production of an antibody species may result in the parasite gaining a definitive advantage. We also find a criterion for the relative sizes of the parameters that are required if parasite-generated decoys are indeed to help the invasion. Decoys may also induce a qualitatively different outcome: a limit cycle for the antibody-parasite population phase trajectories.

  17. Strain field mapping of dislocations in a Ge/Si heterostructure.

    Directory of Open Access Journals (Sweden)

    Quanlong Liu

    Full Text Available Ge/Si heterostructure with fully strain-relaxed Ge film was grown on a Si (001 substrate by using a two-step process by ultra-high vacuum chemical vapor deposition. The dislocations in the Ge/Si heterostructure were experimentally investigated by high-resolution transmission electron microscopy (HRTEM. The dislocations at the Ge/Si interface were identified to be 90° full-edge dislocations, which are the most efficient way for obtaining a fully relaxed Ge film. The only defect found in the Ge epitaxial film was a 60° dislocation. The nanoscale strain field of the dislocations was mapped by geometric phase analysis technique from the HRTEM image. The strain field around the edge component of the 60° dislocation core was compared with those of the Peierls-Nabarro and Foreman dislocation models. Comparison results show that the Foreman model with a = 1.5 can describe appropriately the strain field around the edge component of a 60° dislocation core in a relaxed Ge film on a Si substrate.

  18. Strain field mapping of dislocations in a Ge/Si heterostructure.

    Science.gov (United States)

    Liu, Quanlong; Zhao, Chunwang; Su, Shaojian; Li, Jijun; Xing, Yongming; Cheng, Buwen

    2013-01-01

    Ge/Si heterostructure with fully strain-relaxed Ge film was grown on a Si (001) substrate by using a two-step process by ultra-high vacuum chemical vapor deposition. The dislocations in the Ge/Si heterostructure were experimentally investigated by high-resolution transmission electron microscopy (HRTEM). The dislocations at the Ge/Si interface were identified to be 90° full-edge dislocations, which are the most efficient way for obtaining a fully relaxed Ge film. The only defect found in the Ge epitaxial film was a 60° dislocation. The nanoscale strain field of the dislocations was mapped by geometric phase analysis technique from the HRTEM image. The strain field around the edge component of the 60° dislocation core was compared with those of the Peierls-Nabarro and Foreman dislocation models. Comparison results show that the Foreman model with a = 1.5 can describe appropriately the strain field around the edge component of a 60° dislocation core in a relaxed Ge film on a Si substrate.

  19. Simple Models for the Dynamic Modeling of Rotating Tires

    Directory of Open Access Journals (Sweden)

    J.C. Delamotte

    2008-01-01

    Full Text Available Large Finite Element (FE models of tires are currently used to predict low frequency behavior and to obtain dynamic model coefficients used in multi-body models for riding and comfort. However, to predict higher frequency behavior, which may explain irregular wear, critical rotating speeds and noise radiation, FE models are not practical. Detailed FE models are not adequate for optimization and uncertainty predictions either, as in such applications the dynamic solution must be computed a number of times. Therefore, there is a need for simpler models that can capture the physics of the tire and be used to compute the dynamic response with a low computational cost. In this paper, the spectral (or continuous element approach is used to derive such a model. A circular beam spectral element that takes into account the string effect is derived, and a method to simulate the response to a rotating force is implemented in the frequency domain. The behavior of a circular ring under different internal pressures is investigated using modal and frequency/wavenumber representations. Experimental results obtained with a real untreaded truck tire are presented and qualitatively compared with the simple model predictions with good agreement. No attempt is made to obtain equivalent parameters for the simple model from the real tire results. On the other hand, the simple model fails to represent the correct variation of the quotient of the natural frequency by the number of circumferential wavelengths with the mode count. Nevertheless, some important features of the real tire dynamic behavior, such as the generation of standing waves and part of the frequency/wavenumber behavior, can be investigated using the proposed simplified model.

  20. Left Dislocation and its translation in some Germanic languages ...

    African Journals Online (AJOL)

    In terms of the theoretical framework of an influential recent model of Bible translation, Left Dislocation (=LD) can be regarded as a “communicate clue” that translators must try to interpretively resemble in their target text translation. This exploratory study investigates how twenty translations (fifteen English, three Afrikaans, ...

  1. Critical shear stress produced by interaction of edge dislocation with ...

    Indian Academy of Sciences (India)

    According to the Mott and Nabarro's model, the contribution to the critical shear stress of the material caused by the interaction between edge dislocations and nanoscale cylindrical inhomogeneities with interface stresses is obtained. The influence of the radius and the volume fraction of the inhomogeneity as well as the ...

  2. Dynamical model of birdsong maintenance and control

    Science.gov (United States)

    Abarbanel, Henry D. I.; Talathi, Sachin S.; Mindlin, Gabriel; Rabinovich, Misha; Gibb, Leif

    2004-11-01

    The neuroethology of song learning, production, and maintenance in songbirds presents interesting similarities to human speech. We have developed a biophysical model of the manner in which song could be maintained in adult songbirds. This model may inform us about the human counterpart to these processes. In songbirds, signals generated in nucleus High Vocal center (HVc) follow a direct route along a premotor pathway to the robust nucleus of the archistriatum (RA) as well as an indirect route to RA through the anterior forebrain pathway (AFP): the neurons of RA are innervated from both sources. HVc expresses very sparse bursts of spikes having interspike intervals of about 2ms . The expressions of these bursts arrive at the RA with a time difference ΔT≈50±10ms between the two pathways. The observed combination of AMPA and NMDA receptors at RA projection neurons suggests that long-term potentiation and long-term depression can both be induced by spike timing plasticity through the pairing of the HVc and AFP signals. We present a dynamical model that stabilizes this synaptic plasticity through a feedback from the RA to the AFP using known connections. The stabilization occurs dynamically and is absent when the RA→AFP connection is removed. This requires a dynamical selection of ΔT . The model does this, and ΔT lies within the observed range. Our model represents an illustration of a functional consequence of activity-dependent plasticity directly connected with neuroethological observations. Within the model the parameters of the AFP, and thus the magnitude of ΔT , can also be tuned to an unstable regime. This means that destabilization might be induced by neuromodulation of the AFP.

  3. Carpal ligamentous laxity with bilateral perilunate dislocation in Marfan syndrome

    Energy Technology Data Exchange (ETDEWEB)

    Pennes, D R; Braunstein, E M; Shirazi, K K

    1985-01-01

    A case of persistent bilateral perilunate dislocation unrelated to trauma in a patient with Marfan syndrome is discussed. This finding is believed to be a manifestation of the generalized ligamentous laxity occurring in this disorder. Radiographs of eight additional Marfan syndrome patients failed to demonstrate similar carpal instability. Because some carpal derangements are dynamic events, stress views or wrist fluoroscopy may be necessary to demonstrate unsuspected carpal instability in Marfan patients.

  4. Carpal ligamentous laxity with bilateral perilunate dislocation in Marfan syndrome

    International Nuclear Information System (INIS)

    Pennes, D.R.; Braunstein, E.M.; Shirazi, K.K.

    1985-01-01

    A case of persistent bilateral perilunate dislocation unrelated to trauma in a patient with Marfan syndrome is discussed. This finding is believed to be a manifestation of the generalized ligamentous laxity occurring in this disorder. Radiographs of eight additional Marfan syndrome patients failed to demonstrate similar carpal instability. Because some carpal derangements are dynamic events, stress views or wrist fluoroscopy may be necessary to demonstrate unsuspected carpal instability in Marfan patients. (orig.)

  5. Nonparametric modeling of dynamic functional connectivity in fmri data

    DEFF Research Database (Denmark)

    Nielsen, Søren Føns Vind; Madsen, Kristoffer H.; Røge, Rasmus

    2015-01-01

    dynamic changes. The existing approaches modeling dynamic connectivity have primarily been based on time-windowing the data and k-means clustering. We propose a nonparametric generative model for dynamic FC in fMRI that does not rely on specifying window lengths and number of dynamic states. Rooted...

  6. Chancroid transmission dynamics: a mathematical modeling approach.

    Science.gov (United States)

    Bhunu, C P; Mushayabasa, S

    2011-12-01

    Mathematical models have long been used to better understand disease transmission dynamics and how to effectively control them. Here, a chancroid infection model is presented and analyzed. The disease-free equilibrium is shown to be globally asymptotically stable when the reproduction number is less than unity. High levels of treatment are shown to reduce the reproduction number suggesting that treatment has the potential to control chancroid infections in any given community. This result is also supported by numerical simulations which show a decline in chancroid cases whenever the reproduction number is less than unity.

  7. Population Model with a Dynamic Food Supply

    Science.gov (United States)

    Dickman, Ronald; da Silva Nascimento, Jonas

    2009-09-01

    We propose a simple population model including the food supply as a dynamic variable. In the model, survival of an organism depends on a certain minimum rate of food consumption; a higher rate of consumption is required for reproduction. We investigate the stationary behavior under steady food input, and the transient behavior of growth and decay when food is present initially but is not replenished. Under a periodic food supply, the system exhibits period-doubling bifurcations and chaos in certain ranges of the reproduction rate. Bifurcations and chaos are favored by a slow reproduction rate and a long period of food-supply oscillation.

  8. In-situ transmission electron microscopy study of glissile grain boundary dislocation relaxation in a near Σ = 3 {1 1 1} grain boundary in copper

    International Nuclear Information System (INIS)

    Couzinie, J.P.; Decamps, B.; Boulanger, L.; Priester, L.

    2005-01-01

    An in-situ annealing experiment has been performed on an intergranular dislocation configuration composed only of glissile grain boundary dislocations observed in a near Σ = 3 {1 1 1} grain boundary in copper. Relaxation phenomena are not obvious than those predicted by theoretical models. Upon annealing, glissile intergranular dislocations are shown to overcome dislocation obstacles by node movement leading to a decrease of the total grain boundary energy

  9. Conceptual Model of Dynamic Geographic Environment

    Directory of Open Access Journals (Sweden)

    Martínez-Rosales Miguel Alejandro

    2014-04-01

    Full Text Available In geographic environments, there are many and different types of geographic entities such as automobiles, trees, persons, buildings, storms, hurricanes, etc. These entities can be classified into two groups: geographic objects and geographic phenomena. By its nature, a geographic environment is dynamic, thus, it’s static modeling is not sufficient. Considering the dynamics of geographic environment, a new type of geographic entity called event is introduced. The primary target is a modeling of geographic environment as an event sequence, because in this case the semantic relations are much richer than in the case of static modeling. In this work, the conceptualization of this model is proposed. It is based on the idea to process each entity apart instead of processing the environment as a whole. After that, the so called history of each entity and its spatial relations to other entities are defined to describe the whole environment. The main goal is to model systems at a conceptual level that make use of spatial and temporal information, so that later it can serve as the semantic engine for such systems.

  10. Modeling the Dynamic Digestive System Microbiome

    Directory of Open Access Journals (Sweden)

    Anne M. Estes

    2015-08-01

    Full Text Available “Modeling the Dynamic Digestive System Microbiome” is a hands-on activity designed to demonstrate the dynamics of microbiome ecology using dried pasta and beans to model disturbance events in the human digestive system microbiome. This exercise demonstrates how microbiome diversity is influenced by: 1 niche availability and habitat space and 2 a major disturbance event, such as antibiotic use. Students use a pictorial key to examine prepared models of digestive system microbiomes to determine what the person with the microbiome “ate.” Students then model the effect of taking antibiotics by removing certain “antibiotic sensitive” pasta. Finally, they add in “environmental microbes” or “native microbes” to recolonize the digestive system, determine how resilient their model microbome community is to disturbance, and discuss the implications. Throughout the exercise, students discuss differences in the habitat space available and microbiome community diversity. This exercise can be modified to discuss changes in the microbiome due to diet shifts and the emergence of antibiotic resistance in more depth.

  11. Quadratic tracer dynamical models tobacco growth

    International Nuclear Information System (INIS)

    Qiang Jiyi; Hua Cuncai; Wang Shaohua

    2011-01-01

    In order to study the non-uniformly transferring process of some tracer dosages, we assume that the absorption of some tracer by tobacco is a quadratic function of the tracer quantity of the tracer in the case of fast absorption, whereas the exclusion of the tracer from tobacco is a linear function of the tracer quantity in the case of slow exclusion, after the tracer is introduced into tobacco once at zero time. A single-compartment quadratic dynamical model of Logistic type is established for the leaves of tobacco. Then, a two-compartment quadratic dynamical model is established for leaves and calms of the tobacco. Qualitative analysis of the models shows that the tracer applied to the leaves of the tobacco is excluded finally; however, the tracer stays at the tobacco for finite time. Two methods are also given for computing the parameters in the models. Finally, the results of the models are verified by the 32 P experiment for the absorption of tobacco. (authors)

  12. A multiscale model for virus capsid dynamics.

    Science.gov (United States)

    Chen, Changjun; Saxena, Rishu; Wei, Guo-Wei

    2010-01-01

    Viruses are infectious agents that can cause epidemics and pandemics. The understanding of virus formation, evolution, stability, and interaction with host cells is of great importance to the scientific community and public health. Typically, a virus complex in association with its aquatic environment poses a fabulous challenge to theoretical description and prediction. In this work, we propose a differential geometry-based multiscale paradigm to model complex biomolecule systems. In our approach, the differential geometry theory of surfaces and geometric measure theory are employed as a natural means to couple the macroscopic continuum domain of the fluid mechanical description of the aquatic environment from the microscopic discrete domain of the atomistic description of the biomolecule. A multiscale action functional is constructed as a unified framework to derive the governing equations for the dynamics of different scales. We show that the classical Navier-Stokes equation for the fluid dynamics and Newton's equation for the molecular dynamics can be derived from the least action principle. These equations are coupled through the continuum-discrete interface whose dynamics is governed by potential driven geometric flows.

  13. A Multiscale Model for Virus Capsid Dynamics

    Directory of Open Access Journals (Sweden)

    Changjun Chen

    2010-01-01

    Full Text Available Viruses are infectious agents that can cause epidemics and pandemics. The understanding of virus formation, evolution, stability, and interaction with host cells is of great importance to the scientific community and public health. Typically, a virus complex in association with its aquatic environment poses a fabulous challenge to theoretical description and prediction. In this work, we propose a differential geometry-based multiscale paradigm to model complex biomolecule systems. In our approach, the differential geometry theory of surfaces and geometric measure theory are employed as a natural means to couple the macroscopic continuum domain of the fluid mechanical description of the aquatic environment from the microscopic discrete domain of the atomistic description of the biomolecule. A multiscale action functional is constructed as a unified framework to derive the governing equations for the dynamics of different scales. We show that the classical Navier-Stokes equation for the fluid dynamics and Newton's equation for the molecular dynamics can be derived from the least action principle. These equations are coupled through the continuum-discrete interface whose dynamics is governed by potential driven geometric flows.

  14. Growth kinetics of dislocation loops in irradiated ceramic materials

    International Nuclear Information System (INIS)

    Ryazanov, A.I.; Kinoshita, C.

    2002-01-01

    Ceramic materials are expected to be applied in the future fusion reactor as radio frequency (RF) windows, toroidal insulating breaks and diagnostic probes. The radiation resistance of ceramic materials, degradation of the electrical properties and radiation induced conductivity of these materials under neutron irradiation are determined by the kinetics of the accumulation of point defects in the matrix and point defect cluster formation (dislocation loops, voids, etc.). Under irradiation, due to the ionization process, excitation of electronic subsystem and covalent type of interaction between atoms the point defects in ceramic materials are characterized by the charge state (e.g. an F + center, an oxygen vacancy with a single trapped electron) and the effective charge. For the investigation of radiation resistance of ceramic materials for future fusion applications it is very important to understand the physical mechanisms of formation and growth of dislocation loops and voids under irradiation taking into account in this system the effective charge of point defects. In the present paper the physical mechanisms of dislocation loop growth in ceramic material are investigated. For this aim a theoretical model is suggested for the description of the kinetics of point defect accumulation in the matrix taking into account the charge state of the point defects and the effect of an electric field on diffusion migration process of charged point defects. A self-consistent system of kinetic equations describing the generation of electrical fields near dislocation loops and diffusion migration of charged point defects in elastic and electrical fields is formulated. The solution of the kinetic equations allows to find the growth rate of dislocation loops in ceramic materials under irradiation taking into account the charge state of the point defects and the effect of electric and elastic stress fields near dislocation loop on the diffusion processes

  15. Traumatic hip dislocation: early MRI findings

    International Nuclear Information System (INIS)

    Laorr, A.; Greenspan, A.; Anderson, M.W.; Moehring, H.D.; McKinley, T.

    1995-01-01

    Objective of this study was to present the spectrum of early magnetic resonance imaging (MRI) findings following traumatic dislocation of the femoral head, and to identify any associated injuries. Prospective MRI of both hips was performed on 18 patients within 5 weeks of a traumatic femoral head dislocation. The interval between the time of injury and the imaging studies ranged from 2 to 35 days. Posterior dislocation was present in 14 patients and anterior dislocation in 4 patients. In the majority of cases, we performed axial T1, coronal T1, and coronal T2 * (MPGR) sequences. MRI can effectively identify and quantify the muscle injury and joint effusion that invariably accompany traumatic hip dislocations. It is also useful for demonstrating trabecular bone contusion (trabecular injury) and iliofemoral ligament injury, which occur commonly with acute hip dislocation. (orig./VHE)

  16. Atraumatic Anterior Dislocation of the Hip Joint

    Directory of Open Access Journals (Sweden)

    Tadahiko Ohtsuru

    2015-01-01

    Full Text Available Dislocation of the hip joint in adults is usually caused by high-energy trauma such as road traffic accidents or falls from heights. Posterior dislocation is observed in most cases. However, atraumatic anterior dislocation of the hip joint is extremely rare. We present a case of atraumatic anterior dislocation of the hip joint that was induced by an activity of daily living. The possible causes of this dislocation were anterior capsule insufficiency due to developmental dysplasia of the hip, posterior pelvic tilt following thoracolumbar kyphosis due to vertebral fracture, and acetabular anterior coverage changes by postural factor. Acetabular anterior coverage changes in the sagittal plane were measured using a tomosynthesis imaging system. This system was useful for elucidation of the dislocation mechanism in the present case.

  17. Effects of dislocations on electron channeling

    International Nuclear Information System (INIS)

    George, Juby; Pathak, A P

    2009-01-01

    The phenomenon of electron channeling in a crystal affected by dislocations is considered. Earlier we had considered the quantum aspects of the positron channeling in a crystal bent by dislocations where the effects of longitudinal motion of the particle were also considered along with the transverse motion. In this paper, the effective potential for the electron case is found for the two regions of dislocation-affected channel. There is considerable shift in the potential minima due to dislocations. The frequency and the corresponding spectrum of the channeling radiation due to electrons channeling through the perfect channel and the two regions of dislocation-affected channels are calculated. The spectral distribution of radiation intensity changes with the parameters of dislocation. The continuity of wavefunctions and their derivatives is used at the three boundaries and the reflection and transmission coefficients are found using these boundary conditions in the same way as in the positron case.

  18. On dislocation inhomogeneity of electroerosion crater zone in molybdenum single crystals

    International Nuclear Information System (INIS)

    Larikov, L.N.; Dubovitskaya, N.V.; Zakharov, S.M.

    1979-01-01

    Methods of diffraction electron microscopy, X-ray analysis and microhardness measurements have been applied to study the inhomogeneity of dislocation structure of the electroerosion crater zone in molybdenum single crystals. Microhardness inhomogeneous distribution in this zone is established, conditioned by changes in dislocation structure as a result of the development of thermally activated processes of the plastic deformation and dynamic recovery. Dislocationless channels are detected in predeformed crystals

  19. AFDM: An Advanced Fluid-Dynamics Model

    International Nuclear Information System (INIS)

    Bohl, W.R.; Parker, F.R.; Wilhelm, D.; Goutagny, L.; Ninokata, H.

    1990-09-01

    AFDM, or the Advanced Fluid-Dynamics Model, is a computer code that investigates new approaches simulating the multiphase-flow fluid-dynamics aspects of severe accidents in fast reactors. The AFDM formalism starts with differential equations similar to those in the SIMMER-II code. These equations are modified to treat three velocity fields and supplemented with a variety of new models. The AFDM code has 12 topologies describing what material contacts are possible depending on the presence or absence of a given material in a computational cell, on the dominant liquid, and on the continuous phase. Single-phase, bubbly, churn-turbulent, cellular, and dispersed flow regimes are permitted for the pool situations modeled. Virtual mass terms are included for vapor in liquid-continuous flow. Interfacial areas between the continuous and discontinuous phases are convected to allow some tracking of phenomenological histories. Interfacial areas are also modified by models of nucleation, dynamic forces, turbulence, flashing, coalescence, and mass transfer. Heat transfer is generally treated using engineering correlations. Liquid-vapor phase transitions are handled with the nonequilibrium, heat-transfer-limited model, whereas melting and freezing processes are based on equilibrium considerations. Convection is treated using a fractional-step method of time integration, including a semi-implicit pressure iteration. A higher-order differencing option is provided to control numerical diffusion. The Los Alamos SESAME equation-of-state has been implemented using densities and temperatures as the independent variables. AFDM programming has vectorized all computational loops consistent with the objective of producing an exportable code. 24 refs., 4 figs

  20. Mathematical modeling and applications in nonlinear dynamics

    CERN Document Server

    Merdan, Hüseyin

    2016-01-01

    The book covers nonlinear physical problems and mathematical modeling, including molecular biology, genetics, neurosciences, artificial intelligence with classical problems in mechanics and astronomy and physics. The chapters present nonlinear mathematical modeling in life science and physics through nonlinear differential equations, nonlinear discrete equations and hybrid equations. Such modeling can be effectively applied to the wide spectrum of nonlinear physical problems, including the KAM (Kolmogorov-Arnold-Moser (KAM)) theory, singular differential equations, impulsive dichotomous linear systems, analytical bifurcation trees of periodic motions, and almost or pseudo- almost periodic solutions in nonlinear dynamical systems. Provides methods for mathematical models with switching, thresholds, and impulses, each of particular importance for discontinuous processes Includes qualitative analysis of behaviors on Tumor-Immune Systems and methods of analysis for DNA, neural networks and epidemiology Introduces...

  1. Dynamical models of happiness with fractional order

    Science.gov (United States)

    Song, Lei; Xu, Shiyun; Yang, Jianying

    2010-03-01

    This present study focuses on a dynamical model of happiness described through fractional-order differential equations. By categorizing people of different personality and different impact factor of memory (IFM) with different set of model parameters, it is demonstrated via numerical simulations that such fractional-order models could exhibit various behaviors with and without external circumstance. Moreover, control and synchronization problems of this model are discussed, which correspond to the control of emotion as well as emotion synchronization in real life. This study is an endeavor to combine the psychological knowledge with control problems and system theories, and some implications for psychotherapy as well as hints of a personal approach to life are both proposed.

  2. Modeling Computer Virus and Its Dynamics

    Directory of Open Access Journals (Sweden)

    Mei Peng

    2013-01-01

    Full Text Available Based on that the computer will be infected by infected computer and exposed computer, and some of the computers which are in suscepitible status and exposed status can get immunity by antivirus ability, a novel coumputer virus model is established. The dynamic behaviors of this model are investigated. First, the basic reproduction number R0, which is a threshold of the computer virus spreading in internet, is determined. Second, this model has a virus-free equilibrium P0, which means that the infected part of the computer disappears, and the virus dies out, and P0 is a globally asymptotically stable equilibrium if R01 then this model has only one viral equilibrium P*, which means that the computer persists at a constant endemic level, and P* is also globally asymptotically stable. Finally, some numerical examples are given to demonstrate the analytical results.

  3. Rare Inferior Shoulder Dislocation (Luxatio Erecta)

    OpenAIRE

    Cift, Hakan; Soylemez, Salih; Demiroglu, Murat; Ozkan, Korhan; Ozden, Vahit Emre; Ozkut, Afsar T.

    2015-01-01

    Although shoulder dislocations have been seen very frequently, inferior dislocation of shoulder constitutes only 0.5% of all shoulder dislocations. We share our 4 patients with luxatio erecta and present their last clinical control. 2 male and 2 female Caucasian patients were diagnosed as luxatio erecta. Patients’ ages were 78, 62, 65, and 76. All patients’ reduction was done by traction-abduction and contour traction maneuver in the operating room. The patients had no symptoms and no limitat...

  4. Dislocation density changes in nickel under creep

    International Nuclear Information System (INIS)

    Moiseeva, I.V.; Okrainets, P.N.; Pishchak, V.K.

    1984-01-01

    Variation in dislocation density was studied in the process of nickel creep p at t=900 deg c and σ=2 kgf/mm 2 . The dislocation structure was studied independently by the X-ray technique and transmission electron-microscopy. The e two methods show good conformity of results by comparison. It is concluded that independent determination of dislocation density under creep is possible us sing the X-ray technique

  5. Piles of dislocation loops in real crystals

    International Nuclear Information System (INIS)

    Dubinko, V.I.; Turkin, A.A.; Yanovskij, V.V.

    1985-01-01

    Behaviour of piles of dislocation loops in crystals was studied in order to define metal swelling under irradiation. Energy of pile interaction with point defects and intrinsic pile energy are studied in the framework of the linear elasticity theory. Preference of dislocation pile calculated in the paper decreases with radiation dose hence, material swelling rate also decreases. Creation of conditions, which assume an existence of piles of dislocation loops being stable under irradiation, is of particular interest

  6. Imaging findings of anterior hip dislocations

    Energy Technology Data Exchange (ETDEWEB)

    Pfeifer, Kyle [Mallinckrodt Institute of Radiology, Department of Radiology, St. Louis, MO (United States); Leslie, Michael [Yale School of Medicine, Department of Orthopedics and Rehabilitation, New Haven, CT (United States); Menn, Kirsten; Haims, Andrew [Yale University School of Medicine, Department of Radiology and Biomedical Imaging, New Haven, CT (United States)

    2017-06-15

    Anterior hip dislocations are rare orthopedic emergencies resulting from high-energy trauma and have unique imaging characteristics on radiography, computed tomography (CT), and magnetic resonance imaging (MRI). Imaging findings on CT and MRI allow for the prompt recognition and classification of anterior hip dislocations, which guides patient management and reduces complications. The purpose of this article is to review imaging findings of anterior hip dislocations, specifically focusing on CT and MRI. (orig.)

  7. Dislocation climb and interstitial loop growth under cascade damage irradiation

    International Nuclear Information System (INIS)

    Woo, C.H.; Semenov, A.A.

    1993-01-01

    The effects of intracascade clustering and recombination in radiation damage have been considered previously in semiquantitative calculations involving vacancy accumulation at voids, within the concept of production bias. To model void swelling and microstructural evolution quantitatively, similar effects on dislocation climb and interstitial loop growth have to be considered. In this regard, at elevated temperatures (such as in the peak-swelling temperature regime), the concentration of freely migrating vacancies is much higher than that of the interstitials, owing to the evaporation from the primary vacancy clusters (i.e. those produced by intracascade clustering). It is not immediately obvious how the dislocations can be net interstitials sinks, and hence that the observed nucleation and growth of the interstitial loops at elevated temperatures can be correctly predicted as in the conventional theory. To address these basic questions, a rate theory model is formulated in this paper, which describes the dislocation climb and loop growth in the presence of intracascade primary clusters. Within this model, conservation equations for the concentrations and average radii of the two kinds of primary cluster are derived, and the corresponding steady-state concentrations and average radii are calculated. From this, the dislocation climb velocity and interstitial loop growth rate are calculated. On the basis of the results of this calculation, some of the basic questions of production bias are discussed. (Author)

  8. Continuous Time Dynamic Contraflow Models and Algorithms

    Directory of Open Access Journals (Sweden)

    Urmila Pyakurel

    2016-01-01

    Full Text Available The research on evacuation planning problem is promoted by the very challenging emergency issues due to large scale natural or man-created disasters. It is the process of shifting the maximum number of evacuees from the disastrous areas to the safe destinations as quickly and efficiently as possible. Contraflow is a widely accepted model for good solution of evacuation planning problem. It increases the outbound road capacity by reversing the direction of roads towards the safe destination. The continuous dynamic contraflow problem sends the maximum number of flow as a flow rate from the source to the sink in every moment of time unit. We propose the mathematical model for the continuous dynamic contraflow problem. We present efficient algorithms to solve the maximum continuous dynamic contraflow and quickest continuous contraflow problems on single source single sink arbitrary networks and continuous earliest arrival contraflow problem on single source single sink series-parallel networks with undefined supply and demand. We also introduce an approximation solution for continuous earliest arrival contraflow problem on two-terminal arbitrary networks.

  9. Dynamic restoration mechanism and physically based constitutive model of 2050 Al–Li alloy during hot compression

    Energy Technology Data Exchange (ETDEWEB)

    Zhu, Ruihua; Liu, Qing [School of Materials Science and Engineering, Central South University, Changsha 410083 (China); Li, Jinfeng, E-mail: lijinfeng@csu.edu.cn [School of Materials Science and Engineering, Central South University, Changsha 410083 (China); Xiang, Sheng [School of Materials Science and Engineering, Central South University, Changsha 410083 (China); Chen, Yonglai; Zhang, Xuhu [Aerospace Research Institute of Materials and Processing Technology, Beijing 100076 (China)

    2015-11-25

    Dynamic restoration mechanism of 2050 Al–Li alloy and its constitutive model were investigated by means of hot compression simulation in the deformation temperature ranging from 340 to 500 °C and at strain rates of 0.001–10 s{sup −1}. The microstructures of the compressed samples were observed using optical microscopy and transmission electron microscopy. On the base of dislocation density theory and Avrami kinetics, a physically based constitutive model was established. The results show that dynamic recovery (DRV) and dynamic recrystallization (DRX) are co-responsible for the dynamic restoration during the hot compression process under all compression conditions. The dynamic precipitation (DPN) of T1 and σ phases was observed after the deformation at 340 °C. This is the first experimental evidence for the DPN of σ phase in Al–Cu–Li alloys. The particle stimulated nucleation of DRX (PSN-DRX) due to the large Al–Cu–Mn particle was also observed. The error analysis suggests that the established constitutive model can adequately describe the flow stress dependence on strain rate, temperature and strain during the hot deformation process. - Highlights: • The experimental evidence for the DPN of σ phase in Al–Cu–Li alloys was found. • The PSN-DRX due to the large Al–Cu–Mn particle was observed. • A novel method was proposed to calculated the stress multiplier α.

  10. Disclinations, dislocations, and continuous defects: A reappraisal

    Science.gov (United States)

    Kleman, M.; Friedel, J.

    2008-01-01

    Disclinations were first observed in mesomorphic phases. They were later found relevant to a number of ill-ordered condensed-matter media involving continuous symmetries or frustrated order. Disclinations also appear in polycrystals at the edges of grain boundaries; but they are of limited interest in solid single crystals, where they can move only by diffusion climb and, owing to their large elastic stresses, mostly appear in close pairs of opposite signs. The relaxation mechanisms associated with a disclination in its creation, motion, and change of shape involve an interplay with continuous or quantized dislocations and/or continuous disclinations. These are attached to the disclinations or are akin to Nye’s dislocation densities, which are particularly well suited for consideration here. The notion of an extended Volterra process is introduced, which takes these relaxation processes into account and covers different situations where this interplay takes place. These concepts are illustrated by a variety of applications in amorphous solids, mesomorphic phases, and frustrated media in their curved habit space. These often involve disclination networks with specific node conditions. The powerful topological theory of line defects considers only defects stable against any change of boundary conditions or relaxation processes compatible with the structure considered. It can be seen as a simplified case of the approach considered here, particularly suited for media of high plasticity or/and complex structures. It cannot analyze the dynamical properties of defects nor the elastic constants involved in their static properties; topological stability cannot guarantee energetic stability, and sometimes cannot distinguish finer details of the structure of defects.

  11. Advances in dynamic network modeling in complex transportation systems

    CERN Document Server

    Ukkusuri, Satish V

    2013-01-01

    This book focuses on the latest in dynamic network modeling, including route guidance and traffic control in transportation systems and other complex infrastructure networks. Covers dynamic traffic assignment, flow modeling, mobile sensor deployment and more.

  12. Dynamic crack propagation through nanoporous media

    Science.gov (United States)

    Nguyen, Thao; Wilkerson, Justin

    2015-06-01

    The deformation and failure of nanoporous metals may be considerably different than that of more traditional bulk porous metals. The length scales in traditional bulk porous metals are typically large enough for classic plasticity and buckling to be operative. However, the extremely small length scales associated with nanoporous metals may inhibit classic plasticity mechanisms. Here, we motivate an alternative nanovoid growth mechanism mediated by dislocation emission. Following an approach similar to Lubarda and co-workers, we make use of stability arguments applied to the analytic solutions of the elastic interactions of dislocations and voids to derive a simple stress-based criterion for emission activation. We then propose a dynamic nanovoid growth law that is motivated by the kinetics of dislocation emission. The resulting failure model is implemented into a commercial finite element software to simulate dynamic crack growth. The simulations reveal that crack propagation through a nanoporous media proceeds at somewhat faster velocities than through the more traditional bulk porous metal.

  13. OFFl Models: Novel Schema for Dynamical Modeling of Biological Systems.

    Science.gov (United States)

    Ogbunugafor, C Brandon; Robinson, Sean P

    2016-01-01

    Flow diagrams are a common tool used to help build and interpret models of dynamical systems, often in biological contexts such as consumer-resource models and similar compartmental models. Typically, their usage is intuitive and informal. Here, we present a formalized version of flow diagrams as a kind of weighted directed graph which follow a strict grammar, which translate into a system of ordinary differential equations (ODEs) by a single unambiguous rule, and which have an equivalent representation as a relational database. (We abbreviate this schema of "ODEs and formalized flow diagrams" as OFFL.) Drawing a diagram within this strict grammar encourages a mental discipline on the part of the modeler in which all dynamical processes of a system are thought of as interactions between dynamical species that draw parcels from one or more source species and deposit them into target species according to a set of transformation rules. From these rules, the net rate of change for each species can be derived. The modeling schema can therefore be understood as both an epistemic and practical heuristic for modeling, serving both as an organizational framework for the model building process and as a mechanism for deriving ODEs. All steps of the schema beyond the initial scientific (intuitive, creative) abstraction of natural observations into model variables are algorithmic and easily carried out by a computer, thus enabling the future development of a dedicated software implementation. Such tools would empower the modeler to consider significantly more complex models than practical limitations might have otherwise proscribed, since the modeling framework itself manages that complexity on the modeler's behalf. In this report, we describe the chief motivations for OFFL, carefully outline its implementation, and utilize a range of classic examples from ecology and epidemiology to showcase its features.

  14. OFFl Models: Novel Schema for Dynamical Modeling of Biological Systems.

    Directory of Open Access Journals (Sweden)

    C Brandon Ogbunugafor

    Full Text Available Flow diagrams are a common tool used to help build and interpret models of dynamical systems, often in biological contexts such as consumer-resource models and similar compartmental models. Typically, their usage is intuitive and informal. Here, we present a formalized version of flow diagrams as a kind of weighted directed graph which follow a strict grammar, which translate into a system of ordinary differential equations (ODEs by a single unambiguous rule, and which have an equivalent representation as a relational database. (We abbreviate this schema of "ODEs and formalized flow diagrams" as OFFL. Drawing a diagram within this strict grammar encourages a mental discipline on the part of the modeler in which all dynamical processes of a system are thought of as interactions between dynamical species that draw parcels from one or more source species and deposit them into target species according to a set of transformation rules. From these rules, the net rate of change for each species can be derived. The modeling schema can therefore be understood as both an epistemic and practical heuristic for modeling, serving both as an organizational framework for the model building process and as a mechanism for deriving ODEs. All steps of the schema beyond the initial scientific (intuitive, creative abstraction of natural observations into model variables are algorithmic and easily carried out by a computer, thus enabling the future development of a dedicated software implementation. Such tools would empower the modeler to consider significantly more complex models than practical limitations might have otherwise proscribed, since the modeling framework itself manages that complexity on the modeler's behalf. In this report, we describe the chief motivations for OFFL, carefully outline its implementation, and utilize a range of classic examples from ecology and epidemiology to showcase its features.

  15. Epidemiology of Isolated Acromioclavicular Joint Dislocation

    Directory of Open Access Journals (Sweden)

    Claudio Chillemi

    2013-01-01

    Full Text Available Background. Acromioclavicular (AC joint dislocation is a common shoulder problem. However, information about the basic epidemiological features of this condition is scarce. The aim of this study is to analyze the epidemiology of isolated AC dislocation in an urban population. Materials and Methods. A retrospective database search was performed to identify all patients with an AC dislocation over a 5-year period. Gender, age, affected side and traumatic mechanism were taken into account. X-rays were reviewed by two of the authors and dislocations were classified according to the Rockwood’s criteria. Results. A total of 108 patients, with a mean age of 37.5 years were diagnosed with AC dislocation. 105 (97.2% had an isolated AC dislocation, and 3 (2.8% were associated with a clavicle fracture. The estimated incidence was 1.8 per 10000 inhabitants per year and the male-female ratio was 8.5 : 1. 50.5% of all dislocations occurred in individuals between the ages of 20 and 39 years. The most common traumatic mechanism was sport injury and the most common type of dislocation was Rockwood type III. Conclusions. Age between 20 and 39 years and male sex represent significant demographic risk factors for AC dislocation.

  16. Structure of the Dislocation in Sapphire

    DEFF Research Database (Denmark)

    Bilde-Sørensen, Jørgen; Thölen, A. R.; Gooch, D. J.

    1976-01-01

    Experimental evidence of the existence of 01 0 dislocations in the {2 0} prism planes in sapphire has been obtained by transmission electron microscopy. By the weak-beam technique it has been shown that the 01 0 dislocations may dissociate into three partials. The partials all have a Burgers vector...... of ⅓ 01 0 and are separated by two identical faults. The distance between two partials is in the range 75-135 Å, corresponding to a fault energy of 320±60 mJ/m2. Perfect 01 0 dislocations have also been observed. These dislocations exhibited either one or two peaks when imaged in the (03 0) reflection...

  17. Dynamic modeling of gearbox faults: A review

    Science.gov (United States)

    Liang, Xihui; Zuo, Ming J.; Feng, Zhipeng

    2018-01-01

    Gearbox is widely used in industrial and military applications. Due to high service load, harsh operating conditions or inevitable fatigue, faults may develop in gears. If the gear faults cannot be detected early, the health will continue to degrade, perhaps causing heavy economic loss or even catastrophe. Early fault detection and diagnosis allows properly scheduled shutdowns to prevent catastrophic failure and consequently result in a safer operation and higher cost reduction. Recently, many studies have been done to develop gearbox dynamic models with faults aiming to understand gear fault generation mechanism and then develop effective fault detection and diagnosis methods. This paper focuses on dynamics based gearbox fault modeling, detection and diagnosis. State-of-art and challenges are reviewed and discussed. This detailed literature review limits research results to the following fundamental yet key aspects: gear mesh stiffness evaluation, gearbox damage modeling and fault diagnosis techniques, gearbox transmission path modeling and method validation. In the end, a summary and some research prospects are presented.

  18. Dynamic neutron scattering from conformational dynamics. II. Application using molecular dynamics simulation and Markov modeling.

    Science.gov (United States)

    Yi, Zheng; Lindner, Benjamin; Prinz, Jan-Hendrik; Noé, Frank; Smith, Jeremy C

    2013-11-07

    Neutron scattering experiments directly probe the dynamics of complex molecules on the sub pico- to microsecond time scales. However, the assignment of the relaxations seen experimentally to specific structural rearrangements is difficult, since many of the underlying dynamical processes may exist on similar timescales. In an accompanying article, we present a theoretical approach to the analysis of molecular dynamics simulations with a Markov State Model (MSM) that permits the direct identification of structural transitions leading to each contributing relaxation process. Here, we demonstrate the use of the method by applying it to the configurational dynamics of the well-characterized alanine dipeptide. A practical procedure for deriving the MSM from an MD is introduced. The result is a 9-state MSM in the space of the backbone dihedral angles and the side-chain methyl group. The agreement between the quasielastic spectrum calculated directly from the atomic trajectories and that derived from the Markov state model is excellent. The dependence on the wavevector of the individual Markov processes is described. The procedure means that it is now practicable to interpret quasielastic scattering spectra in terms of well-defined intramolecular transitions with minimal a priori assumptions as to the nature of the dynamics taking place.

  19. Properties of dislocations in Cu(In,Ga)Se2 film and their formation during growth

    Energy Technology Data Exchange (ETDEWEB)

    Dietrich, Jens; Boit, Christian [Technische Universitaet Berlin, Department of Semiconductor Devices, Einsteinufer 19, 10587 Berlin (Germany); Abou-Ras, Daniel; Rissom, Thorsten; Unold, Thomas; Schock, Hans-Werner [Helmholtz Zentrum Berlin fuer Materialien und Energie, Hahn-Meitner-Platz 1, 14109 Berlin (Germany); Niermann, Tore; Lehmann, Michael [Technische Universitaet Berlin, Institute of Optics and Atomic Physics, Hardenbergstrasse 36, 10623 Berlin (Germany)

    2012-07-01

    Transmission electron microscopy (TEM) studies were performed on Cu(In,Ga)Se2 (CIGSe) thin films for solar cells with a special focus on dislocations. A sample series of glass/Mo/CIGSe stacks with varying [Cu]/([Ga]+[In]) ratio were prepared by interrupting the growth processes at several stages. TEM imaging and elemental distribution maps by energy-dispersive X-ray spectroscopy gave structural and compositional information at certain film growth states. Furthermore, high resolution TEM imaging was used to confirm a structural model of dislocations in complete CIGSe solar cells and by means of in-line electron holography we examined changes in the mean inner potential. A decrease of the mean inner potential at the position of the dislocations was observed. This might be attributed to a change of the atomic density due to the dislocation, a local segregation or a charge at the dislocation core.

  20. Displacement field for an edge dislocation in a layered half-space

    Science.gov (United States)

    Savage, J.C.

    1998-01-01

    The displacement field for an edge dislocation in an Earth model consisting of a layer welded to a half-space of different material is found in the form of a Fourier integral following the method given by Weeks et al. [1968]. There are four elementary solutions to be considered: the dislocation is either in the half-space or the layer and the Burgers vector is either parallel or perpendicular to the layer. A general two-dimensional solution for a dip-slip faulting or dike injection (arbitrary dip) can be constructed from a superposition of these elementary solutions. Surface deformations have been calculated for an edge dislocation located at the interface with Burgers vector inclined 0??, 30??, 60??, and 90?? to the interface for the case where the rigidity of the layer is half of that of the half-space and the Poisson ratios are the same. Those displacement fields have been compared to the displacement fields generated by similarly situated edge dislocations in a uniform half-space. The surface displacement field produced by the edge dislocation in the layered half-space is very similar to that produced by an edge dislocation at a different depth in a uniform half-space. In general, a low-modulus (high-modulus) layer causes the half-space equivalent dislocation to appear shallower (deeper) than the actual dislocation in the layered half-space.