Comparison of Dislocation Density Tensor Fields Derived from Discrete Dislocation Dynamics and Crystal Plasticity Simulations of Torsion

Comparison of Dislocation Density Tensor Fields Derived from Discrete Dislocation Dynamics and Crystal Plasticity Simulations of Torsion PDF Author:
Publisher:
ISBN:
Category :
Languages : en
Pages : 16

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Book Description
Accurate simulation of the plastic deformation of ductile metals is important to the design of structures and components to performance and failure criteria. Many techniques exist that address the length scales relevant to deformation processes, including dislocation dynamics (DD), which models the interaction and evolution of discrete dislocation line segments, and crystal plasticity (CP), which incorporates the crystalline nature and restricted motion of dislocations into a higher scale continuous field framework. While these two methods are conceptually related, there have been only nominal efforts focused at the global material response that use DD-generated information to enhance the fidelity of CP models. To ascertain to what degree the predictions of CP are consistent with those of DD, we compare their global and microstructural response in a number of deformation modes. After using nominally homogeneous compression and shear deformation dislocation dynamics simulations to calibrate crystal plasticity ow rule parameters, we compare not only the system-level stress-strain response of prismatic wires in torsion but also the resulting geometrically necessary dislocation density fields. To establish a connection between explicit description of dislocations and the continuum assumed with crystal plasticity simulations we ascertain the minimum length-scale at which meaningful dislocation density fields appear. Furthermore, our results show that, for the case of torsion, that the two material models can produce comparable spatial dislocation density distributions.

Comparison of Dislocation Density Tensor Fields Derived from Discrete Dislocation Dynamics and Crystal Plasticity Simulations of Torsion

Comparison of Dislocation Density Tensor Fields Derived from Discrete Dislocation Dynamics and Crystal Plasticity Simulations of Torsion PDF Author:
Publisher:
ISBN:
Category :
Languages : en
Pages : 16

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Book Description
Accurate simulation of the plastic deformation of ductile metals is important to the design of structures and components to performance and failure criteria. Many techniques exist that address the length scales relevant to deformation processes, including dislocation dynamics (DD), which models the interaction and evolution of discrete dislocation line segments, and crystal plasticity (CP), which incorporates the crystalline nature and restricted motion of dislocations into a higher scale continuous field framework. While these two methods are conceptually related, there have been only nominal efforts focused at the global material response that use DD-generated information to enhance the fidelity of CP models. To ascertain to what degree the predictions of CP are consistent with those of DD, we compare their global and microstructural response in a number of deformation modes. After using nominally homogeneous compression and shear deformation dislocation dynamics simulations to calibrate crystal plasticity ow rule parameters, we compare not only the system-level stress-strain response of prismatic wires in torsion but also the resulting geometrically necessary dislocation density fields. To establish a connection between explicit description of dislocations and the continuum assumed with crystal plasticity simulations we ascertain the minimum length-scale at which meaningful dislocation density fields appear. Furthermore, our results show that, for the case of torsion, that the two material models can produce comparable spatial dislocation density distributions.

Dislocation Dynamics

Dislocation Dynamics PDF Author: Alan R. Rosenfield
Publisher:
ISBN:
Category : Technology & Engineering
Languages : en
Pages : 806

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Book Description


Dislocation-Density-Function Dynamics Simulation for Crystal Plasticity

Dislocation-Density-Function Dynamics Simulation for Crystal Plasticity PDF Author: Hing-Shun Leung
Publisher:
ISBN: 9781361035603
Category :
Languages : en
Pages :

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Book Description
This dissertation, "Dislocation-density-function Dynamics Simulation for Crystal Plasticity: a Full-dynamics, All-dislocation Approach" by Hing-shun, Leung, 梁慶淳, was obtained from The University of Hong Kong (Pokfulam, Hong Kong) and is being sold pursuant to Creative Commons: Attribution 3.0 Hong Kong License. The content of this dissertation has not been altered in any way. We have altered the formatting in order to facilitate the ease of printing and reading of the dissertation. All rights not granted by the above license are retained by the author. Abstract: Current strategies of computational crystal plasticity that focus on individual atoms or dislocations are impractical for real-scale, large-strain problems even with today''s computing power. Dislocation-density based approaches are a way forward but a critical issue to address is a realistic description of the interactions between dislocations. In this thesis, a new scheme for computational dynamics of dislocation-density functions is proposed, which takes full consideration of the mutual elastic interactions between dislocations based on the Hirth-Lothe formulation. Other features considered include (i) continuity nature of the movements of dislocation densities, (ii) forest hardening, (iii) generation according to high spatial gradients in dislocation densities, and (iv) annihilation. Numerical implementation by the finite-volume method, which is well suited for flow problems with high gradients, is discussed. Numerical examples performed for a single-crystal aluminium model show typical strength anisotropy behaviour comparable to experimental observations. Furthermore, this approach has been applied to three engineering problems and discussed in detail: (i) Application on small-scale crystal plasticity successfully captures a number of key experimental features, including power-law relation between strength and size, low dislocation storage and jerky deformation. (ii) Crystal softening and enhanced cell formation are predicted by applying oscillatory loads. The simulations reveal the main mechanism for subcell formation under oscillatory loadings to be the enhanced elimination of statistically stored dislocations by the oscillatory stress, leaving behind geometrically necessary dislocations with low Schmid factors which then form the subgrain walls. This is the first simulation effort to successfully predict the cell formation phenomenon under vibratory loadings. (iii) Tensile deformation of tri-crystals with grain size ranging from 200 to 500 can be divided into three stages. The results indicate different controlling mechanisms of the flow stress at different stages of deformation and grain sizes. Changing the middle grain tilt angle with respect to the outer grains is found to affect the stress-strain relationship and the distribution of plastic strain in the three grains. A refined meso-scale scheme based on the full dynamics of dislocation-density functions is also proposed aiming to bridge across the meso scale. In this scheme, the evolution of the dislocation-density functions is derived from a coarse-graining procedure which clearly defines the relationship between the discrete-line and density representations of the dislocation microstructure. Full dynamics of the dislocation-density functions are considered based on an "all-dislocation" concept in which statistically stored dislocations are preserved and treated in the same way as geometrically necessary dislocations. Elastic interactions between dislocations are treated in accordance with Mura''s formula for eigen-stress. Dislocation generation is considered as a consequence of dislocations to maintain their connectivity, and a special scheme is devised for this purpose. The model is applied to simulate a number of intensive microstructures involving discrete dislocation events, including loop expansion and shrinkage under applied and self-stress, dipole annihilation, and Orowan

A Statistical Analysis of the Elastic Distortion and Dislocation Density Fields in Deformed Crystals

A Statistical Analysis of the Elastic Distortion and Dislocation Density Fields in Deformed Crystals PDF Author:
Publisher:
ISBN:
Category :
Languages : en
Pages : 16

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Book Description
The statistical properties of the elastic distortion fields of dislocations in deforming crystals are investigated using the method of discrete dislocation dynamics to simulate dislocation structures and dislocation density evolution under tensile loading. Probability distribution functions (PDF) and pair correlation functions (PCF) of the simulated internal elastic strains and lattice rotations are generated for tensile strain levels up to 0.85%. The PDFs of simulated lattice rotation are compared with sub-micrometer resolution three-dimensional X-ray microscopy measurements of rotation magnitudes and deformation length scales in 1.0% and 2.3% compression strained Cu single crystals to explore the linkage between experiment and the theoretical analysis. The statistical properties of the deformation simulations are analyzed through determinations of the Nye and Kr ner dislocation density tensors. The significance of the magnitudes and the length scales of the elastic strain and the rotation parts of dislocation density tensors are demonstrated, and their relevance to understanding the fundamental aspects of deformation is discussed.

Mechanics of Dislocation Fields

Mechanics of Dislocation Fields PDF Author: Claude Fressengeas
Publisher: John Wiley & Sons
ISBN: 111857818X
Category : Technology & Engineering
Languages : en
Pages : 229

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Book Description
Accompanying the present trend of engineering systems aimed at size reduction and design at microscopic/nanoscopic length scales, Mechanics of Dislocation Fields describes the self-organization of dislocation ensembles at small length scales and its consequences on the overall mechanical behavior of crystalline bodies. The account of the fundamental interactions between the dislocations and other microscopic crystal defects is based on the use of smooth field quantities and powerful tools from the mathematical theory of partial differential equations. The resulting theory is able to describe the emergence of dislocation microstructures and their evolution along complex loading paths. Scale transitions are performed between the properties of the dislocation ensembles and the mechanical behavior of the body. Several variants of this overall scheme are examined which focus on dislocation cores, electromechanical interactions of dislocations with electric charges in dielectric materials, the intermittency and scale-invariance of dislocation activity, grain-to-grain interactions in polycrystals, size effects on mechanical behavior and path dependence of strain hardening.

A Comparison of Nonlocal Continuum and Discrete Dislocation Plasticity Predictions

A Comparison of Nonlocal Continuum and Discrete Dislocation Plasticity Predictions PDF Author: E. Bittencourt
Publisher:
ISBN:
Category : Boundary value problems
Languages : en
Pages : 29

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Book Description
Abstract: "Discrete dislocation simulations of two boundary value problems are used as numerical experiments to explore the extent to which the nonlocal crystal plasticity theory of Gurtin (2002) can reproduce their predictions. In one problem simple shear of a constrained strip is analyzed, while the other problem concerns a two-dimensional model composite with elastic reinforcements in a crystalline matrix subject to macroscopic shear. In the constrained layer problem, boundary layers develop that give rise to size effects. In the composite problem, the discrete dislocation solutions exhibit composite hardening that depends on the reinforcement morphology, a size dependence of the overall stress-strain response for some morphologies, and a strong Bauschinger effect on unloading. In neither problem are the qualitative features of the discrete dislocation results represented by conventional continuum crystal plasticity. The nonlocal plasticity calculations here reproduce the behaviors seen in the discrete dislocation simulations in remarkable detail."

Statistical Analysis and Constitutive Modeling of Crystal Plasticity Using Dislocation Dynamics Simulation Database

Statistical Analysis and Constitutive Modeling of Crystal Plasticity Using Dislocation Dynamics Simulation Database PDF Author: Shamseddin Akhondzadeh
Publisher:
ISBN:
Category :
Languages : en
Pages :

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Book Description
Most metals are crystalline materials that can undergo significant plastic (permanent) deformation when subjected to applied loading. Plastic deformation is usually accompanied by an increase in the flow stress of the material. This phenomenon is called strain hardening and is of vital importance in many engineering applications, including aerospace, automotive, and power generation industries. Developing accurate material models to predict the plastic response and hardening behavior of metals during deformation is a prerequisite to the engineering design processes, which requires a physical understanding of the underlying deformation mechanisms. In single crystals, plastic deformation of the crystal is governed by the evolution of dislocations--line defects inside the crystalline materials which marks the boundary between the slipped and unslipped regions--moving and interacting in response to the applied loading. Dislocation dynamics (DD) simulations, which track the time-space trajectories of individual dislocation lines, provide a promising tool to establish a physical link between the dislocation microstructure evolution and the strain hardening phenomenon. However, the high computational cost of DD simulations renders the accessible length and time scales to well below those which are relevant to most engineering applications. Due to this challenge, instead of directly using DD simulations for engineering applications, we have utilized DD simulations to delineate how constitutive relations of crystal plasticity (CP) can be constructed for FCC copper, based on coarse-graining of high-throughput DD simulations. This thesis consists of three main components, and we show how they fit together into a complete, physical model like three pieces of a puzzle. The first piece is a massive DD simulation database that we were able to generate thanks to recent computational advances in DD, including the subcycling time-integration algorithm and its implementation on Graphics Processing Units (GPUs). By systematically coarse-graining the database we present a strain hardening model which consists of two components: 1) a dislocation multiplication model, which accounts for slip-free multiplication, and 2) an exponential flow-rule connecting slip system shear rate to the resolved shear stress through an exponential function. These components can be thought of as the second and third puzzle pieces. By analyzing the data, it was discovered that dislocation multiplication frequently occurs on slip systems which experience zero applied shear stress (i.e., zero Schmid factor) and have a plastic strain rate of zero; we termed such multiplication slip-free multiplication and it serves as the second puzzle piece. This finding questions the assumption of the existing phenomenological expression that multiplication is proportional to the shear rate. We propose to add a correction term to the generalized Kocks-Mecking expression to account for slip-free multiplication, whose mechanistic explanation is provided. A major finding of this thesis is that DD results suggest an exponential flow-rule, in contrast to the commonly used power-law flow-rule, even in the cases where thermal fluctuations are not present. The exponential flow-rule is the third piece in the puzzle of the presented strain hardening model. We demonstrate that the observed exponential flow-rule, despite the common notion that thermal fluctuations are the responsible mechanism, can be explained by statistical properties of the dislocation links. Hence, by statistically analyzing the number density and plastic activity of links in terms of their length, we formulate a physically justified link length based flow rule which can numerically capture the exponential dependence of shear rate on shear stress. The proposed link length based flow-rule has two key components: 1) the number density of links on each slip system, which was observed to follow the sum of two exponentials distribution, and 2) an average velocity of links as a function of resolved shear stress and link length, whose fitting coefficients are independent of the loading orientation. The exponential dependence of on resolved shear stress is traced to the spatial fluctuation of the internal stress field, which can be approximated by a Laplace distribution. The proposed average velocity function incorporates the Laplace distribution in its form. This thesis shows that discrete dislocation dynamics simulations can be used to inform higher length scale models of non-phenomenological constitutive relations. The presented model captures the strain hardening as a result of slip system interactions in FCC single crystals. It works as an example for developing similar coarse-grained models based on DDD which includes additional strain hardening mechanisms such as cross-slip, or precipitate hardening. We hope that the present thesis motivates more researchers to use DDD simulations for constructing constitutive relations.

Single Crystal Plasticity by Modeling Dislocation Density Rate Behavior

Single Crystal Plasticity by Modeling Dislocation Density Rate Behavior PDF Author:
Publisher:
ISBN:
Category :
Languages : en
Pages :

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Book Description
The goal of this work is to formulate a constitutive model for the deformation of metals over a wide range of strain rates. Damage and failure of materials frequently occurs at a variety of deformation rates within the same sample. The present state of the art in single crystal constitutive models relies on thermally-activated models which are believed to become less reliable for problems exceeding strain rates of 104 s−1. This talk presents work in which we extend the applicability of the single crystal model to the strain rate region where dislocation drag is believed to dominate. The elastic model includes effects from volumetric change and pressure sensitive moduli. The plastic model transitions from the low-rate thermally-activated regime to the high-rate drag dominated regime. The direct use of dislocation density as a state parameter gives a measurable physical mechanism to strain hardening. Dislocation densities are separated according to type and given a systematic set of interactions rates adaptable by type. The form of the constitutive model is motivated by previously published dislocation dynamics work which articulated important behaviors unique to high-rate response in fcc systems. The proposed material model incorporates thermal coupling. The hardening model tracks the varying dislocation population with respect to each slip plane and computes the slip resistance based on those values. Comparisons can be made between the responses of single crystals and polycrystals at a variety of strain rates. The material model is fit to copper.

DISLOCATION-DENSITY-FUNCTION D

DISLOCATION-DENSITY-FUNCTION D PDF Author: Hing-Shun Leung
Publisher: Open Dissertation Press
ISBN: 9781361035580
Category : Technology & Engineering
Languages : en
Pages : 198

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Book Description
This dissertation, "Dislocation-density-function Dynamics Simulation for Crystal Plasticity: a Full-dynamics, All-dislocation Approach" by Hing-shun, Leung, 梁慶淳, was obtained from The University of Hong Kong (Pokfulam, Hong Kong) and is being sold pursuant to Creative Commons: Attribution 3.0 Hong Kong License. The content of this dissertation has not been altered in any way. We have altered the formatting in order to facilitate the ease of printing and reading of the dissertation. All rights not granted by the above license are retained by the author. Abstract: Current strategies of computational crystal plasticity that focus on individual atoms or dislocations are impractical for real-scale, large-strain problems even with today's computing power. Dislocation-density based approaches are a way forward but a critical issue to address is a realistic description of the interactions between dislocations. In this thesis, a new scheme for computational dynamics of dislocation-density functions is proposed, which takes full consideration of the mutual elastic interactions between dislocations based on the Hirth-Lothe formulation. Other features considered include (i) continuity nature of the movements of dislocation densities, (ii) forest hardening, (iii) generation according to high spatial gradients in dislocation densities, and (iv) annihilation. Numerical implementation by the finite-volume method, which is well suited for flow problems with high gradients, is discussed. Numerical examples performed for a single-crystal aluminium model show typical strength anisotropy behaviour comparable to experimental observations. Furthermore, this approach has been applied to three engineering problems and discussed in detail: (i) Application on small-scale crystal plasticity successfully captures a number of key experimental features, including power-law relation between strength and size, low dislocation storage and jerky deformation. (ii) Crystal softening and enhanced cell formation are predicted by applying oscillatory loads. The simulations reveal the main mechanism for subcell formation under oscillatory loadings to be the enhanced elimination of statistically stored dislocations by the oscillatory stress, leaving behind geometrically necessary dislocations with low Schmid factors which then form the subgrain walls. This is the first simulation effort to successfully predict the cell formation phenomenon under vibratory loadings. (iii) Tensile deformation of tri-crystals with grain size ranging from 200 to 500 can be divided into three stages. The results indicate different controlling mechanisms of the flow stress at different stages of deformation and grain sizes. Changing the middle grain tilt angle with respect to the outer grains is found to affect the stress-strain relationship and the distribution of plastic strain in the three grains. A refined meso-scale scheme based on the full dynamics of dislocation-density functions is also proposed aiming to bridge across the meso scale. In this scheme, the evolution of the dislocation-density functions is derived from a coarse-graining procedure which clearly defines the relationship between the discrete-line and density representations of the dislocation microstructure. Full dynamics of the dislocation-density functions are considered based on an "all-dislocation" concept in which statistically stored dislocations are preserved and treated in the same way as geometrically necessary dislocations. Elastic interactions between dislocations are treated in accordance with Mura's formula for eigen-stress. Dislocation generation is considered as a consequence of dislocations to maintain their connectivity, and a special scheme is devised for this purpose. The model is applied to simulate a number of intensive microstructures involving discrete dislocation events, including loop expansion and shrinkage under applied and self-stress, dipole annihilation, and Orowan

Computer Simulations of Dislocations

Computer Simulations of Dislocations PDF Author: Vasily Bulatov
Publisher: OUP Oxford
ISBN: 0198526148
Category : Science
Languages : en
Pages : 300

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Book Description
The book presents a variety of methods for computer simulations of crystal defects in the form of "numerical recipes", complete with computer codes and analysis tools. By working through numerous case studies and problems, this book provides a useful starter kit for further method development in the computational materials sciences.