Dislocation Dynamics Simulations of Plasticity at Small Scales

Dislocation Dynamics Simulations of Plasticity at Small Scales PDF Author: Caizhi Zhou
Publisher:
ISBN:
Category :
Languages : en
Pages : 167

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Dislocation Dynamics Simulations of Plasticity at Small Scales

Dislocation Dynamics Simulations of Plasticity at Small Scales PDF Author: Caizhi Zhou
Publisher:
ISBN:
Category :
Languages : en
Pages : 167

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Book Description


Dislocation Dynamics Simulations of Plasticity at Small Scales

Dislocation Dynamics Simulations of Plasticity at Small Scales PDF Author:
Publisher:
ISBN:
Category :
Languages : en
Pages : 179

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Book Description
As metallic structures and devices are being created on a dimension comparable to the length scales of the underlying dislocation microstructures, the mechanical properties of them change drastically. Since such small structures are increasingly common in modern technologies, there is an emergent need to understand the critical roles of elasticity, plasticity, and fracture in small structures. Dislocation dynamics (DD) simulations, in which the dislocations are the simulated entities, offer a way to extend length scales beyond those of atomistic simulations and the results from DD simulations can be directly compared with the micromechanical tests. The primary objective of this research is to use 3-D DD simulations to study the plastic deformation of nano- and micro-scale materials and understand the correlation between dislocation motion, interactions and the mechanical response. Specifically, to identify what critical events (i.e., dislocation multiplication, cross-slip, storage, nucleation, junction and dipole formation, pinning etc.) determine the deformation response and how these change from bulk behavior as the system decreases in size and correlate and improve our current knowledge of bulk plasticity with the knowledge gained from the direct observations of small-scale plasticity. Our simulation results on single crystal micropillars and polycrystalline thin films can march the experiment results well and capture the essential features in small-scale plasticity. Furthermore, several simple and accurate models have been developed following our simulation results and can reasonably predict the plastic behavior of small scale materials.

The Plasticity of Metals at the Sub-micrometer Scale and Dislocation Dynamics in a Thin Film

The Plasticity of Metals at the Sub-micrometer Scale and Dislocation Dynamics in a Thin Film PDF Author: Seok Woo Lee
Publisher: Stanford University
ISBN:
Category :
Languages : en
Pages : 186

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Book Description
Nanotechnology has played a significant role in the development of useful engineering devices and in the synthesis of new classes of materials. For the reliable design of devices and for structural applications of materials with micro- or nano-sized features, nanotechnology has always called for an understanding of the mechanical properties of materials at small length scales. Thus, it becomes important to develop new experimental techniques to allow reliable mechanical testing at small scales. At the same time, the development of computational techniques is necessary to interpret the experimentally observed phenomena. Currently, microcompression testing of micropillars, which are fabricated by focused-ion beam (FIB) milling, is one of the most popular experimental methods for measuring the mechanical properties at the micrometer scale. Also, dislocation dynamics codes have been extensively developed to study the local evolution of dislocation structures. Therefore, we conducted both experimental and theoretical studies that shed new light on the factors that control the strength and plasticity of crystalline materials at the sub-micrometer scale. In the experimental work, we produced gold nanopillars by focused-ion beam milling, and conducted microcompression tests to obtain the stress-strain curves. Firstly, the size effects on the strength of gold nanopillars were studied, and "Smaller is Stronger" was observed. Secondly, we tried to change the dislocation densities to control the strength of gold nanopillars by prestraining and annealing. The results showed that prestraining dramatically reduces the flow strength of nanopillars while annealing restores the strength to the pristine levels. Transmission electron microscopy (TEM) revealed that the high dislocation density (~1015 m-2) of prestrained nanopillars significantly decreased after heavy plastic deformation. In order to interpret this TEM observation, potential dislocation source structures were geometrically analyzed. We found that the insertion of jogged dislocations before relaxation or enabling cross-slip during plastic flow are prerequisites for the formation of potentially strong natural pinning points and single arm dislocation sources. At the sub-micron scale, these conditions are most likely absent, and we argue that mobile dislocation starvation would occur naturally in the course of plastic flow. Two more outstanding issues have also been studied in this dissertation. The first involves the effects of FIB milling on the mechanical properties. Since micropillars are made by FIB milling, the damage layer at the free surface is always formed and would be expected to affect the mechanical properties at a sub-micron scale. Thus, pristine gold microparticles were produced by a solid-state dewetting technique, and the effects of FIB milling on both pristine and prestrained microparticles were examined via microcompression testing. These experiments revealed that FIB milling significantly reduces the strength of pristine microparticles, but does not alter that of prestrained microparticles. Thus, we confirmed that if there are pre-existing mobile-dislocations present in the crystal, FIB milling does not affect the mechanical properties. The second issue is the scaling law commonly used to describe the strength of micropillars as a function of sample size. For the scaling law, the power-law approximation has been widely used without understanding fundamental physics in it. Thus, we tried to analyze the power-law approximation in a quantitative manner with the well-known single arm source model. Material parameters, such as the friction stress, the anisotropic shear modulus, the magnitude of Burgers vector and the dislocation density, were explored to understand their effects on the scaling behavior. Considering these effects allows one to rationalize the observed material-dependent power-law exponents quantitatively. In another part of the dissertation, a computational study of dislocation dynamics in a free-standing thin film is described. We improved the ParaDiS (Parallel Dislocation Simulator) code, which was originally developed at the Lawrence Livermore National Laboratory, to deal with the free surface of a free-standing thin film. The spectral method was implemented to calculate the image stress field in a thin film. The faster convergence in the image stress calculation were obtained by employing Yoffe's image stress, which removes the singularity of the traction at the intersecting point between a threading dislocation and free surface. Using this newly developed code, we studied the stability of dislocation junctions and jogs, which are the potential dislocation sources, in a free standing thin film of a face-centered-cubic metal and discussed the creation of a dislocation source in a thin film. In summary, we have performed both microcompression tests and dislocation dynamics simulations to understand the dislocation mechanisms at the sub-micron scale and the related mechanical properties of metals. We believe that these experimental and computational studies have contributed to the enhancement of our fundamental knowledge of the plasticity of metals at the sub-micron scale.

Dislocations, Mesoscale Simulations and Plastic Flow

Dislocations, Mesoscale Simulations and Plastic Flow PDF Author: Ladislas Kubin
Publisher: OUP Oxford
ISBN: 0191664545
Category : Science
Languages : en
Pages : 320

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Book Description
In the past twenty years, new experimental approaches, improved models and progress in simulation techniques brought new insights into long-standing issues concerning dislocation-based plasticity in crystalline materials. During this period, three-dimensional dislocation dynamics simulations appeared and reached maturity. Their objectives are to unravel the relation between individual and collective dislocation processes at the mesoscale, to establish connections with atom-scale studies of dislocation core properties and to bridge, in combination with modelling, the gap between defect properties and phenomenological continuum models for plastic flow. Dislocation dynamics simulations are becoming accessible to a wide range of users. This book presents to students and researchers in materials science and mechanical engineering a comprehensive coverage of the physical body of knowledge on which they are based. It includes classical studies, which are too often ignored, recent experimental and theoretical advances, as well as a discussion of selected applications on various topics.

The Investigation of Plastic Behavior by Discrete Dislocation Dynamics for Single Crystal Pillar at Submicron Scale

The Investigation of Plastic Behavior by Discrete Dislocation Dynamics for Single Crystal Pillar at Submicron Scale PDF Author: Yinan Cui
Publisher: Springer
ISBN: 9811030324
Category : Science
Languages : en
Pages : 141

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Book Description
This thesis transports you to a wonderful and fascinating small-scale world and tells you the origin of several new phenomena. The investigative tool is the improved discrete dislocation-based multi-scale approaches, bridging the continuum modeling and atomistic simulation. Mechanism-based theoretical models are put forward to conveniently predict the mechanical responses and defect evolution. The findings presented in this thesis yield valuable new guidelines for microdevice design, reliability analysis and defect tuning.

Multiscale Modelling of Plasticity and Fracture by Means of Dislocation Mechanics

Multiscale Modelling of Plasticity and Fracture by Means of Dislocation Mechanics PDF Author: Peter Gumbsch
Publisher: Springer Science & Business Media
ISBN: 3709102839
Category : Technology & Engineering
Languages : en
Pages : 401

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Book Description
The latest state of simulation techniques to model plasticity and fracture in crystalline materials on the nano- and microscale is presented. Discrete dislocation mechanics and the neighbouring fields molecular dynamics and crystal plasticity are central parts. The physical phenomena, the theoretical basics, their mathematical description and the simulation techniques are introduced and important problems from the formation of dislocation structures to fatigue and fracture from the nano- to microscale as well as it’s impact on the macro behaviour are considered.

Dislocation Dynamics and Plasticity

Dislocation Dynamics and Plasticity PDF Author: Taira Suzuki
Publisher: Springer Science & Business Media
ISBN: 364275774X
Category : Science
Languages : en
Pages : 237

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Book Description
In the 1950s the direct observation of dislocations became possible, stimulat ing the interest of many research workers in the dynamics of dislocations. This led to major contributions to the understanding of the plasticity of various crys talline materials. During this time the study of metals and alloys of fcc and hcp structures developed remarkably. In particular, the discovery of the so-called in ertial effect caused by the electron and phonon frictional forces greatly influenced the quantitative understanding of the strength of these metallic materials. Statis tical studies of dislocations moving through random arrays of point obstacles played an important role in the above advances. These topics are described in Chaps. 2-4. Metals and alloys with bcc structure have large Peierls forces compared to those with fcc structure. The reasons for the delay in studying substances with bcc structure were mostly difficulties connected with the purification techniques and with microscopic studies of the dislocation core. In the 1970s, these difficulties were largely overcome by developments in experimental techniques and computer physics. Studies of dislocations in ionic and covalent bonding materials with large Peierls forces provided infonnation about the core structures of dislocations and their electronic interactions with charged particles. These are the main subjects in Chaps. 5-7.

The Plasticity of Metals at the Sub-micrometer Scale and Dislocation Dynamics in a Thin Film

The Plasticity of Metals at the Sub-micrometer Scale and Dislocation Dynamics in a Thin Film PDF Author: Seok Woo Lee
Publisher:
ISBN:
Category :
Languages : en
Pages :

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Book Description
Nanotechnology has played a significant role in the development of useful engineering devices and in the synthesis of new classes of materials. For the reliable design of devices and for structural applications of materials with micro- or nano-sized features, nanotechnology has always called for an understanding of the mechanical properties of materials at small length scales. Thus, it becomes important to develop new experimental techniques to allow reliable mechanical testing at small scales. At the same time, the development of computational techniques is necessary to interpret the experimentally observed phenomena. Currently, microcompression testing of micropillars, which are fabricated by focused-ion beam (FIB) milling, is one of the most popular experimental methods for measuring the mechanical properties at the micrometer scale. Also, dislocation dynamics codes have been extensively developed to study the local evolution of dislocation structures. Therefore, we conducted both experimental and theoretical studies that shed new light on the factors that control the strength and plasticity of crystalline materials at the sub-micrometer scale. In the experimental work, we produced gold nanopillars by focused-ion beam milling, and conducted microcompression tests to obtain the stress-strain curves. Firstly, the size effects on the strength of gold nanopillars were studied, and "Smaller is Stronger" was observed. Secondly, we tried to change the dislocation densities to control the strength of gold nanopillars by prestraining and annealing. The results showed that prestraining dramatically reduces the flow strength of nanopillars while annealing restores the strength to the pristine levels. Transmission electron microscopy (TEM) revealed that the high dislocation density (~1015 m-2) of prestrained nanopillars significantly decreased after heavy plastic deformation. In order to interpret this TEM observation, potential dislocation source structures were geometrically analyzed. We found that the insertion of jogged dislocations before relaxation or enabling cross-slip during plastic flow are prerequisites for the formation of potentially strong natural pinning points and single arm dislocation sources. At the sub-micron scale, these conditions are most likely absent, and we argue that mobile dislocation starvation would occur naturally in the course of plastic flow. Two more outstanding issues have also been studied in this dissertation. The first involves the effects of FIB milling on the mechanical properties. Since micropillars are made by FIB milling, the damage layer at the free surface is always formed and would be expected to affect the mechanical properties at a sub-micron scale. Thus, pristine gold microparticles were produced by a solid-state dewetting technique, and the effects of FIB milling on both pristine and prestrained microparticles were examined via microcompression testing. These experiments revealed that FIB milling significantly reduces the strength of pristine microparticles, but does not alter that of prestrained microparticles. Thus, we confirmed that if there are pre-existing mobile-dislocations present in the crystal, FIB milling does not affect the mechanical properties. The second issue is the scaling law commonly used to describe the strength of micropillars as a function of sample size. For the scaling law, the power-law approximation has been widely used without understanding fundamental physics in it. Thus, we tried to analyze the power-law approximation in a quantitative manner with the well-known single arm source model. Material parameters, such as the friction stress, the anisotropic shear modulus, the magnitude of Burgers vector and the dislocation density, were explored to understand their effects on the scaling behavior. Considering these effects allows one to rationalize the observed material-dependent power-law exponents quantitatively. In another part of the dissertation, a computational study of dislocation dynamics in a free-standing thin film is described. We improved the ParaDiS (Parallel Dislocation Simulator) code, which was originally developed at the Lawrence Livermore National Laboratory, to deal with the free surface of a free-standing thin film. The spectral method was implemented to calculate the image stress field in a thin film. The faster convergence in the image stress calculation were obtained by employing Yoffe's image stress, which removes the singularity of the traction at the intersecting point between a threading dislocation and free surface. Using this newly developed code, we studied the stability of dislocation junctions and jogs, which are the potential dislocation sources, in a free standing thin film of a face-centered-cubic metal and discussed the creation of a dislocation source in a thin film. In summary, we have performed both microcompression tests and dislocation dynamics simulations to understand the dislocation mechanisms at the sub-micron scale and the related mechanical properties of metals. We believe that these experimental and computational studies have contributed to the enhancement of our fundamental knowledge of the plasticity of metals at the sub-micron scale.

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 Dislocation-based Multiscale Modeling of Plasticity and Controlling Mechanisms

A Dislocation-based Multiscale Modeling of Plasticity and Controlling Mechanisms PDF Author: Nasrin Taheri-Nassaj
Publisher:
ISBN:
Category :
Languages : en
Pages : 163

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Book Description
The objective of this research is to investigate the plastic deformation and its controlling mechanisms in order to model and predict the material microstructure either dislocation pileups as a feature of plasticity or spatio-temporal dislocations pattern as another feature of plastic deformation using a hierarchical multiscale modeling approach from discrete dislocation dynamic to continuum dislocation dynamics and continuum mechanics.