Written by the leading experts in computational materials science, this handy reference concisely reviews the most important aspects of plasticity modeling: constitutive laws, phase transformations, texture methods, continuum approaches and damage mechanisms. As a result, it provides the knowledge needed to avoid failures in critical systems udner mechanical load. With its various application examples to micro- and macrostructure mechanics, this is an invaluable resource for mechanical engineers as well as for researchers wanting to improve on this method and extend its outreach.
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.
Defects, dislocations and the general theory.- Approaches to generalized continua.- Generalized continuum modelling of crystal plasticity.- Introduction to discrete dislocation dynamics. The book contains four lectures on generalized continua and dislocation theory, reflecting the treatment of the subject at different scales. G. Maugin provides a continuum formulation of defects at the heart of which lies the notion of the material configuration and the material driving forces of in-homogeneities such as dislocations, disclinations, point defects, cracks, phase-transition fronts and shock waves. C. Sansour and S. Skatulla start with a compact treatment of linear transformation groups with subsequent excursion into the continuum theory of generalized continua. After a critical assessment a unified framework of the same is presented. The next contribution by S. Forest gives an account on generalized crystal plasticity. Finally, H. Zbib provides an account of dislocation dynamics and illustrates its fundamental importance at the smallest scale. In three contributions extensive computational results of many examples are presented.
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. 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 whichthey are based. This includes classical studies, which are too often ignored, recent experimental and theoretical advances, as well as a discussion of selected applications on various topics.
This book presents a unique combination of chapters that together provide a practical introduction to multiscale modeling applied to nanoscale materials mechanics. The goal of this book is to present a balanced treatment of both the theory of the methodology, as well as some practical aspects of conducting the simulations and models. The first half of the book covers some fundamental modeling and simulation techniques ranging from ab-inito methods to the continuum scale. Included in this set of methods are several different concurrent multiscale methods for bridging time and length scales applicable to mechanics at the nanoscale regime. The second half of the book presents a range of case studies from a varied selection of research groups focusing either on a the application of multiscale modeling to a specific nanomaterial, or novel analysis techniques aimed at exploring nanomechanics. Readers are also directed to helpful sites and other resources throughout the book where the simulation codes and methodologies discussed herein can be accessed. Emphasis on the practicality of the detailed techniques is especially felt in the latter half of the book, which is dedicated to specific examples to study nanomechanics and multiscale materials behavior. An instructive avenue for learning how to effectively apply these simulation tools to solve nanomechanics problems is to study previous endeavors. Therefore, each chapter is written by a unique team of experts who have used multiscale materials modeling to solve a practical nanomechanics problem. These chapters provide an extensive picture of the multiscale materials landscape from problem statement through the final results and outlook, providing readers with a roadmap for incorporating these techniques into their own research.
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.
Dislocation Based Crystal Plasticity: Theory and Computation at Micron and Submicron Scale provides a comprehensive introduction to the continuum and discreteness dislocation mechanism-based theories and computational methods of crystal plasticity at the micron and submicron scale. Sections cover the fundamental concept of conventional crystal plasticity theory at the macro-scale without size effect, strain gradient crystal plasticity theory based on Taylar law dislocation, mechanism at the mesoscale, phase-field theory of crystal plasticity, computation at the submicron scale, including single crystal plasticity theory, and the discrete-continuous model of crystal plasticity with three-dimensional discrete dislocation dynamics coupling finite element method (DDD-FEM). Three kinds of plastic deformation mechanisms for submicron pillars are systematically presented. Further sections discuss dislocation nucleation and starvation at high strain rate and temperature effect for dislocation annihilation mechanism. - Covers dislocation mechanism-based crystal plasticity theory and computation at the micron and submicron scale - Presents crystal plasticity theory without size effect - Deals with the 3D discrete-continuous (3D DCM) theoretic and computational model of crystal plasticity with 3D discrete dislocation dynamics (3D DDD) coupling finite element method (FEM) - Includes discrete dislocation mechanism-based theory and computation at the submicron scale with single arm source, coating micropillar, lower cyclic loading pillars, and dislocation starvation at the submicron scale
Emphasising essential methods and universal principles, this textbook provides everything students need to understand the basics of simulating materials behaviour. All the key topics are covered from electronic structure methods to microstructural evolution, appendices provide crucial background material, and a wealth of practical resources are available online to complete the teaching package. Modelling is examined at a broad range of scales, from the atomic to the mesoscale, providing students with a solid foundation for future study and research. Detailed, accessible explanations of the fundamental equations underpinning materials modelling are presented, including a full chapter summarising essential mathematical background. Extensive appendices, including essential background on classical and quantum mechanics, electrostatics, statistical thermodynamics and linear elasticity, provide the background necessary to fully engage with the fundamentals of computational modelling. Exercises, worked examples, computer codes and discussions of practical implementations methods are all provided online giving students the hands-on experience they need.
The modern understanding of metal plasticity and fracturing began about 100 years ago, with pioneering work; first, on crack-induced fracturing by Griffith and, second, with the invention of dislocation-enhanced crystal plasticity by Taylor, Orowan and Polanyi. The modern counterparts are fracture mechanics, as invented by Irwin, and dislocation mechanics, as initiated in pioneering work by Cottrell. No less important was the breakthrough development of optical characterization of sectioned polycrystalline metal microstructures started by Sorby in the late 19th century and leading eventually to modern optical, x-ray and electron microscopy methods for assessments of crystal fracture surfaces, via fractography, and particularly of x-ray and electron microscopy techniques applied to quantitative characterizations of internal dislocation behaviors. A major current effort is to match computational simulations of metal deformation/fracturing behaviors with experimental measurements made over extended ranges of microstructures and over varying external conditions of stress-state, temperature and loading rate. The relation of such simulations to the development of constitutive equations for a hoped-for predictive description of material deformation/fracturing behaviors is an active topic of research. The present collection of articles provides a broad sampling of research accomplishments on the two subjects.
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.
