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Atomistic and Continuum Modeling of Nanocrystalline Materials develops a complete and rigorous state-of-the-art analysis of the modeling of the mechanical behavior of nanocrystalline (NC) materials. Among other key topics, the material focuses on the novel techniques used to predict the behavior of nanocrystalline materials. Particular attention is given to recent theoretical and computational frameworks combining atomistic and continuum approaches. Also, the most relevant deformation mechanisms governing the response of nanocrystalline materials are addressed and discussed in correlation with available experimental data.
Atomistic and Continuum Modeling of Nanocrystalline Materials develops a complete and rigorous state-of-the-art analysis of the modeling of the mechanical behavior of nanocrystalline (NC) materials. Among other key topics, the material focuses on the novel techniques used to predict the behavior of nanocrystalline materials. Particular attention is given to recent theoretical and computational frameworks combining atomistic and continuum approaches. Also, the most relevant deformation mechanisms governing the response of nanocrystalline materials are addressed and discussed in correlation with available experimental data.
This book describes the main approaches for production and synthesis of nanostructured metals and alloys, taking into account the fatigue behavior of materials in additive manufactured components. Depending on the material type, form, and application, a deep discussion of fatigue properties and crack behavior is also provided. Pure nanostructured metals, complex alloys and composites are further considered. Prof. Cavaliere’s examination is supported by the most up-to-date understanding from the scientific literature along with a thorough presentation of theory. Bringing together the widest range of perspective on its topic, the book is ideal for materials researchers, professional engineers in industry, and students interested in nanostructured materials, fracture/fatigue mechanics, and additive manufacturing. Describes in detail the relevance of nanostructures in additive manufacturing technologies; Includes sufficient breadth and depth on theoretical modelling of fatigue and crack behavior for use in the classroom; Identifies many open questions regarding different theories through experimental finding; Contextualizes the latest scientific results for readers in industry.
This book concentrates on both understanding and development of nanocrystalline materials. The original relation that connects grain size and strength, known as the Hall-Petch relation, is studied in the nanometer grain size region. The breakdown of such a relation is a challenge. Why and how to overcome it? Is the dislocation mechanism still opera
This is an introduction to molecular and atomistic modeling techniques applied to fracture and deformation of solids, focusing on a variety of brittle, ductile, geometrically confined and biological materials. The overview includes computational methods and techniques operating at the atomic scale, and describes how these techniques can be used to model cracks and other deformation mechanisms. The book aims to make new molecular modeling techniques available to a wider community.
Molecular Modeling and Multiscaling Issues for Electronic Material Applications provides a snapshot on the progression of molecular modeling in the electronics industry and how molecular modeling is currently being used to understand material performance to solve relevant issues in this field. This book is intended to introduce the reader to the evolving role of molecular modeling, especially seen through the eyes of the IEEE community involved in material modeling for electronic applications. Part I presents the role that quantum mechanics can play in performance prediction, such as properties dependent upon electronic structure, but also shows examples how molecular models may be used in performance diagnostics, especially when chemistry is part of the performance issue. Part II gives examples of large-scale atomistic methods in material failure and shows several examples of transitioning between grain boundary simulations (on the atomistic level)and large-scale models including an example of the use of quasi-continuum methods that are being used to address multiscaling issues. Part III is a more specific look at molecular dynamics in the determination of the thermal conductivity of carbon-nanotubes. Part IV covers the many aspects of molecular modeling needed to understand the relationship between the molecular structure and mechanical performance of materials. Finally, Part V discusses the transitional topic of multiscale modeling and recent developments to reach the submicronscale using mesoscale models, including examples of direct scaling and parameterization from the atomistic to the coarse-grained particle level.
Nanocrystalline materials exhibit exceptional mechanical properties, representing an exciting new class of structural materials for technological applications. The advancement of this important field depends on the development of new fabrication methods, and an appreciation of the underlying nano-scale and interface effects. This authored book addresses these essential issues, presenting for the first time a fundamental, coherent and current account at the theoretical and practical level of nanocrystalline and nanocomposite bulk materials and coatings. The subject is approached systematically, covering processing methods, key structural and mechanical properties, and a wealth of applications. This is a valuable resource for graduate students studying nanomaterials science and nanotechnologies, as well as researchers and practitioners in materials science and engineering.
In materials science, dislocations are irregularities within the crystal structure or atomic scale of engineering materials, such as metals, semi-conductors, polymers, and composites. Discussing this specific aspect of materials science and engineering, Introduction to Dislocations is a key resource for students. The book provides students and practitioners with the fundamental principles required to understand dislocations. Comprised of 10 chapters, the text includes advanced computer modeling and very high-resolution electron microscopy to help readers better understand the structure of atoms close to the core of dislocations. It shows that atomic arrangement has a significant effect on the formation of dislocations and thereby on the properties of solids. The first two chapters of the book present an overview of dislocations. The crystal structures and the various defects and dislocations are discussed, and methods of observation and diagnosis of dislocations are covered. Chapters 3 to 5 discuss the behavior of dislocations and explain how changes in the structure and arrangement of atoms can affect the behavior of dislocations. The three chapters also discuss the mechanical properties of dislocations. The remaining chapters offer a detailed discussion of the mechanisms of dislocations and the mechanical strength of crystalline solids. The book is written for undergraduate- and graduate-level students in both materials science and mechanical engineering. Non-experts and novices working on mechanical properties, mechanisms of deformation and fracture, and properties of materials, as well as industrial and academic researchers, will find this book invaluable. - Long-established academic reference by an expert author team, highly regarded for their contributions to the field. - Uses minimal mathematics to present theory and applications in a detailed yet easy-to-read manner, making this an understandable introduction to a complex topic. - Unlike the main competition, this new edition includes recent developments in the subject and up-to-date references to further reading and research sources.
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.
The purpose of this book is to show how general principles afford insight into laser processes. The principles may be from fundamental physical theory or from direct observation, but understanding of the general characteristics of a process is essential.