A profusion of research and results on the mechanical behaviour of crystalline solids has followed the discovery of dislocations in the early thirties. This trend has been enhanced by the development of powerful experimental techniques. particularly X ray diffraction. transmission and scanning electron microscopy. microanalysis. The technological advancement has given rise to the study of various and complex materials. not to speak of those recently invented. whose mechanical properties need to be mastered. either for their lise as structural materials. or more simply for detenllining their fonnability processes. As is often the case this fast growth has been diverted both by the burial of early fundamental results which are rediscovered more or less accurately. and by the too fast publication of inaccurate results. which propagate widely. and are accepted without criticism. Examples of these statements abound. and will not be quoted here for the sake of dispassionateness. Understanding the mechanical properties of materials implies the use of various experimental techniques. combined with a good theoretical knowledge of elasticity. thermodynamics and solid state physics. The recent development of various computer techniques (simulation. ab initio calculations) has added to the difficulty of gathering the experimental information. and mastering the theoretical understanding. No laboratory is equipped with all the possible experimental settings. almost no scientist masters all this theoretical kno\vledge. Therefore. cooperation between scientists is needed more than even before.

Multiscale Modeling for Process Safety Applications is a new reference demonstrating the implementation of multiscale modeling techniques on process safety applications. It is a valuable resource for readers interested in theoretical simulations and/or computer simulations of hazardous scenarios. As multi-scale modeling is a computational technique for solving problems involving multiple scales, such as how a flammable vapor cloud might behave if ignited, this book provides information on the fundamental topics of toxic, fire, and air explosion modeling, as well as modeling jet and pool fires using computational fluid dynamics. The book goes on to cover nanomaterial toxicity, QPSR analysis on relation of chemical structure to flash point, molecular structure and burning velocity, first principle studies of reactive chemicals, water and air reactive chemicals, and dust explosions. Chemical and process safety professionals, as well as faculty and graduate researchers, will benefit from the detailed coverage provided in this book. - Provides the only comprehensive source addressing the use of multiscale modeling in the context of process safety - Bridges multiscale modeling with process safety, enabling the reader to understand mapping between problem detail and effective usage of resources - Presents an overall picture of addressing safety problems in all levels of modeling and the latest approaches to each in the field - Features worked out examples, case studies, and a question bank to aid understanding and involvement for the reader

The idea of the book is to provide a comprehensive overview of computational physics methods and techniques, that are used for materials modeling on different length and time scales. Each chapter first provides an overview of the physical basic principles which are the basis for the numerical and mathematical modeling on the respective length-scale. The book includes the micro-scale, the meso-scale and the macro-scale. The chapters follow this classification. The book will explain in detail many tricks of the trade of some of the most important methods and techniques that are used to simulate materials on the perspective levels of spatial and temporal resolution. Case studies are occasionally included to further illustrate some methods or theoretical considerations. Example applications for all techniques are provided, some of which are from the author’s own contributions to some of the research areas. Methods are explained, if possible, on the basis of the original publications but also references to standard text books established in the various fields are mentioned.

The MRS Symposium Proceeding series is an internationally recognised reference suitable for researchers and practitioners.

KEY FEATURES: - A unified, fundamental and quantitative resource. The result of 5 years of investigation from researchers around the world - New data from a range of new techniques, including synchrotron radiation X-ray topography provide safer and surer methods of identifying deformation mechanisms - Informing the future direction of research in intermediate and high temperature processes by providing original treatment of dislocation climb DESCRIPTION: Thermally Activated Mechanisms in Crystal Plasticity is a unified, quantitative and fundamental resource for material scientists investigating the strength of metallic materials of various structures at extreme temperatures. Crystal plasticity is usually controlled by a limited number of elementary dislocation mechanisms, even in complex structures. Those which determine dislocation mobility and how it changes under the influence of stress and temperature are of key importance for understanding and predicting the strength of materials. The authors describe in a consistent way a variety of thermally activated microscopic mechanisms of dislocation mobility in a range of crystals. The principles of the mechanisms and equations of dislocation motion are revisited and new ones are proposed. These describe mostly friction forces on dislocations such as the lattice resistance to glide or those due to sessile cores, as well as dislocation cross-slip and climb. They are critically assessed by comparison with the best available experimental results of microstructural characterization, in situ straining experiments under an electron or a synchrotron beam, as well as accurate transient mechanical tests such as stress relaxation experiments. Some recent attempts at atomistic modeling of dislocation cores under stress and temperature are also considered since they offer a complementary description of core transformations and associated energy barriers. In addition to offering guidance and assistance for further experimentation, the book indicates new ways to extend the body of data in particular areas such as lattice resistance to glide.

Many modern energy systems are reliant on the production, transportation, storage, and use of gaseous hydrogen. The safety, durability, performance and economic operation of these systems is challenged by operating-cycle dependent degradation by hydrogen of otherwise high performance materials. This important two-volume work provides a comprehensive and authoritative overview of the latest research into managing hydrogen embrittlement in energy technologies.Volume 2 is divided into three parts, part one looks at the mechanisms of hydrogen interactions with metals including chapters on the adsorption and trap-sensitive diffusion of hydrogen and its impact on deformation and fracture processes. Part two investigates modern methods of modelling hydrogen damage so as to predict material-cracking properties. The book ends with suggested future directions in science and engineering to manage the hydrogen embrittlement of high-performance metals in energy systems.With its distinguished editors and international team of expert contributors, Volume 2 of Gaseous hydrogen embrittlement of materials in energy technologies is an invaluable reference tool for engineers, designers, materials scientists, and solid mechanicians working with safety-critical components fabricated from high performance materials required to operate in severe environments based on hydrogen. Impacted technologies include aerospace, petrochemical refining, gas transmission, power generation and transportation. - Summarises the wealth of recent research on understanding and dealing with the safety, durability, performance and economic operation of using gaseous hydrogen at high pressure - Chapters review mechanisms of hydrogen embrittlement including absorption, diffusion and trapping of hydrogen in metals - Analyses ways of modelling hydrogen-induced damage and assessing service life

The problem of stress corrosion cracking (SCC), which causes sudden failure of metals and other materials subjected to stress in corrosive environment(s), has a significant impact on a number of sectors including the oil and gas industries and nuclear power production. Stress corrosion cracking reviews the fundamentals of the phenomenon as well as examining stress corrosion behaviour in specific materials and particular industries.The book is divided into four parts. Part one covers the mechanisms of SCC and hydrogen embrittlement, while the focus of part two is on methods of testing for SCC in metals. Chapters in part three each review the phenomenon with reference to a specific material, with a variety of metals, alloys and composites discussed, including steels, titanium alloys and polymer composites. In part four, the effect of SCC in various industries is examined, with chapters covering subjects such as aerospace engineering, nuclear reactors, utilities and pipelines.With its distinguished editors and international team of contributors, Stress corrosion cracking is an essential reference for engineers and designers working with metals, alloys and polymers, and will be an invaluable tool for any industries in which metallic components are exposed to tension, corrosive environments at ambient and high temperatures. - Examines the mechanisms of stress corrosion cracking (SCC) presenting recognising testing methods and materials resistant to SCC - Assesses the effect of SCC on particular metals featuring steel, stainless steel, nickel-based alloys, magnesium alloys, copper-based alloys and welds in steels - Reviews the monitoring and management of SCC and the affect of SCC in different industries such as petrochemical and aerospace

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.

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.

The first reference of its kind in the rapidly emerging field of computational approachs to materials research, this is a compendium of perspective-providing and topical articles written to inform students and non-specialists of the current status and capabilities of modelling and simulation. From the standpoint of methodology, the development follows a multiscale approach with emphasis on electronic-structure, atomistic, and mesoscale methods, as well as mathematical analysis and rate processes. Basic models are treated across traditional disciplines, not only in the discussion of methods but also in chapters on crystal defects, microstructure, fluids, polymers and soft matter. Written by authors who are actively participating in the current development, this collection of 150 articles has the breadth and depth to be a major contributor toward defining the field of computational materials. In addition, there are 40 commentaries by highly respected researchers, presenting various views that should interest the future generations of the community. Subject Editors: Martin Bazant, MIT; Bruce Boghosian, Tufts University; Richard Catlow, Royal Institution; Long-Qing Chen, Pennsylvania State University; William Curtin, Brown University; Tomas Diaz de la Rubia, Lawrence Livermore National Laboratory; Nicolas Hadjiconstantinou, MIT; Mark F. Horstemeyer, Mississippi State University; Efthimios Kaxiras, Harvard University; L. Mahadevan, Harvard University; Dimitrios Maroudas, University of Massachusetts; Nicola Marzari, MIT; Horia Metiu, University of California Santa Barbara; Gregory C. Rutledge, MIT; David J. Srolovitz, Princeton University; Bernhardt L. Trout, MIT; Dieter Wolf, Argonne National Laboratory.