Elements Of Structures And Defects Of Crystalline Materials

Elements of Structures and Defects of Crystalline Materials has been written to cover not only the fundamental principles behind structures and defects, but also to provide deep insights into understanding the relationships of properties, defect chemistry and processing of the concerned materials. Part One deals with structures, while Part Two covers defects. Since the knowledge of the electron configuration of elements is necessary for understanding the nature of chemical bonding, it is discussed in the opening chapter. Chapter Two then describes the bonding formation within the crystal structures of varied materials, with Chapter Three delving into how a material’s structure is formed. In view of the importance of the effects of the structure distortion on the material properties due to the fields, the related topics have been included in section 3.4. Moreover, several materials still under intensive investigation have been illustrated to provide deep insights into understanding the effects of the relationships of processing, structures and defects on the material properties. The defects of materials are explored in Part II. Chapter 4 deals with the point defects of metal and ceramics. Chapter 5 covers the fundamentals of the characteristics of dislocations, wherein physics and the atomic mechanics of several issues have been described in detail. In view of the significant influence of the morphologies including size, shape and distribution of grains, phases on the microstructure evolution, and, in turn, the properties of materials, the final chapter focuses on the fundamentals of interface energies, including single phase (grain) boundary and interphase boundary. Discusses the relationship between properties, defect chemistry and the processing of materials Presents coverage of the fundamental principles behind structures and defects Includes information on two-dimensional and three-dimensional imperfections in solids

The classic book that presents a unified approach to crystallography and the defects found within crystals, revised and updated This new edition of Crystallography and Crystal Defects explains the modern concepts of crystallography in a clear, succinct manner and shows how to apply these concepts in the analyses of point, line and planar defects in crystalline materials. Fully revised and updated, this book now includes: Original source references to key crystallographic terms familiar to materials scientists Expanded discussion on the elasticity of cubic materials New content on texture that contains more detail on Euler angles, orientation distribution functions and an expanded discussion on examples of textures in engineering materials Additional content on dislocations in materials of symmetry lower than cubic An expanded discussion of twinning which includes the description and classification of growth twins The inclusion and explanation of results from atomistic modelling of twin boundaries Problem sets with new questions, detailed worked solutions, supplementary lecture material and online computer programs for crystallographic calculations. Written by authors with extensive lecturing experience at undergraduate level, Crystallography and Crystal Defects, Third Edition continues to take its place as the core text on the topic and provides the essential resource for students and researchers in metallurgy, materials science, physics, chemistry, electrical, civil and mechanical engineering.

One of the motivating questions in materials research today is, how can elements be combined to produce a solid with specified properties? This book is intended to acquaint the reader with established principles of crystallography and cohesive forces that are needed to address the fundamental relationship between the composition, structure and bonding. Starting with an introduction to periodic trends, the book discusses crystal structures and the various primary and secondary bonding types, and finishes by describing a number of models for predicting phase stability and structure. Containing a large number of worked examples, exercises, and detailed descriptions of numerous crystal structures, this book is primarily intended as an advanced undergraduate or graduate level textbook for students of materials science. It will also be useful to scientists and engineers who work with solid materials.

The term “first-principles calculations” is a synonym for the numerical determination of the electronic structure of atoms, molecules, clusters, or materials from ‘first principles’, i.e., without any approximations to the underlying quantum-mechanical equations. Although numerous approximate approaches have been developed for small molecular systems since the late 1920s, it was not until the advent of the density functional theory (DFT) in the 1960s that accurate “first-principles” calculations could be conducted for crystalline materials. The rapid development of this method over the past two decades allowed it to evolve from an explanatory to a truly predictive tool. Yet, challenges remain: complex chemical compositions, variable external conditions (such as pressure), defects, or properties that rely on collective excitations—all represent computational and/or methodological bottlenecks. This Special Issue comprises a collection of papers that use DFT to tackle some of these challenges and thus highlight what can (and cannot yet) be achieved using first-principles calculations of crystals.

This book highlights some of the latest advances in nanotechnology and nanomaterials from leading researchers in Ukraine, Europe and beyond. It features contributions presented at the 10th International Science and Practice Conference Nanotechnology and Nanomaterials (NANO2022), which was held in hybrid format on August 25-27, 2022 at Lviv House of Scientists, and was jointly organized by the Institute of Physics of the National Academy of Sciences of Ukraine, University of Tartu (Estonia), University of Turin (Italy), and Pierre and Marie Curie University (France). Internationally recognized experts from a wide range of universities and research institutions share their knowledge and key findings on material properties, behavior, synthesis and their applications. The book will be interesting for leading scientists, advanced undergraduate and graduate students in material and nanoscience. This book’s companion volume also addresses topics such as nano-optics, nanoelectronics, energy storage, nanochemistryl and biomedical applications.

This book contains a unified approach to crystallography and the structural imperfections and defects found within crystals. The reason the authors chose for treating these two subjects together was that the study of the first is necessary for a proper appreciation of the second. Understanding the idea of lattice and of the crystal classes firstly will help its relevance to the study of imperfections, defects, and phase transformations in the second part of the book. Split into two parts: the "Structure of the Crystalline Solids" and the "Imperfections and Defects in Crystals", and each broken into subchapters, this volume combines the classical and exact description of the symmetry of a perfect crystal with the possible geometries of the major defects-dislocations, stacking faults, point, line, surface and volume defects, twins, and the effects of martensitic transformation in iron. The first part presents a systematic treatment of the basics of crystallography, discussing space lattice, unit cells, symmetry, point groups, crystal systems in terms of Miller indices for crystallographic points, directions, and planes, and zone axis, as well. A number of important concepts such as packing factor, atomic radius, linear, planar, and volume density, polymorphism, allotropes, interstitial sites in cubic and hexagonal structures, and structural features of the most representative compounds used nowadays in a myriad of applications are introduced and carefully explained. In the second part, the authors guide the reader in a step-by-step way through point, line, planar, and volume defects, with an emphasis on their structural properties.A large amount of the latest critically evaluated data for the properties of all elements on the periodic table of the elements, including hundreds of up-to-date crystal structure data are presented. Each chapter contains the logical presentation of concepts supported by suitably chosen examples and worked problems. Hundreds of illustrations within the text help the reader visualize crystal structures and mathematical objects, supporting important topics, but also illustrating crystalline structures found in thousands of compounds. A concise summary and plenty of review questions and problems at the end reinforce the important key points.

This textbook is a modern take on an old subject at the heart of materials physics. Properties of crystalline materials are almost always controlled by structural defects within them. Until relatively recently these defects were studied theoretically using continuum elasticity theory which ignores the atomic structure of the host material. This book introduces the concepts of elasticity in the traditional continuum way and also in terms of atomic interactions. It goes on to present point (impurities, missing atoms), line (dislocations) and planar (faults, cracks) defects at both the continuum level and the atomic level. This novel approach will be new to most engineers and it will appeal to physicists. There are exercises for the student to work through, with complete solutions free to course instructors from the OUP website.

An authoritative, updated text that offers an introduction to crystals and crystal structure with coverage of crystallography, and microscopy of materials Written in a friendly, non-mathematical style, the updated second edition of Crystals and Crystal Structures offers a comprehensive exploration of the key elements of crystals and crystal structures. Starting with the basics, it includes information on multiple areas of crystallography, including modulated structures, quasicrystals and protein crystallography, and interdisciplinary applications as diverse as the relationship between physical properties and symmetry. To enhance comprehension of the material presented, the book contains a variety of problems and exercises. The revised second edition offers new material and updates in the field including: An introduction to the use of high intensity X-ray analysis of protein structures Advances in imaging, scanning electron microscopy, and cryo-electron microscopy The relationship between symmetry and physical properties highlighting new findings and an introduction to tensor notation in describing these relationships in a concise fashion Nanoparticles as well as crystallographic aspects, defects, surface defects and the impact of these crystallographic features on properties Perovskite structures and their variations and the inclusion of their wide-ranging properties Written for students ofcrystallography, chemistry, physics, materials science, biosciences and geology, Crystals and Crystal Structures, Second Edition provides an understanding of the subject and enables students to read scientific papers and articles describing a crystal structure or use crystallographic databases.