Elements of Structures and Defects of Crystalline Materials
Elements of Structures and Defects of Crystalline Materials

Author: Tsang-Tse Fang

Publisher: Elsevier

Published: 2018-01-25

Total Pages: 233

ISBN-13: 0128142693

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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

Structure and Bonding in Crystalline Materials
Structure and Bonding in Crystalline Materials

Author: Gregory S. Rohrer

Publisher: Cambridge University Press

Published: 2001-07-19

Total Pages: 554

ISBN-13: 9780521663793

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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.

Crystallography and Crystal Defects
Crystallography and Crystal Defects

Author: Anthony Kelly

Publisher: John Wiley & Sons

Published: 2012-02-13

Total Pages: 537

ISBN-13: 0470750146

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Extensively revised and updated, this new edition of a classic text presents a unified approach to crystallography and to the defects found within crystals. The book combines the classical and exact description of symmetry of a perfect crystal with the possible geometries of the major defects-dislocations, stacking faults, point defects, twins, interfaces and the effects of martensitic transformations. A number of important concepts and exciting new topics have been introduced in this second edition, including piezoelectricity, liquid crystals, nanocrystalline concepts, incommensurate materials and the structure of foamed and amorphous solids. The coverage of quasicrystalline materials has been extended, and the data tables, appendices and references have been fully updated. Reinforcing its unrivalled position as the core text for teaching crystallography and crystal defects, each chapter includes problem sets with brief numerical solutions at the end of the book. Detailed worked solutions, supplementary lecture material and computer programs for crystallographic calculations are provided online (http://booksupport.wiley.com).

First-Principles Prediction of Structures and Properties in Crystals
First-Principles Prediction of Structures and Properties in Crystals

Author: Dominik Kurzydlowsk

Publisher: MDPI

Published: 2019-10-25

Total Pages: 128

ISBN-13: 3039216708

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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.

Imperfections in Crystalline Solids
Imperfections in Crystalline Solids

Author: Wei Cai

Publisher: Cambridge University Press

Published: 2016-09-15

Total Pages: 535

ISBN-13: 1107123135

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An accessible textbook providing students with a working knowledge of the properties of defects in crystals, in a step-by-step tutorial style.

Structure of Crystalline Solids, Imperfections and Defects in Crystals
Structure of Crystalline Solids, Imperfections and Defects in Crystals

Author: Costel Rizescu

Publisher:

Published: 2018-03

Total Pages: 0

ISBN-13: 9781947641174

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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.

Crystallography of Modular Materials
Crystallography of Modular Materials

Author: Giovanni Ferraris

Publisher: OUP Oxford

Published: 2004-03-25

Total Pages: 384

ISBN-13: 0191545872

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This is the first book to provide a comprehensive treatment of theories and applications in the rapidly expanding field of the crystallography of modular materials. Molecules are the natural modules from which molecular crystalline structures are built. Most inorganic structures, however, are infinite arrays of atoms and some kinds of surrogate modules, e.g. co-ordination polyhedra, are usually used to describe them. In recent years the attention has been focused on complex modules as the basis for a systematic description of polytypes and homologous/polysomatic series (modular structures). This representation is applied to the modelling of unknown structures and understanding nanoscale defects and intergrowths in materials. The Order/Disorder (OD) theory is fundamental to developing a systematic theory of polytypism, dealing with those structures based on both ordered and disordered stacking of one or more layers. Twinning at both unit-cell and micro-scale, together with disorder, causes many problems, "demons", for computer-based methods of crystal structure determination. This book develops the theory of twinning with the inclusion of worked examples, converting the "demons" into useful indicators for unravelling crystal structure. In spite of the increasing use of the concepts of modular crystallography for characterising, understanding and tailoring technological crystalline materials, this is the first book to offer a unified treatment of the results, which are spread across many different journals and original papers published over the last twenty years.

Crystals and Crystal Structures
Crystals and Crystal Structures

Author: Richard J. D. Tilley

Publisher: John Wiley & Sons

Published: 2020-08-03

Total Pages: 306

ISBN-13: 1119548381

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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.

Structure
Structure

Author: Gengxiang Hu

Publisher: Walter de Gruyter GmbH & Co KG

Published: 2021-02-08

Total Pages: 349

ISBN-13: 3110495341

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This textbook summarizes physical aspects of materials at atomic and molecular level, and discusses micro-structure of metals, alloys, ceramics and polymers. It further explains point defects, dislocations and surface imperfections, and the motions of atoms and molecular in solid state. As first volume in the set, it prepares students for further studies on phases and transitions which are discussed in the next volume.