Numerical Problems in Crystallography

Numerical Problems in Crystallography

Author: M. A. Wahab

Publisher: Springer Nature

Published: 2021-01-22

Total Pages: 397

ISBN-13: 9811597545

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This book aims at enhancing the understanding of topics in crystallography through solving numerical problems. Designed into nine chapters on major topics in crystallography, the book deals with more than 600 carefully selected solved examples, problems, and multiple-choice questions. Unit cell composition, construction and calculations, Miller indices, structure factor calculations, and X-ray diffraction methods are some of the many useful topics discussed in this book. Each chapter begins with a brief theoretical explanation of the topic followed by solved numerical examples for further clarity on the subject. The topic “crystallography” is interdisciplinary in nature. Its rudimentary knowledge, therefore, is essential to the beginners in physics, chemistry, mathematics, molecular biology, geology, metallurgy, and particularly materials science and mineralogy. This book also is of immense value to senior undergraduate and graduate students of physics, chemistry, and other basic sciences.


Foundations of Crystallography with Computer Applications

Foundations of Crystallography with Computer Applications

Author: Maureen M. Julian

Publisher: CRC Press

Published: 2011-03-05

Total Pages: 368

ISBN-13: 1420060767

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X-ray crystallography provides a unique opportunity to study the arrangement of atoms in a molecule. This book's modern computer-graphics centered approach facilitates the extrapolation of these valuable observations. A unified treatment of crystal systems, the book explains how atoms are arranged in crystals using the metric matrix. Featuring t


X-Ray Diffraction Crystallography

X-Ray Diffraction Crystallography

Author: Yoshio Waseda

Publisher: Springer Science & Business Media

Published: 2011-03-18

Total Pages: 320

ISBN-13: 3642166350

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X-ray diffraction crystallography for powder samples is a well-established and widely used method. It is applied to materials characterization to reveal the atomic scale structure of various substances in a variety of states. The book deals with fundamental properties of X-rays, geometry analysis of crystals, X-ray scattering and diffraction in polycrystalline samples and its application to the determination of the crystal structure. The reciprocal lattice and integrated diffraction intensity from crystals and symmetry analysis of crystals are explained. To learn the method of X-ray diffraction crystallography well and to be able to cope with the given subject, a certain number of exercises is presented in the book to calculate specific values for typical examples. This is particularly important for beginners in X-ray diffraction crystallography. One aim of this book is to offer guidance to solving the problems of 90 typical substances. For further convenience, 100 supplementary exercises are also provided with solutions. Some essential points with basic equations are summarized in each chapter, together with some relevant physical constants and the atomic scattering factors of the elements.


Structure Determination by X-Ray Crystallography

Structure Determination by X-Ray Crystallography

Author: M. F. C. Ladd

Publisher: Springer Science & Business Media

Published: 2012-12-06

Total Pages: 404

ISBN-13: 1461579333

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Crystallography may be described as the science of the structure of materi als, using this word in its widest sense, and its ramifications are apparent over a broad front of current scientific endeavor. It is not surprising, therefore, to find that most universities offer some aspects of crystallography in their undergraduate courses in the physical sciences. It is the principal aim of this book to present an introduction to structure determination by X-ray crystal lography that is appropriate mainly to both final-year undergraduate studies in crystallography, chemistry, and chemical physics, and introductory post graduate work in this area of crystallography. We believe that the book will be of interest in other disciplines, such as physics, metallurgy, biochemistry, and geology, where crystallography has an important part to play. In the space of one book, it is not possible either to cover all aspects of crystallography or to treat all the subject matter completely rigorously. In particular, certain mathematical results are assumed in order that their applications may be discussed. At the end of each chapter, a short bibliog raphy is given, which may be used to extend the scope of the treatment given here. In addition, reference is made in the text to specific sources of information. We have chosen not to discuss experimental methods extensively, as we consider that this aspect of crystallography is best learned through practical experience, but an attempt has been made to simulate the interpretive side of experimental crystallography in both examples and exercises.


Understanding Single-Crystal X-Ray Crystallography

Understanding Single-Crystal X-Ray Crystallography

Author: Dennis W. Bennett

Publisher: John Wiley & Sons

Published: 2010-03-08

Total Pages: 826

ISBN-13: 3527326774

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The first textbook for teaching this method to users with little mathematical background logically presents the theory and fundamentals in an easily comprehensible, self-contained way. The result is a must-have for advanced undergraduate students, as well as masters and graduate students and other users of single-crystal X-ray crystallography from many various disciplines.


Orientations and Rotations

Orientations and Rotations

Author: Adam Morawiec

Publisher: Springer Science & Business Media

Published: 2013-04-17

Total Pages: 203

ISBN-13: 3662091569

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Essentially, Orientations and Rotations treats the mathematical and computational foundations of texture analysis. It contains an extensive and thorough introduction to parameterizations and geometry of the rotation space. Since the notions of orientations and rotations are of primary importance for science and engineering, the book can be useful for a very broad audience using rotations in other fields.


Geometry of Crystals, Polycrystals, and Phase Transformations

Geometry of Crystals, Polycrystals, and Phase Transformations

Author: Harshad K. D. H. Bhadeshia

Publisher: CRC Press

Published: 2017-09-05

Total Pages: 334

ISBN-13: 1351629107

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Organized into a two-part structure aimed at readers of differing experience levels, Geometry of Crystals, Polycrystals, and Phase Transformations is accessible to both newcomers and advanced researchers within the field of crystallography. The first part of the text covers what any reader in the material sciences, physics, chemistry, earth sciences and natural sciences in general should know about crystallography. It is intentionally concise and covers sufficient material to form a firm foundation. The second part is aimed at researchers and discusses phase transformations, deformations, and interface crystallography in depth. The phase transformations are limited to those dominated by crystallography. The entire book contains worked examples and uniquely deals not just with crystals but aggregates of crystals and solid-state transformations between crystals.


Aperiodic Crystals

Aperiodic Crystals

Author: Ted Janssen

Publisher: Oxford University Press, USA

Published: 2007-05-24

Total Pages: 481

ISBN-13: 0198567774

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Most materials and crystals have an atomic structure which is described by a regular stacking of a microscopic fundamental unit, the unit cell. However, there are also many well ordered materials without such a unit cell. This book deals with the structure determination and a discussion of the main special properties of these materials.


Crystallography Made Crystal Clear

Crystallography Made Crystal Clear

Author: Gale Rhodes

Publisher: Academic Press

Published: 2012-12-02

Total Pages: 217

ISBN-13: 0323137784

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Crystallography Made Crystal Clear is designed to meet the need for an X-ray analysis that is between brief textbook sections and complete treatments. The book provides non-crystallographers with an intellectually satisfying explanation of the principles of how protein models are gleaned from X-ray analysis. The understanding of these concepts will foster wise use of the models, including the recognition of the strengths and weaknesses of pictures or computer graphics. Since proteins comprise the majority of the mass of macromolecules in cells and carry out biologically important tasks, the book will be of interest to biologists.Provides accessible descriptions of principles of x-ray crystallography, built on simple foundations for anyone with a basic science backgroundLeads the reader through clear, thorough, unintimidating explanations of the mathematics behind crystallographyExplains how to read crystallography papers in research journalsIf you use computer-generated models of proteins or nucleic acids for:Studying molecular interactionsDesigning ligands, inhibitors, or drugsEngineering new protein functionsInterpreting chemical, kinetic, thermodynamic, or spectroscopic dataStudying protein foldingTeaching macromolecule structure,and if you want to read new structure papers intelligently; become a wiser user of macromolecular models; and want to introduce undergraduates to the important subject of x-ray crystallography, then this book is for you.