Fundamentals of Powder Diffraction and Structural Characterization of Materials, Second Edition


Book Description

A little over ?ve years have passed since the ?rst edition of this book appeared in print. Seems like an instant but also eternity, especially considering numerous developments in the hardware and software that have made it from the laboratory test beds into the real world of powder diffraction. This prompted a revision, which had to be beyond cosmetic limits. The book was, and remains focused on standard laboratory powder diffractometry. It is still meant to be used as a text for teaching students about the capabilities and limitations of the powder diffraction method. We also hope that it goes beyond a simple text, and therefore, is useful as a reference to practitioners of the technique. The original book had seven long chapters that may have made its use as a text - convenient. So the second edition is broken down into 25 shorter chapters. The ?rst ?fteen are concerned with the fundamentals of powder diffraction, which makes it much more logical, considering a typical 16-week long semester. The last ten ch- ters are concerned with practical examples of structure solution and re?nement, which were preserved from the ?rst edition and expanded by another example – R solving the crystal structure of Tylenol .




Principles and Applications of Powder Diffraction


Book Description

Powder diffraction is one of the primary techniques used to characterize materials, providing structural information even when the crystallite size is too small for single crystal x-ray diffraction methods. There has been a significant increase in the application of powder diffraction in recent years, both in research and manufacturing, fuelled by improved instrumentation, data processing and awareness of the information that can be obtained. Powder diffraction allows for rapid, non-destructive analysis of multi-component mixtures without the need for extensive sample preparation. This gives laboratories the ability to quickly analyse unknown materials and perform materials characterization in such fields as chemistry, materials science, geology, mineralogy, forensics, archaeology, and the biological and pharmaceutical sciences. This book provides a concise introduction to modern powder diffraction methods with particular emphasis on practical aspects. It covers the background theory of diffraction in a form approachable by those with an undergraduate degree. Whilst individual chapters are written as stand alone sections, the text is sufficiently focused so that it can be read in its entirety by the non-specialist who wants to gain a rapid overview of what they can do with modern powder diffraction methods.




Introduction to X-Ray Powder Diffractometry


Book Description

Introduction to X-ray Powder Diffractometry fully updates the achievements in the field over the past fifteen years and provides a much-needed explanation of the state-of-the-art techniques involved in characterizing materials. It covers the latest instruments and methods, with an emphasis on the fundamentals of the diffractometer, its components, alignment, calibration, and automation. While the material is presented in an orderly progression, beginning with basic concepts and moving on to more complex material, each chapter stands on its own and can be studied independently or used as a professional reference. More than 230 illustrations and tables demonstrate techniques and clarify complex material.




Modern Powder Diffraction


Book Description

Volume 20 of Reviews in Mineralogy attempted to: (1) provide examples illustrating the state-of-the-art in powder diffraction, with emphasis on applications to geological materials; (2) describe how to obtain high-quality powder diffraction data; and (3) show how to extract maximum information from available data. In particular, the nonambient experiments are examples of some of the new and exciting areas of study using powder diffraction, and the interested reader is directed to the rapidly growing number of published papers on these subjects. Powder diffraction has evolved to a point where considerable information can be obtained from ug-sized samples, where detection limits are in the hundreds of ppm range, and where useful data can be obtained in milliseconds to microseconds. We hope that the information in this volume will increase the reader's access to the considerable amount of information contained in typical diffraction data.




Rietveld Refinement


Book Description

Almost 50 years have passed since the famous papers of Hugo Rietveld from the late sixties where he describes a method for the refinement of crystal structures from neutron powder diffraction data. Soon after, the potential of the method for laboratory X-ray powder diffraction was discovered. Although the method is now widely accepted, there are still many pitfalls in the theoretical understanding and in practical daily use. This book closes the gap with a theoretical introduction for each chapter followed by a practical approach. The flexible macro type language of the Topas Rietveld software can be considered as the defacto standard.




Powder Diffraction


Book Description

Crystal structure analysis from powder diffraction data has attracted considerable and ever growing interest in the last decades. X-ray powder diffraction is best known for phase analysis (Hanawalt files) dating back to the 30s. In the late 60s the inherent potential of powder diffraction for crystallographic problems was realized and scientists developed methods for using powder diffraction data at first only for the refinement of crystal structures. With the development of ever growing computer power profile fitting and pattern decomposition allowed to extract individual intensities from overlapping diffraction peaks opening the way to many other applications, especially to ab initio structure determination. Powder diffraction today is used in X-ray and neutron diffraction, where it is a powerful method in neutron diffraction for the determination of magnetic structures. In the last decade the interest has dramatically improved. There is hardly any field of crystallography where the Rietveld, or full pattern method has not been tried with quantitative phase analysis the most important recent application.




Powder Diffraction


Book Description




Structure Determination from Powder Diffraction Data


Book Description

Our understanding of the properties of materials, from drugs and proteins to catalysts and ceramics, is almost always based on structural information. This book describes the new developments in the realm of powder diffraction which make it possible for scientists to obtain such information even from polycrystalline materials. Written and edited by experts active in the field, and covering both the fundamental and applied aspects of structure solution from powder diffraction data, this book guides both novices and experienced practitioners alike through the maze of possibilities.




Applications of Neutron Powder Diffraction


Book Description

This is the first book covering the theory, practicalities, and the extensive applications of neutron powder diffraction in materials science, physics, chemistry, mineralogy, and engineering. The broad coverage should be accessible to graduate students and senior undergraduates in science and engineering, as well as lecturers and researchers.




X-Ray Diffraction for Materials Research


Book Description

X-ray diffraction is a useful and powerful analysis technique for characterizing crystalline materials commonly employed in MSE, physics, and chemistry. This informative new book describes the principles of X-ray diffraction and its applications to materials characterization. It consists of three parts. The first deals with elementary crystallography and optics, which is essential for understanding the theory of X-ray diffraction discussed in the second section of the book. Part 2 describes how the X-ray diffraction can be applied for characterizing such various forms of materials as thin films, single crystals, and powders. The third section of the book covers applications of X-ray diffraction. The book presents a number of examples to help readers better comprehend the subject. X-Ray Diffraction for Materials Research: From Fundamentals to Applications also • provides background knowledge of diffraction to enable nonspecialists to become familiar with the topics • covers the practical applications as well as the underlying principle of X-ray diffraction • presents appropriate examples with answers to help readers understand the contents more easily • includes thin film characterization by X-ray diffraction with relevant experimental techniques • presents a huge number of elaborately drawn graphics to help illustrate the content The book will help readers (students and researchers in materials science, physics, and chemistry) understand crystallography and crystal structures, interference and diffraction, structural analysis of bulk materials, characterization of thin films, and nondestructive measurement of internal stress and phase transition. Diffraction is an optical phenomenon and thus can be better understood when it is explained with an optical approach, which has been neglected in other books. This book helps to fill that gap, providing information to convey the concept of X-ray diffraction and how it can be applied to the materials analysis. This book will be a valuable reference book for researchers in the field and will work well as a good introductory book of X-ray diffraction for students in materials science, physics, and chemistry.