Indexing of Crystal Diffraction Patterns: From Crystallography Basics to Methods of Automatic Indexing

Adam Morawiec

Sep 2022 · Springer Series in Materials Science Book 326 · Springer Nature

About this ebook

This book provides a detailed, self-contained description of automatic indexing of crystal diffraction patterns, considering both ab initio indexing and indexing of patterns originating from known structures. Introductory chapters equip the reader with the necessary basic knowledge of geometric crystallography, as well as kinematic and dynamic theories of crystal diffraction. Subsequent chapters delve and describe ab initio indexing of single crystal diffraction patterns and indexing of patterns for orientation determination. The book also reviews methods of indexing powder diffraction and electron spot-type patterns, as well the subject of multigrain indexing. Later chapters are devoted to diffraction by helical structures and quasicrystals, as well as some aspects of lattice parameter refinement and strain determination.
The book is intended equally for materials scientists curious about ‘nuts and bolts’ of diffraction pattern indexing and orientation mapping systems, as well as interdisciplinary researchers from physics, chemistry, and biology involved in crystallographic computing. It provides a rigorous, yet accessible, treatment of the subject matter for graduate students interested in understanding the functioning of diffraction pattern indexing engines.

About the author

Adam Morawiec is currently employed as a professor at the Institute of Metallurgy and Materials Science, part of the Polish Academy of Sciences. His research focuses on anisotropic structures, crystallographic textures of polycrystalline materials, formal description of properties of such materials and on computational issues related to the investigation of textures and microstructures. He is the author of the 2004 Springer book, "Orientations and Rotations: Computations in Crystallographic Textures", and has close to 120 publications on the topics of ab initio indexing, indexing for orientation determination, other aspects of orientation determination and orientation mapping, and diffraction-based determination of local lattice strains.