De Gruyter Stem Ser.: Rietveld Refinement : Practical Powder Diffraction Pattern Analysis Using TOPAS by Andreas Leineweber, Robert E. Dinnebier and John S. O. Evans (2018, Trade Paperback)
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SubjectPhysics / Condensed Matter, Physics / Crystallography, Radiation, Earth Sciences / General, Physics / General
TypeTextbook
AuthorAndreas Leineweber, Robert E. Dinnebier, John S. O. Evans
Subject AreaScience
SeriesDe Gruyter Stem Ser.
FormatTrade Paperback
Dimensions
Item Weight23.1 Oz
Item Length9.4 in
Item Width6.7 in
Additional Product Features
Intended AudienceScholarly & Professional
LCCN2018-954391
Reviews"Dinnebier, Leineweber and Evans have done an outstanding job of explaining the fundamentals of the method and summarizing the exciting new developments. With this book, the reader can find answers to two questions: what information is stored in a powder diffraction pattern, and how to extract that information using TOPAS. I particularly like this combination of theory and practice and I wholeheartedly recommend this excellent read to any user of the powder diffraction method." Tomce Runcevski in: Journal of Applied Crystallography 52 (2019), https://doi.org/10.1107/S1600576719011178
Grade FromCollege Graduate Student
IllustratedYes
Grade ToCollege Graduate Student
Table Of Content- Basics of powder diffraction - The Rietveld formula - Whole Powder Pattern Fitting (Pawley, LeBail, Rietveld) - Concept of Convolution - Deriving the instrumental resolution function - Global versus local optimization - Structure determination - Fourier analysis - Isotropic and anisotropic microstructural properties - Rigid bodies, constraints, restraints - Sequential versus parametric Rietveld refinement - Symmetry and rotational modes - Modelling stacking faults - Quantitative phase analysis - Determination of amorphous content - Agreement factors - Macro programming
SynopsisAlmost 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., 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.