Rietveld Refinement

Rietveld Refinement
Author: Robert E. Dinnebier
Publisher: Walter de Gruyter GmbH & Co KG
Total Pages: 347
Release: 2018-12-17
Genre: Science
ISBN: 3110461382

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.

The Rietveld Method

The Rietveld Method
Author: Robert Alan Young
Publisher: International Union of Crystallography
Total Pages: 316
Release: 1995
Genre: Science
ISBN:

The Rietveld method is a powerful and relatively new method for extracting detailed crystal structural information from X-ray and neutron powder diffraction data. Since then structural details dictate much of the physical and chemical attributes of materials, knowledge of them is crucial toour understanding of those properties and our ability to manipulate them. Since most materials of technological interest are not available as single crystals but often are available only in polycrystalline or powder form, the Rietveld method has become very important and is now widely used in allbranches of science that deal with materials at the atomic level.

Modern Powder Diffraction

Modern Powder Diffraction
Author: David L. Bish
Publisher: Walter de Gruyter GmbH & Co KG
Total Pages: 384
Release: 2018-12-17
Genre: Science
ISBN: 1501509012

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.

Powder Diffraction

Powder Diffraction
Author: Georg Will
Publisher: Springer Science & Business Media
Total Pages: 232
Release: 2006-01-26
Genre: Science
ISBN: 3540279865

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.

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

Fundamentals of Powder Diffraction and Structural Characterization of Materials, Second Edition
Author: Vitalij Pecharsky
Publisher: Springer Science & Business Media
Total Pages: 751
Release: 2008-11-24
Genre: Science
ISBN: 0387095799

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 .

Radiation in Art and Archeometry

Radiation in Art and Archeometry
Author: D.C. Creagh
Publisher: Elsevier
Total Pages: 519
Release: 2000-06-14
Genre: Social Science
ISBN: 0080540198

/inca/publications/misc/creaghcov.htmAbout the cover This book contains twenty chapters covering a wide range of research in the fields of scientific conservation of art and archaeometry. The common thread is the use of radiation in these analyses. The term "radiation" is used in the widest possible sense. The book encompasses the use of electromagnetic radiation in its microwave, infrared, visible, ultraviolet, x ray and &ggr; ray forms and the use of particulate forms such as electrons, neutrons and charged particles for which the Planck's Law relation applies. In many cases there is an interplay between the two forms: for example, proton induced x ray emission (PIXE), secondary ion mass spectrometry (SIMS). As far as possible the chapters have been arranged in order of ascending particle energy. Thus it commences with the use of microwaves and finishes with the use of &ggr; rays. The authors were chosen on the basis of their expertise as practitioners of their particular field of study. This means that, for example, the mature fields of study such as the IR and UV study of paintings have been written by senior researchers, whereas for the emerging fields of synchrotron and neutron techniques the chapters have been written by talented researchers at the commencement of their careers.

Diffraction Analysis of the Microstructure of Materials

Diffraction Analysis of the Microstructure of Materials
Author: Eric J. Mittemeijer
Publisher: Springer Science & Business Media
Total Pages: 557
Release: 2013-11-21
Genre: Science
ISBN: 3662067234

Overview of diffraction methods applied to the analysis of the microstructure of materials. Since crystallite size and the presence of lattice defects have a decisive influence on the properties of many engineering materials, information about this microstructure is of vital importance in developing and assessing materials for practical applications. The most powerful and usually non-destructive evaluation techniques available are X-ray and neutron diffraction. The book details, among other things, diffraction-line broadening methods for determining crystallite size and atomic-scale strain due, e.g. to dislocations, and methods for the analysis of residual (macroscale) stress. The book assumes only a basic knowledge of solid-state physics and supplies readers sufficient information to apply the methods themselves.

Combined Analysis

Combined Analysis
Author: Daniel Chateigner
Publisher: John Wiley & Sons
Total Pages: 382
Release: 2013-03-04
Genre: Technology & Engineering
ISBN: 1118622642

This book introduces and details the key facets of Combined Analysis—an x-ray and/or neutron scattering methodology which combines structural, textural, stress, microstructural, phase, layer, or other relevant variable or property analyses in a single approach. The author starts with basic theories related to diffraction by polycrystals and some of the most common combined analysis instrumental set-ups are detailed. Powder diffraction data treatment is introduced and in particular, the Rietveld analysis is discussed. The book also addresses automatic phase indexing—a necessary step to solve a structure ab initio. Since its effect prevails on real samples where textures are often stabilized, quantitative texture analysis is also detailed. Also discussed are microstructures of powder diffraction profiles; quantitative phase analysis from the Rietveld analysis; residual stress analysis for isotropic and anisotropic materials; specular x-ray reflectivity, and the various associated models. Finally, the book introduces the combined analysis concept, showing how it is superior to the view presented when we look at only one part of the analyses. This book shows that the existence of texture in a specimen can be envisaged as a way to decouple ordinarily strongly correlated parameters, as measured for instance in powder diagrams, and to examine and detail deeper material characterizations in a single methodology.