Analysis Strategy of Powder Diffraction Data with 2-D Detector

Analysis Strategy of Powder Diffraction Data with 2-D Detector
Author:
Publisher:
Total Pages: 24
Release: 2006
Genre:
ISBN:

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To gain a clearer understanding of orientation and grain deformation of crystalline materials, x-ray powder diffraction has played an integral role in extracting three-dimensional structural information from one-dimensional diffraction patterns. Powder diffraction models identical geometry to the intersection of a normal right cone with a plane. The purpose of this paper is to develop a general expression defining the conic sections based on the geometry of a powder diffraction experiment. Applying the derived formulation of a diffraction arc to experimental data will give insight to the molecular and structural properties of the sample in question. Instead of using complex three-dimensional Euclidian geometry, we define the problem solving technique with a simpler two-dimensional transformation approach to arrive at the final equation describing the conic sections. Using the diffraction geometry parameters, we can use this equation to calibrate the diffractometer from the diffraction pattern of a known reference material, or to determine the crystalline lattice structure of the compound.

Two-dimensional X-ray Diffraction

Two-dimensional X-ray Diffraction
Author: Bob B. He
Publisher: John Wiley & Sons
Total Pages: 488
Release: 2018-06-26
Genre: Science
ISBN: 1119356105

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An indispensable resource for researchers and students in materials science, chemistry, physics, and pharmaceuticals Written by one of the pioneers of 2D X-Ray Diffraction, this updated and expanded edition of the definitive text in the field provides comprehensive coverage of the fundamentals of that analytical method, as well as state-of-the art experimental methods and applications. Geometry convention, x-ray source and optics, two-dimensional detectors, diffraction data interpretation, and configurations for various applications, such as phase identification, texture, stress, microstructure analysis, crystallinity, thin film analysis, and combinatorial screening are all covered in detail. Numerous experimental examples in materials research, manufacture, and pharmaceuticals are provided throughout. Two-dimensional x-ray diffraction is the ideal, non-destructive analytical method for examining samples of all kinds including metals, polymers, ceramics, semiconductors, thin films, coatings, paints, biomaterials, composites, and more. Two-Dimensional X-Ray Diffraction, Second Edition is an up-to-date resource for understanding how the latest 2D detectors are integrated into diffractometers, how to get the best data using the 2D detector for diffraction, and how to interpret this data. All those desirous of setting up a 2D diffraction in their own laboratories will find the author’s coverage of the physical principles, projection geometry, and mathematical derivations extremely helpful. Features new contents in all chapters with most figures in full color to reveal more details in illustrations and diffraction patterns Covers the recent advances in detector technology and 2D data collection strategies that have led to dramatic increases in the use of two-dimensional detectors for x-ray diffraction Provides in-depth coverage of new innovations in x-ray sources, optics, system configurations, applications and data evaluation algorithms Contains new methods and experimental examples in stress, texture, crystal size, crystal orientation and thin film analysis Two-Dimensional X-Ray Diffraction, Second Edition is an important working resource for industrial and academic researchers and developers in materials science, chemistry, physics, pharmaceuticals, and all those who use x-ray diffraction as a characterization method. Users of all levels, instrument technicians and X-ray laboratory managers, as well as instrument developers, will want to have it on hand.

Powder Diffraction

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

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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.

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

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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.

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

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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:
Publisher: DIANE Publishing
Total Pages: 18
Release: 1995
Genre:
ISBN: 9781422318324

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Two-Dimensional X-Ray Diffraction

Two-Dimensional X-Ray Diffraction
Author: Bob B. He
Publisher: John Wiley & Sons
Total Pages: 359
Release: 2011-09-20
Genre: Science
ISBN: 1118210751

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Written by one of the pioneers of 2D X-Ray Diffraction, this useful guide covers the fundamentals, experimental methods and applications of two-dimensional x-ray diffraction, including geometry convention, x-ray source and optics, two-dimensional detectors, diffraction data interpretation, and configurations for various applications, such as phase identification, texture, stress, microstructure analysis, crystallinity, thin film analysis and combinatorial screening. Experimental examples in materials research, pharmaceuticals, and forensics are also given. This presents a key resource to researchers in materials science, chemistry, physics, and pharmaceuticals, as well as graduate-level students in these areas.

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

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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 .

Fundamentals of Powder Diffraction and Structural Characterization of Materials

Fundamentals of Powder Diffraction and Structural Characterization of Materials
Author: Vitalij Pecharsky
Publisher: Springer Science & Business Media
Total Pages: 752
Release: 2003-05-31
Genre: Technology & Engineering
ISBN: 9781402073656

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Requires no prior knowledge of the subject, but is comprehensive and detailed making it useful for both the novice and experienced user of the powder diffraction method. Useful for any scientific or engineering background, where precise structural information is required. Comprehensively describes the state-of-the-art in structure determination from powder diffraction data both theoretically and practically using multiple examples of varying complexity. Pays particular attention to the utilization of Internet resources, especially the well-tested and freely available computer codes designed for processing of powder diffraction data.