Diffuse Scattering and Defect Structure Simulations - read free eBook in online reader or directly download on the web page. Select files or add your book in reader. Download and read online ebook Diffuse Scattering and Defect Structure Simulations write by Reinhard B. Neder. This book was released on 2008-11-20. Diffuse Scattering and Defect Structure Simulations available in PDF, EPUB and Kindle. In recent years it has become apparent that knowing the average atomic structure of materials is insufficient to understand their properties. Diffuse scattering in addition to the Bragg scattering holds the key to learning about defects in materials, the topic of many recent books. What has been missing is a detailed step-by-step guide how to simulate disordered materials. The DISCUS cook book fills this need covering simple topics such as building a computer crystal to complex topic such as domain structures, stacking faults or using advanced refinement techniques to adjust parameters on a disordered model. The book contains a CDROM with all files needed to recreate every example given using the program DISCUS. The reader is free to follow the principles behind simulating disordered materials or to get down into the details and run or modify the given examples.
Diffuse Scattering and Defect Structure Simulations
Diffuse Scattering and Defect Structure Simulations - read free eBook in online reader or directly download on the web page. Select files or add your book in reader. Download and read online ebook Diffuse Scattering and Defect Structure Simulations write by Reinhard B. Neder. This book was released on 2008-11-20. Diffuse Scattering and Defect Structure Simulations available in PDF, EPUB and Kindle. Understanding the atomic structure of complex and time disordered materials relies upon computer simulations of these structures. This cook book provides a unique mixture of simulation know-how and hands on examples. All related files and the program DISCUS are included on a CDROM with the book.
Single Crystal Neutron Diffraction from Molecular Materials
Single Crystal Neutron Diffraction from Molecular Materials - read free eBook in online reader or directly download on the web page. Select files or add your book in reader. Download and read online ebook Single Crystal Neutron Diffraction from Molecular Materials write by Chick C. Wilson. This book was released on 2000. Single Crystal Neutron Diffraction from Molecular Materials available in PDF, EPUB and Kindle. This important book presents a comprehensive account of the techniques & applications of single crystal neutron diffraction in the area of chemical crystallography & molecular structure. Beginning with a brief description of the general principles & the reasons for choosing the technique - the "why" - the book covers the methods for both the production of neutrons & the measurement of their scattering by molecular crystals - the "how" - followed by a detailed survey of past, present & future applications - the "what". The coverage of both steady state & pulsed neutron sources & instrumentation is extensive, while the survey of applications is the most comprehensive yet undertaken. The book endeavours to show why the technique is an essential method for studying areas as diverse as hydrogen bonding & weak interactions, organometallics, supramolecular chemistry & crystal engineering, metal hydrides, charge density & pharmaceuticals. It is an ideal reference source for the research worker interested in using neutron diffraction to study the structure of molecules. Contents: Crystallography & the Importance of Structural Information; Neutron Scattering; Neutron Diffractometers; Review of Applications I: The Accurate Location of Atoms; Review of Applications II: Hydrogen Bonding & Other Intermolecular Interactions; Review of Applications III: Probing Vibrations & Disorder; Impact on Material Properties & Design; The Future: New Instruments, New Sources, New Techniques. Readership: Students & researchers involved in structural science, especially chemical crystallography.
Fundamentals of Powder Diffraction and Structural Characterization of Materials, Second Edition
Fundamentals of Powder Diffraction and Structural Characterization of Materials, Second Edition - read free eBook in online reader or directly download on the web page. Select files or add your book in reader. Download and read online ebook Fundamentals of Powder Diffraction and Structural Characterization of Materials, Second Edition write by Vitalij Pecharsky. This book was released on 2008-11-24. Fundamentals of Powder Diffraction and Structural Characterization of Materials, Second Edition available in PDF, EPUB and Kindle. 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 .
Atomic Pair Distribution Function Analysis
Atomic Pair Distribution Function Analysis - read free eBook in online reader or directly download on the web page. Select files or add your book in reader. Download and read online ebook Atomic Pair Distribution Function Analysis write by Simon Billinge. This book was released on 2023-11-08. Atomic Pair Distribution Function Analysis available in PDF, EPUB and Kindle. Since the early 1990s the atomic pair distribution function (PDF) analysis of powder diffraction data has undergone something of a revolution in its ability to do just that: yield important structural information beyond the average crystal structure of a material. With the advent of advanced sources, computing and algorithms, it is now useful for studying the structure of nanocrystals, clusters and molecules in solution or otherwise disordered in space, nanoporous materials and things intercalated into them, and to look for local distortions and defects in crystals. It can be used in a time-resolved way to study structural changes taking place during synthesis and in operating devices, and to map heterogeneous systems. Although the experiments are somewhat straightforward, there can be a gap in knowledge when trying to use PDF to extract structural information by modelling. This book addresses this gap and guides the reader through a series of real life worked examples that gradually increase in complexity so the reader can have the independence and confidence to apply PDF methods to their own research and answer their own scientific questions. The book is intended for graduate students and other research scientists who are new to PDF and want to use the methods but are unsure how to take the next steps to get started.
