Diffuse X-Ray Scattering and Models of Disorder PDF Download
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Author: Thomas Richard Welberry
Publisher: OUP Oxford
ISBN: 0191523763
Category : Science
Languages : en
Pages : 281
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Book Description
Diffuse X-ray scattering is a rich (virtually untapped) source of local structural information over and above that obtained by conventional crystal structure determination (crystallography). The main aim in the book is to show how computer simulation of a model crystal provides a general method by which diffuse scattering of all kinds and from all types of materials can be interpreted and analysed. Part I of the book gives a description of the experimental methods used to obtain diffuse scattering data. Part II describes a number of simple stochastic models of disorder, which allows various concepts to be established and enables simple examples to be generated to illustrate key principles. Part III describes example studies of a wide variety of real materials. These examples not only document the development of computer simulation methods for investigating and analysing disorder problems but also provide a resource for helping future researchers recognise the kinds of effects which can occur and for pointing the way to tackling new problems which are encountered.
Author: Thomas Richard Welberry
Publisher: OUP Oxford
ISBN: 0191523763
Category : Science
Languages : en
Pages : 281
Get Book Here
Book Description
Diffuse X-ray scattering is a rich (virtually untapped) source of local structural information over and above that obtained by conventional crystal structure determination (crystallography). The main aim in the book is to show how computer simulation of a model crystal provides a general method by which diffuse scattering of all kinds and from all types of materials can be interpreted and analysed. Part I of the book gives a description of the experimental methods used to obtain diffuse scattering data. Part II describes a number of simple stochastic models of disorder, which allows various concepts to be established and enables simple examples to be generated to illustrate key principles. Part III describes example studies of a wide variety of real materials. These examples not only document the development of computer simulation methods for investigating and analysing disorder problems but also provide a resource for helping future researchers recognise the kinds of effects which can occur and for pointing the way to tackling new problems which are encountered.
Author: T. R. Welberry
Publisher: Oxford University Press
ISBN: 0192607405
Category : Science
Languages : en
Pages : 400
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Book Description
Diffuse X-ray scattering is a rich source of local structural information over and above that obtained by conventional crystal structure determination. The main aim of the book is to show how computer simulation of a model crystal provides a general method by which diffuse scattering of all kinds and from all types of materials can be interpreted and analysed. Since the first edition was published in 2004 there have been major improvements both in the experimental methods for recording diffuse scattering and in our ability to analyse it. The advent of new and better detectors means that fully 3-dimensional diffuse scattering data can be collected routinely for even quite small samples and computational power that is now available has continued its upward trend, meaning modelling calculations inconceivable in 2004 are now routine. The final part of the book traces these recent developments and outlines their future potential in the field.
Author: Thomas Richard Welberry
Publisher:
ISBN:
Category : X-ray crystallography
Languages : en
Pages : 266
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Book Description
Author: Reinhard B. Neder
Publisher: Oxford University Press
ISBN: 0199233691
Category : Computers
Languages : en
Pages : 239
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Book Description
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.
Author: Jerry L. Atwood
Publisher: CRC Press
ISBN: 1482258161
Category : Science
Languages : en
Pages : 1745
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Book Description
The two-volume Encyclopedia of Supramolecular Chemistry offers authoritative, centralized information on a rapidly expanding interdisciplinary field. User-friendly and high-quality articles parse the latest supramolecular advancements and methods in the areas of chemistry, biochemistry, biology, environmental and materials science and engineering, physics, computer science, and applied mathematics. Designed for specialists and students alike, the set covers the fundamentals of supramolecular chemistry and sets the standard for relevant future research.
Author: Prof Simon (Professor of Materials Science and of Applied Physics and of Applied Mathematics Billinge, Department of Applied Physics and Applied Mathematics Columbia University )
Publisher: Oxford University Press
ISBN: 0198885806
Category : X-ray crystallography
Languages : en
Pages : 273
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Book Description
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.
Author: Alexander J Blake
Publisher: OUP Oxford
ISBN: 0191569941
Category : Science
Languages : en
Pages : 406
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Book Description
This text focuses on the practical aspects of crystal structure analysis, and provides the necessary conceptual framework for understanding and applying the technique. By choosing an approach that does not put too much emphasis on the mathematics involved, the book gives practical advice on topics such as growing crystals, solving and refining structures, and understanding and using the results. The technique described is a core experimental method in modern structural chemistry, and plays an ever more important role in the careers of graduate students, postdoctoral and academic staff in chemistry, and final-year undergraduates. Much of the material of the first edition has been significantly updated and expanded, and some new topics have been added. The approach to several of the topics has changed, reflecting the book's new authorship, and recent developments in the subject.
Author: Jenny Pickworth Glusker
Publisher: OUP Oxford
ISBN: 0191604240
Category : Science
Languages : en
Pages : 299
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Book Description
This book aims to explain how and why the detailed three-dimensional architecture of molecules can be determined by an analysis of the diffraction patterns obtained when X rays or neutrons are scattered by the atoms in single crystals. Part 1 deals with the nature of the crystalline state, diffraction generally, and diffraction by crystals in particular, and, briefly, the experimental procedures that are used. Part II examines the problem of converting the experimentally obtained data into a model of the atomic arrangement that scattered these beams. Part III is concerned with the techniques for refining the approximate structure to the degree warranted by the experimental data. It also describes the many types of information that can be learned by modern crystal structure analysis. There is a glossary of terms used and several appendixes to which most of the mathematical details have been relegated.
Author: A. Guinier
Publisher: Courier Corporation
ISBN: 0486141349
Category : Science
Languages : en
Pages : 404
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Book Description
Exploration of fundamentals of x-ray diffraction theory using Fourier transforms applies general results to various atomic structures, amorphous bodies, crystals, and imperfect crystals. 154 illustrations. 1963 edition.
Author: Ulrich Müller
Publisher: Oxford University Press
ISBN: 0192674102
Category : Science
Languages : en
Pages : 401
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Book Description
In crystal chemistry and crystal physics, the relations between the symmetry groups (space groups) of crystalline solids are of particular importance. Part I of this book presents the necessary mathematical foundations and tools: the fundamentals of crystallography with special emphasis on symmetry, the theory of the crystallographic groups, and the formalisms of the needed crystallographic computations. Part II gives an insight into applications to problems in crystal chemistry. With the aid of numerous examples, it is shown how crystallographic group theory can be used to make evident the relationships between crystal structures, to set up a systematic order in the huge amount of known crystal structures, to predict crystal structures, to analyse phase transitions and topotactic chemical reactions in the solid state, to understand the formation of domains and twins in crystals, and to avoid errors in crystal structure determinations. Part III delves further into some specific topics, namely the isomorphic subgroups of space groups, the theory of phase transitions, and computer programs dedicated to crystallographic group theory. In this new edition, several topics have been extended to cover the latest scientific findings, a new chapter has been added dealing with pertinent computer programs, and references have been updated.
