Diffuse Scattering And Defect Structure Simulations

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Diffuse Scattering and Defect Structure Simulations

Author : Reinhard B. Neder
Publisher : OUP Oxford
ISBN 13 : 0191552801
Total Pages : 240 pages
Book Rating : 4.1/5 (915 download)

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Book Synopsis Diffuse Scattering and Defect Structure Simulations by : Reinhard B. Neder

Download or read book Diffuse Scattering and Defect Structure Simulations written by Reinhard B. Neder and published by OUP Oxford. This book was released on 2008-11-20 with total page 240 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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

Author : Reinhard B. Neder
Publisher : Oxford University Press
ISBN 13 : 0199233691
Total Pages : 239 pages
Book Rating : 4.1/5 (992 download)

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Book Synopsis Diffuse Scattering and Defect Structure Simulations by : Reinhard B. Neder

Download or read book Diffuse Scattering and Defect Structure Simulations written by Reinhard B. Neder and published by Oxford University Press. This book was released on 2008-11-20 with total page 239 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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

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Author : Chick C. Wilson
Publisher : World Scientific
ISBN 13 : 9789810237769
Total Pages : 390 pages
Book Rating : 4.2/5 (377 download)

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Book Synopsis Single Crystal Neutron Diffraction from Molecular Materials by : Chick C. Wilson

Download or read book Single Crystal Neutron Diffraction from Molecular Materials written by Chick C. Wilson and published by World Scientific. This book was released on 2000 with total page 390 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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

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Author : Vitalij Pecharsky
Publisher : Springer Science & Business Media
ISBN 13 : 0387095799
Total Pages : 751 pages
Book Rating : 4.3/5 (87 download)

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Book Synopsis Fundamentals of Powder Diffraction and Structural Characterization of Materials, Second Edition by : Vitalij Pecharsky

Download or read book Fundamentals of Powder Diffraction and Structural Characterization of Materials, Second Edition written by Vitalij Pecharsky and published by Springer Science & Business Media. This book was released on 2008-11-24 with total page 751 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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 .

Disordered Alloys

Author :
Publisher :
ISBN 13 :
Total Pages : pages
Book Rating : 4.:/5 (48 download)

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Book Synopsis Disordered Alloys by :

Download or read book Disordered Alloys written by and published by . This book was released on 1998 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:

Atomic Pair Distribution Function Analysis

Author : Simon Billinge
Publisher : Oxford University Press
ISBN 13 : 0198885814
Total Pages : 273 pages
Book Rating : 4.1/5 (988 download)

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Book Synopsis Atomic Pair Distribution Function Analysis by : Simon Billinge

Download or read book Atomic Pair Distribution Function Analysis written by Simon Billinge and published by Oxford University Press. This book was released on 2023-11-23 with total page 273 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

In-situ Characterization of Heterogeneous Catalysts

Author : José A. Rodriguez
Publisher : John Wiley & Sons
ISBN 13 : 1118355911
Total Pages : 488 pages
Book Rating : 4.1/5 (183 download)

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Book Synopsis In-situ Characterization of Heterogeneous Catalysts by : José A. Rodriguez

Download or read book In-situ Characterization of Heterogeneous Catalysts written by José A. Rodriguez and published by John Wiley & Sons. This book was released on 2013-04-17 with total page 488 pages. Available in PDF, EPUB and Kindle. Book excerpt: Helps researchers develop new catalysts for sustainable fueland chemical production Reviewing the latest developments in the field, this bookexplores the in-situ characterization of heterogeneous catalysts,enabling readers to take full advantage of the sophisticatedtechniques used to study heterogeneous catalysts and reactionmechanisms. In using these techniques, readers can learn to improvethe selectivity and the performance of catalysts and how to preparecatalysts as efficiently as possible, with minimum waste. In-situ Characterization of Heterogeneous Catalysts featurescontributions from leading experts in the field of catalysis. Itbegins with an introduction to the fundamentals and thencovers: Characterization of electronic and structural properties ofcatalysts using X-ray absorption fine structure spectroscopy Techniques for structural characterization based on X-raydiffraction, neutron scattering, and pair distribution functionanalysis Microscopy and morphological studies Techniques for studying the interaction of adsorbates withcatalyst surfaces, including infrared spectroscopy, Ramanspectroscopy, EPR, and moderate pressure XPS Integration of techniques that provide information on thestructural properties of catalysts with techniques that facilitatethe study of surface reactions Throughout the book, detailed examples illustrate how techniquesfor studying catalysts and reaction mechanisms can be applied tosolve a broad range of problems in heterogeneous catalysis.Detailed figures help readers better understand how and why thetechniques discussed in the book work. At the end of each chapter,an extensive set of references leads to the primary literature inthe field. By explaining step by step modern techniques for the in-situcharacterization of heterogeneous catalysts, this book enableschemical scientists and engineers to better understand catalystbehavior and design new catalysts for green, sustainable fuel andchemical production.

Powder Diffraction

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Author : R E Dinnebier
Publisher : Royal Society of Chemistry
ISBN 13 : 1782625992
Total Pages : 604 pages
Book Rating : 4.7/5 (826 download)

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Book Synopsis Powder Diffraction by : R E Dinnebier

Download or read book Powder Diffraction written by R E Dinnebier and published by Royal Society of Chemistry. This book was released on 2015-11-09 with total page 604 pages. Available in PDF, EPUB and Kindle. Book excerpt: Powder diffraction is a widely used scientific technique in the characterization of materials with broad application in materials science, chemistry, physics, geology, pharmacology and archaeology. Powder Diffraction: Theory and Practice provides an advanced introductory text about modern methods and applications of powder diffraction in research and industry. The authors begin with a brief overview of the basic theory of diffraction from crystals and powders. Data collection strategies are described including x-ray, neutron and electron diffraction setups using modern day apparatus including synchrotron sources. Data corrections, essential for quantitative analysis are covered before the authors conclude with a discussion of the analysis methods themselves. The information is presented in a way that facilitates understanding the information content of the data, as well as best practices for collecting and analyzing data for quantitative analysis. This long awaited book condenses the knowledge of renowned experts in the field into a single, authoritative, overview of the application of powder diffraction in modern materials research. The book contains essential theory and introductory material for students and researchers wishing to learn how to apply the frontier methods of powder diffraction

Small Angle X-Ray and Neutron Scattering from Solutions of Biological Macromolecules

Author : Dmitri I. Svergun
Publisher : Oxford University Press
ISBN 13 : 0199639531
Total Pages : 369 pages
Book Rating : 4.1/5 (996 download)

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Book Synopsis Small Angle X-Ray and Neutron Scattering from Solutions of Biological Macromolecules by : Dmitri I. Svergun

Download or read book Small Angle X-Ray and Neutron Scattering from Solutions of Biological Macromolecules written by Dmitri I. Svergun and published by Oxford University Press. This book was released on 2013-08-08 with total page 369 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book describes all aspects of the technique of small-angle scattering of X-rays and neutrons, including instrumentation, sample requirements, data interpretation and modelling methods, in a comprehensive way and gives examples of applications in various fields of biophysics and biochemistry.

Basic Concepts of X-Ray Diffraction

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Author : Emil Zolotoyabko
Publisher : John Wiley & Sons
ISBN 13 : 3527681183
Total Pages : 299 pages
Book Rating : 4.5/5 (276 download)

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Book Synopsis Basic Concepts of X-Ray Diffraction by : Emil Zolotoyabko

Download or read book Basic Concepts of X-Ray Diffraction written by Emil Zolotoyabko and published by John Wiley & Sons. This book was released on 2014-02-10 with total page 299 pages. Available in PDF, EPUB and Kindle. Book excerpt: Authored by a university professor deeply involved in X-ray diffraction-related research, this textbook is based on his lectures given to graduate students for more than 20 years. It adopts a well-balanced approach, describing basic concepts and experimental techniques, which make X-ray diffraction an unsurpassed method for studying the structure of materials. Both dynamical and kinematic X-ray diffraction is considered from a unified viewpoint, in which the dynamical diffraction in single-scattering approximation serves as a bridge between these two parts. The text emphasizes the fundamental laws that govern the interaction of X-rays with matter, but also covers in detail classical and modern applications, e.g., line broadening, texture and strain/stress analyses, X-ray mapping in reciprocal space, high-resolution X-ray diffraction in the spatial and wave vector domains, X-ray focusing, inelastic and time-resolved X-ray scattering. This unique scope, in combination with otherwise hard-to-find information on analytic expressions for simulating X-ray diffraction profiles in thin-film heterostructures, X-ray interaction with phonons, coherent scattering of Mossbauer radiation, and energy-variable X-ray diffraction, makes the book indispensable for any serious user of X-ray diffraction techniques. Compact and self-contained, this textbook is suitable for students taking X-ray diffraction courses towards specialization in materials science, physics, chemistry, or biology. Numerous clear-cut illustrations, an easy-to-read style of writing, as well as rather short, easily digestible chapters all facilitate comprehension.

Crystal Structure Analysis

Author : Jenny Pickworth Glusker
Publisher : Oxford University Press
ISBN 13 : 0199576343
Total Pages : 299 pages
Book Rating : 4.1/5 (995 download)

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Book Synopsis Crystal Structure Analysis by : Jenny Pickworth Glusker

Download or read book Crystal Structure Analysis written by Jenny Pickworth Glusker and published by Oxford University Press. This book was released on 2010-05-27 with total page 299 pages. Available in PDF, EPUB and Kindle. Book excerpt: The purpose of this book is to explain why molecular structure can be determined by single-crystal diffraction of X rays. It is not an account of the practical procedural details, but rather an account of the underlying physical principles, and the kinds of experiments and methods of handling the experimental data that are used.

Crystal Structure Analysis

Author : Alexander J Blake
Publisher : OUP Oxford
ISBN 13 : 0191569941
Total Pages : 408 pages
Book Rating : 4.1/5 (915 download)

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Book Synopsis Crystal Structure Analysis by : Alexander J Blake

Download or read book Crystal Structure Analysis written by Alexander J Blake and published by OUP Oxford. This book was released on 2009-06-18 with total page 408 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

International Tables for Crystallography, Volume B

Author : Uri Shmueli
Publisher : Springer Science & Business Media
ISBN 13 : 9781402082054
Total Pages : 704 pages
Book Rating : 4.0/5 (82 download)

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Book Synopsis International Tables for Crystallography, Volume B by : Uri Shmueli

Download or read book International Tables for Crystallography, Volume B written by Uri Shmueli and published by Springer Science & Business Media. This book was released on 2008-08-27 with total page 704 pages. Available in PDF, EPUB and Kindle. Book excerpt: International Tables for Crystallography are no longer available for purchase from Springer. For further information please contact Wiley Inc. (follow the link on the right hand side of this page). Volume B presents accounts of the numerous aspects of reciprocal space in crystallographic research. After an introductory chapter, Part 1 presents the reader with an account of structure-factor formalisms, an extensive treatment of the theory, algorithms and crystallographic applications of Fourier methods, and fundamental as well as advanced treatments of symmetry in reciprocal space. In Part 2, these general accounts are followed by detailed expositions of crystallographic statistics, the theory of direct methods, Patterson techniques, isomorphous replacement and anomalous scattering, and treatments of the role of electron microscopy and diffraction in crystal structure determination, including applications of direct methods to electron crystallography. Part 3 deals with applications of reciprocal space to molecular geometry and `best'-plane calculations, and contains a treatment of the principles of molecular graphics and modelling and their applications. A convergence-acceleration method of importance in the computation of approximate lattice sums is presented and the part concludes with a discussion of the Ewald method. Part 4 contains treatments of various diffuse-scattering phenomena arising from crystal dynamics, disorder and low dimensionality (liquid crystals), and an exposition of the underlying theories and/or experimental evidence. Polymer crystallography and reciprocal-space images of aperiodic crystals are also treated. Part 5 of the volume contains introductory treatments of the theory of the interaction of radiation with matter (dynamical theory) as applied to X-ray, electron and neutron diffraction techniques. The simplified trigonometric expressions for the structure factors in the 230 three-dimensional space groups, which appeared in Volume I of International Tables for X-ray Crystallography, are now given in Appendix 1.4.3 to Chapter 1.4 of this volume. Volume B is a vital addition to the library of scientists engaged in crystal structure determination, crystallographic computing, crystal physics and other fields of crystallographic research. Graduate students specializing in crystallography will find much material suitable for self-study and a rich source of references to the relevant literature.

Symmetry Relationships between Crystal Structures

Author : Ulrich Müller
Publisher : OUP Oxford
ISBN 13 : 0191648795
Total Pages : 352 pages
Book Rating : 4.1/5 (916 download)

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Book Synopsis Symmetry Relationships between Crystal Structures by : Ulrich Müller

Download or read book Symmetry Relationships between Crystal Structures written by Ulrich Müller and published by OUP Oxford. This book was released on 2013-04-04 with total page 352 pages. Available in PDF, EPUB and Kindle. Book excerpt: In crystal chemistry and crystal physics, the relations between the symmetry groups (space groups) of crystalline solids are of special importance. Part 1 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 2 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 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 reactions in the solid state, to understand the formation of domains and twins in crystals, and to avoid errors in crystal structure determinations. A broad range of end-of-chapter exercises offers the possibility to apply the learned material. Worked-out solutions to the exercises can be found at the end of the book.

Structural Crystallography of Inorganic Oxysalts

Author : Sergey V. Krivovichev
Publisher : OUP Oxford
ISBN 13 : 0191549983
Total Pages : 324 pages
Book Rating : 4.1/5 (915 download)

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Book Synopsis Structural Crystallography of Inorganic Oxysalts by : Sergey V. Krivovichev

Download or read book Structural Crystallography of Inorganic Oxysalts written by Sergey V. Krivovichev and published by OUP Oxford. This book was released on 2009-01-22 with total page 324 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book is the first book dealing with structural crystallography of inorganic oxysalts in general. A special emphasis is placed upon structural topology and methods of its description. The latter include graph theory, nets, 2-D and 3-D tilings, polyhedra, etc. The structures considered range from minerals to organically templated oxysalts, for all of which this book provides a unified approach to structure interpretation and classification. Most of the structures have been analysed from the proposed viewpoint for the first time and it has been shown that they possess the same topological genealogy and relationships, sometimes despite their obvious chemical differences. In order to expand the range of oxysalts considered, the book offers not only traditional schemes but also alternative approaches such as anion topologis, anion-centered polyhedra and cation arrays. As such, this book can be considered as a comprehensive introduction into the amazingly complex and diverse world of inorganic oxysalts.

Biological Small Angle Scattering

Author : Eaton E. Lattman
Publisher : Oxford University Press
ISBN 13 : 0191649899
Total Pages : 248 pages
Book Rating : 4.1/5 (916 download)

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Book Synopsis Biological Small Angle Scattering by : Eaton E. Lattman

Download or read book Biological Small Angle Scattering written by Eaton E. Lattman and published by Oxford University Press. This book was released on 2018-07-04 with total page 248 pages. Available in PDF, EPUB and Kindle. Book excerpt: Small angle solution scattering (SAS) is increasingly being applied to biological problems. It is a complementary technique that, when applied in appropriate circumstances with carefully structured questions, can provide unique information not available from other techniques. While small angle solution scattering has been around for some time, a confluence of recent developments has dramatically enhanced its power. Intense third generation X-ray sources, low noise detectors, development of new algorithms and the computational power to take advantage of these have all matured, and use of free-electron x-ray laser sources is on the horizon. Whole new classes of experiments and analyses have been created as a result. These include the generation of molecular envelopes, the ability to do time-resolved studies, and the ability to account for structural changes using modelling based on the SAS data. The technical improvements have also reduced the amount of time and material needed to carry out an experiment. Beamtime at synchrotron sources is in demand, workshops on the subject are popular and researchers adopting the technique as part of their repertoire are growing. With these in mind, this book was written to guide structural biologists who may wish to adopt the technique, understand its strengths and weaknesses or just have a general interest in its potential.

25th Annual Conference of the German Crystallographic Society, March 27-30, 2017, Karlsruhe, Germany

Author :
Publisher : Walter de Gruyter GmbH & Co KG
ISBN 13 : 3110547155
Total Pages : 146 pages
Book Rating : 4.1/5 (15 download)

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Book Synopsis 25th Annual Conference of the German Crystallographic Society, March 27-30, 2017, Karlsruhe, Germany by :

Download or read book 25th Annual Conference of the German Crystallographic Society, March 27-30, 2017, Karlsruhe, Germany written by and published by Walter de Gruyter GmbH & Co KG. This book was released on 2017-03-20 with total page 146 pages. Available in PDF, EPUB and Kindle. Book excerpt: Zeitschrift für Kristallographie. Supplement Volume 37 presents the complete Abstracts of all contributions to the 25th Annual Conference of the German Crystallographic Society in Karlsruhe (Germany) 2017: - Plenary Talks - Microsymposia - Poster Session Supplement Series of Zeitschrift für Kristallographie publishes Abstracts of international conferences on the interdisciplinary field of crystallography.