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Diffuse Scattering and Defect Structure Simulations

2008-11-20 Science
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Release : 2008-11-20
Genre : Science
Kind : eBook
Book Rating : 801/5 ( reviews)

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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. This book was released on 2008-11-20. 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

2008-11-20 Computers
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Release : 2008-11-20
Genre : Computers
Kind : eBook
Book Rating : 691/5 ( reviews)

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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. This book was released on 2008-11-20. 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.

Disordered Alloys

1998 Science
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Release : 1998
Genre : Science
Kind : eBook
Book Rating : 454/5 ( reviews)

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Book Synopsis Disordered Alloys by : Werner Schweika

Download or read book Disordered Alloys written by Werner Schweika. This book was released on 1998. Available in PDF, EPUB and Kindle. Book excerpt: This monograph reviews the subject of structural disorder in alloys and describes how structural information can be exploited to build sound theoretical descriptions in terms of modified Ising models. Scattering with thermal neutrons and x-rays prove to be complementary approaches to measure the weak diffuse scattering which provides detailed information about the disorder. The authors show how Monte Carlo methods are applied to determine the most realistic effective interactions among the alloying atoms. These results can be used as a benchmark for modern electronic structure calculations. Of more general interest, the limitations of scattering experiments in a determination of an interaction model, and thus also of the structure itself are discussed. Finally, simulations exhibit not only near-surface disordering due to frustration effects but also new possible surface - induced ordering phenomena. Accurate Monte Carlo simulations are used to test existing theories of wetting.

Single Crystal Neutron Diffraction from Molecular Materials

2000 Science
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Release : 2000
Genre : Science
Kind : eBook
Book Rating : 769/5 ( reviews)

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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. This book was released on 2000. 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

2008-11-24 Science
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Release : 2008-11-24
Genre : Science
Kind : eBook
Book Rating : 799/5 ( reviews)

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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. This book was released on 2008-11-24. 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 .

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