Diffuse Scattering and Defect Structure Simulations: A cook book using the program DISCUS

Hardcover | November 20, 2008

byReinhard B. Neder, Thomas Proffen

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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 hasbeen 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 parameterson 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.

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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 hasbeen missing is a detailed step-by-step guide ...

Professor Reinhard Neder My MSc thesis at Arizona State University involved HRTEM and electron diffraction. After having received my PhD in crystallography at the Ludwig-Maximilians University, Munchen, Germany, I stayed on as Post Doctorial Fellow at the same department. From 1997 until 2007 I held a professorship for crystallogra...
Format:HardcoverDimensions:240 pages, 9.69 × 7.44 × 0.66 inPublished:November 20, 2008Publisher:Oxford University PressLanguage:English

The following ISBNs are associated with this title:

ISBN - 10:0199233691

ISBN - 13:9780199233694

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Table of Contents

1. Introduction2. How to run DISCUS3. Making computer crystals4. Simulating experimental data5. Correlations and creating short-range order6. Creating modulations7. Creating structures with stacking faults8. Creating domain structures9. Creating nanoparticles10. Analysing disordered structures11. Refining disordered structuresAppendix A: CD-ROMAppendix B: Answers to exercises