Study program:
Minerology and Crystallography (VIII semester -MsC) |
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Name of subject: Structure Analysis of Polycrystalline Materials |
Instructors:
Prof. Aleksandar Kremenović |
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Status: Optional |
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ECTS: 5 |
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Prerequisites: Geometrical Crystallography, Crystal Chemistry |
Course Objectives:
The aim of this course is to familiarize students with methods and programs for precise determination of crystallographic parameters of known crystal structure, to determine the representation of particular crystalline phases and their degree of crystallinity, and to solve an unknown structure using data obtained by X-ray diffraction on a polycrystalline sample. |
Learning Outcomes:
During this course, students will learn to use Ritveld method: refine crystallographic parameters of a known structure, determine the quantity of individual phases in a multiphase sample, determine the microstructural parameters of the individual phases, determine the unknown structure from the diffraction data of the polycrystalline sample. |
Content:
Theory teaching
Computer programs for diffraction data collection, manipulation and interpretation. Computer programs for automatic reflection indexation as well as unit cell solution and refinement. Computer programs for powder pattern calculation of a known structure as well as for single pick deconvolution and refinement. Computer program FullProf and whole powder pattern refinement. The Rietveld method I: Basis. Starting parameters selection. Input data. Profile refinement. Peak modeling. Structure refinement. Rietveld method II: Quantitative method. Overlap reflection problem approach. ATZ and Brindley factors. Rietvled method III: Crystal structure solution from powder diffraction data. Rietveld method advantages and disadvantages. Quality of a refinement. Modern instruments and data quality. Graphical presentation of structure electron density. Rietveld method IV: Microstructure parameters determination. Crystallographic database ICSD. Practical teaching
Practical work follow lectures. |
Suggested Reading List:
- Karanović Lj., (1996) Primenjena kristalografija, Univerzitetski udžbenici 10, Beograd
- Young, R.A.(1993), The Rietveld Method, Oxford: University Press.
- Taylor, J.C., (2001) Rietveld made easy: a practical guide to the understanding of the method and successful phase quantifications, Canberra: Sietronics Pty Ltd.
- Pecharsky, Vitalij K. and Peter Y. Zavalij, (2005) Fundamentals of powder diffraction and structural characterization of materials, Springer Science+Business Media, Inc., 233 Spring Street, New York, NY 10013, USA, ISBN 0-387-24147-7 (Soft Cover), E-ISBN
- Powder Diffraction Theory and Practice (2008) Edited by Robert E. Dinnebier and Simon J. L. Billinge, Published by The Royal Society of Chemistry.
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Conduct of the Course:
Students will learn from lectures, practical work, exercises and seminars. |
Fund hours:
| Lectures |
Exercises |
Other forms of teaching |
Study research |
| 2 |
2 |
0 |
0 |
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Assessment:
| Final Exam |
ECTS |
| Oral Exam | 40 |
| Classwork Assessment |
ECTS |
| Class Participationа | 10 | | Written tests | 30 | | Seminars | 20 |
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Additional Assessment Criteria: - |
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