COURSE OBJECTIVE
Indicate the possibilities of researching materials by X - ray diffraction. Provide the theoretical background necessary for the successful implementation of analyzes and interpretation of results. Conduct training in practical work on an X-ray diffraction apparatus. Indicate the possibilities of using the technique in the analysis of materials and the development of new materials.
COURSE IMPLEMENTATION PROGRAM
1. The discovery of of X-rays. Historical development of X-ray diffraction methods.
2. Safety in working with X-rays. Units of measurement related to ionizing radiation. Biological effects of radiation, precautions when working with ionizing radiation.
3. The concept of structure. Crystalline and amorphous state. Single crystal and polycrystalline material. Factors that define structure. Types of structures.
4. Crystallography. Crystal systems. Symmetric operations. Elements of symmetry. Point groups.
5. Bravais lattices. Symmetry operations with translation. Spatial groups. Description of crystal structure. Miller indices.
6. Generation of X-rays. X-ray properties. X-ray spectrum, continuous and discontinuous radiation.
7. Phenomena that occur during irradiation of material with X-rays, absorption and diffraction of X-rays. Laue's equations. Bragg's equation.
L.P. Working with an X-ray diffraction apparatus.
8. Factors influencing X-ray intensity: Atomic and structural factor. Systematic absences. Absorption factor. Lorentz-polarization factor. Temperature factor. Multiplicity.
L.P. X-ray qualitative analysis, use of Hanawalt system.
I. Particl exam
9. Methods of conducting X-ray diffraction experiment. Methods for polycrystalline sample. Diffractometer method. Diffractometer geometry. Optics. Monochromators. Detectors. Sample holders. Sample preparation.
L.P. X-ray qualitative analysis, use of computer program.
10. X-ray qualitative analysis, ICDD database. Qualitative analysis of complex systems. Practical tips for successful analysis. Detection limit. The most common errors. Related to: radiation, device geometry, sample position, sample itself.
V. X-ray quantitative analysis.
11. X-ray quantitative analysis: methods of external and internal standard, standard addition and RIR. Determining of unit cell constants. Monitoring changes in the composition of solid solutions. Dynamic X-ray diffraction.
L.P. Determination of unit cell constants.
12. Determination of crystallite size and strain. Scherrer's equation. Determination of the width of diffraction maxima. Microstrain and macrostrain. Stokes and Wilson equation. Williamson-Hall analysis.
L.P. Determination of the crystallite size.
13. X-ray structural analysis. Rietveld analysis. Analytical expression for an approximate description of a diffractogram. Parameter initialization and analysis flow. Quantitative indicators of analysis quality.
II. Partial exam
DEVELOPING GENERAL AND SPECIFIC COMPETENCIES OF STUDENTS
Acquiring knowledge of crystallography and X-ray diffraction. Understanding the crystalline nature of a material and its influence on properties. Understanding of the operation principles of different segments of the X-ray powder diffractometer. Training for work on X-ray powder diffractometer, processing and interpretation of the obtained data. Knowledge of hazards when working with ionizing radiation and knowledge and application of protection measures.
STUDENT OBLIGATIONS IN TEACHING AND THE WAY OF THEIR EXECUTION
Students are encouraged to attend lectures and are required to attend lab practice and attend partial exam.
TEACHING METHODS
Classes will be conducted by oral presentation with a PowerPoint presentation. The practices are of the laboratory type.
MANNER OF EXAMINATION OF KNOWLEDGE AND EXAMINATION
Partial exam, written exam only if the student does not pass partial exams. In addition to the success in the partial exam or the exam, the entire student's work will be taken into account in the assessment.
METHOD OF MONITORING THE QUALITY AND PERFORMANCE OF COURSES
Student survey
COURSE LEARNING OUTCOMES:
1. Understanding the characteristics of the crystalline state, the importance of the crystal structure for mechanical, physical and other properties of materials, and the application of knowledge to understand the structure and behavior of many materials.
2. Understanding the principles of X-ray radiation, diffraction and the way the diffractometer works.
3. Acquisition of skills needed to work with a diffractometer, conducting an experiment and analyzing the data obtained by measurement
4. Ability to identify crystalline phases in the powder sample, perform quantitative analysis, characterize the solid solution and characterize the microstructure.
5. Ability to think critically and the ability to recognize and solve problems in the field of X-ray diffraction and structural characterization.
6. Ability to apply knowledge of mathematics as well as of the structure and properties of materials.
7. Ability to work in a multidisciplinary team and communication skills
LEARNING OUTCOMES AT PROGRAM LEVEL
1. Knowledge and understanding of scientific principles important for chemistry and engineering of materials.
2. Knowledge and understanding of the four basic elements of material chemistry and engineering: structure, properties, production and use of materials.
3. Ability to select and apply appropriate methods and equipment of analysis related to the production and use of materials and critical analysis of results.
4. Knowledge of computer work, basics of programming, use of databases and programs for analysis and modeling.
5. Ability to apply the acquired knowledge in the production process and quality control-
6. Ability to identify, define and solve problems in the field of chemistry and materials engineering
7. Recognition of the need for further training
LITERATURE
S. Kurajica, X-ray powder diffraction, HDKI & FKIT, 2020.
B. E. Warren, X-Ray Diffraction, Dover Publications, New York, 1990.
X-Ray Diffraction: A Practical Approach, C. Suryanarayana and M. Grant-Norton, Plenum Press, London, 1998.
C. Whiston, X-Ray Methods, John Willey and Sons, Chichester, 1987.
B. D. Cullity, S. R. Stock, Elements of X-Ray Diffraction, Addison-Wesley, 2001
M. Kakudo and N. Kasai, X-Ray Diffraction by Polymers, Kadansha, Tokyo, 1972.
Handbook of X-Rays, Ed. E. F. Kaeble, McGraw-Hill, New York, 1967, New York, 1967.
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- Understanding the characteristics of the crystalline state, the importance of the crystal structure for mechanical, physical and other properties of materials, and the application of knowledge to understand the structure and behavior of many materials.
- Understanding the principles of X-ray radiation, diffraction and the way the diffractometer works.
- Acquisition of skills needed to work with a diffractometer, conducting an experiment and analyzing the data obtained by measurement
- Ability to identify crystalline phases in the powder sample, perform quantitative analysis, characterize the solid solution and characterize the microstructure.
- 5.
Ability to think critically and the ability to recognize and solve problems in the field of X-ray diffraction and structural characterization.
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