Module also offered within study programmes:
General information:
Name:
Computational Theory of Diffraction
Course of study:
2019/2020
Code:
ZSDA-3-0121-s
Faculty of:
Szkoła Doktorska AGH
Study level:
Third-cycle studies
Specialty:
-
Field of study:
Szkoła Doktorska AGH
Semester:
0
Profile of education:
Academic (A)
Lecture language:
English
Form and type of study:
Full-time studies
Course homepage:
 
Responsible teacher:
Mitura Zbigniew (mitura@metal.agh.edu.pl)
Dyscypliny:
Moduł multidyscyplinarny
Module summary

Theory of diffraction is presented in the context of running computer simulations to plan experiments and analyze their results. The module can be useful for students working with diffraction methods who want to understand such methods in detail. Computational examples are given for light, x-ray and electron waves. Students should prepare own simple computer codes and/ or run existing software. The module should be interesting for materials engineers, physicists and chemists.

Description of learning outcomes for module
MLO code Student after module completion has the knowledge/ knows how to/is able to Connections with FLO Method of learning outcomes verification (form of completion)
Social competence: is able to
M_K001 Student can actively read scientific publications on modelling of diffraction SDA3A_K01, SDA3A_K03 Activity during classes
Skills: he can
M_U001 Student potentially can analyze experimental results using numerical methods of diffraction SDA3A_U06, SDA3A_U03, SDA3A_U02, SDA3A_U01 Execution of a project
M_U002 Student can execute computer simulations before conducting any actual experiments SDA3A_U07, SDA3A_U06, SDA3A_U04 Execution of a project
Knowledge: he knows and understands
M_W001 Student has general knowledge on theory being the basis for development of computer software for simulations of diffraction phenomena SDA3A_W03, SDA3A_W02 Project
Number of hours for each form of classes:
Sum (hours)
Lecture
Audit. classes
Lab. classes
Project classes
Conv. seminar
Seminar classes
Pract. classes
Zaj. terenowe
Zaj. warsztatowe
Prace kontr. przejść.
Lektorat
30 15 0 0 15 0 0 0 0 0 0 0
FLO matrix in relation to forms of classes
MLO code Student after module completion has the knowledge/ knows how to/is able to Form of classes
Lecture
Audit. classes
Lab. classes
Project classes
Conv. seminar
Seminar classes
Pract. classes
Zaj. terenowe
Zaj. warsztatowe
Prace kontr. przejść.
Lektorat
Social competence
M_K001 Student can actively read scientific publications on modelling of diffraction - - - + - - - - - - -
Skills
M_U001 Student potentially can analyze experimental results using numerical methods of diffraction - - - + - - - - - - -
M_U002 Student can execute computer simulations before conducting any actual experiments - - - + - - - - - - -
Knowledge
M_W001 Student has general knowledge on theory being the basis for development of computer software for simulations of diffraction phenomena + - - + - - - - - - -
Student workload (ECTS credits balance)
Student activity form Student workload
Summary student workload 80 h
Module ECTS credits 3 ECTS
Udział w zajęciach dydaktycznych/praktyka 30 h
Preparation for classes 15 h
przygotowanie projektu, prezentacji, pracy pisemnej, sprawozdania 30 h
Contact hours 5 h
Module content
Lectures (15h):

1. Basic features of wave phenomena (discussed for light, x-rays and electrons)
2. Maxwell’s equation and the scalar wave equation
3. Fresnel and Fraunhofer approximations for diffraction of light waves
4. Analysis of x-ray diffraction for small crystals
5 Simulations of x-rays spectra for multilayers
6. Description of electron diffraction with the use the Schrödinger equation
7. Simulations of transmission electron microscopy images

Project classes (15h):
-
Additional information
Teaching methods and techniques:
  • Lectures: oral presentation, multimedia presentation
  • Project classes: oral presentation, multimedia presentation
Warunki i sposób zaliczenia poszczególnych form zajęć, w tym zasady zaliczeń poprawkowych, a także warunki dopuszczenia do egzaminu:

Lectures:
Student’s presence is obligatory during lectures.

Project classes:
It is expected that a student will complete three small projects strictly related to the material presented during the lectures. The basic part of each project should be the preparation a short computer code by himself or the proper use of scientifically recognized codes available in the literature or the Internet.

Participation rules in classes:
  • Lectures:
    – Attendance is mandatory: Yes
    – Participation rules in classes: Students take part in lectures and get knowledge according to Syllabus. Discussion of problems is recommended during lecture classes. Audiovisual registration requires permission.
  • Project classes:
    – Attendance is mandatory: Yes
    – Participation rules in classes: Students take part in classes and prepare projects according to materials advised by a teacher.
Method of calculating the final grade:

The scores from three projected completed within project classes will be summed up and then rounded to the nearest grade allowable.

Sposób i tryb wyrównywania zaległości powstałych wskutek nieobecności studenta na zajęciach:

a single absence is allowable without consequences,
multiple absences: self-solution of specified problems is required

Prerequisites and additional requirements:

It is assumed that a student has basic knowledge on preparation of own computer codes (in any programming language).

Recommended literature and teaching resources:

Birkholz M. – Thin Film Analysis by X-Ray Scattering – Wiley-VCH, Weinheim, 2006.

Kirkland E.J. – Advanced Computing in Electron Microscopy. Second Edition -Springer, New York, 2006.

Lauterborn W., Kurz T. and Wiesenfeldt M.- Coherent Optics. Fudamentals and Applications – Springer, Berlin, 1993.

Peng L.-M., Dudarev S.L. and Whelan M.J. – High-Energy Electron Diffraction and Microscopy – Oxford University Press, Oxford, 2004.

Scientific publications of module course instructors related to the topic of the module:

G. Gładyszewski, Z. Mitura and M. Subotowicz, 1990, Ion beam mixing in Au-Cu compositionally modulated alloys, Materials Letters, 9, 325-327.

Z. Mitura, 2015, Theoretical analysis of reflection high-energy electron diffraction (RHEED) and reflection high-energy positron diffraction (RHEPD) intensity oscillations expected for the perfect layer-by-layer growth, Acta Crystallographica Section A (Foundations and Advances), 71, 513-518.

Z. Mitura and P. Mikołajczak, 1988, Computer simulation of X-ray spectra of metallic superlattices, Journal of Physics F: Metal Physics, 18, 183-195.

P.Mazurek, K.Paprocki and Z.Mitura, 2006, Investigation of Si-Au vicinal surfaces using scanning tunnelling microscopy and reflection high-energy electron diffraction, Journal of Microscopy, 224, 125–127.

Additional information:

None