General information:
Code:
UBPJO-177
Name:
Advanced materials modelling
Profile of education:
Academic (A)
Lecture language:
English
Semester:
Spring, Fall
Responsible teacher:
dr hab. inż. Filipek Robert (rof@agh.edu.pl)
Academic teachers:
dr hab. inż. Filipek Robert (rof@agh.edu.pl)
Szyszkiewicz-Warzecha Krzysztof (szyszkin@agh.edu.pl)
Module summary

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)
Skills
M_U001 Solution of selected mass, heat and momentum transport in 1D, 2D and 3D geometry using Comsol Multiphysics. - Execution of a project,
Execution of exercises
M_U002 Solution of selected mass, heat and momentum transport problems in 1D geometry using VBA or C/C++. - Execution of exercises
Knowledge
M_W001 Fundamental knowledge on phenomenological modelling and numerical methods. - Examination
M_W002 The inverse problems - formulation. Methods of solution. - Examination
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
Others
E-learning
Skills
M_U001 Solution of selected mass, heat and momentum transport in 1D, 2D and 3D geometry using Comsol Multiphysics. - - - - - + - - - - -
M_U002 Solution of selected mass, heat and momentum transport problems in 1D geometry using VBA or C/C++. - - - - - + - - - - -
Knowledge
M_W001 Fundamental knowledge on phenomenological modelling and numerical methods. + - - - - - - - - - -
M_W002 The inverse problems - formulation. Methods of solution. + - - - - - - - - - -
Module content
Lectures:

1) Selected ordinary and partial differential equations used in design and technology of materials.
2) Mass, energy and momentum balance equations. Constitutive equations. Initial and boundary conditions.
3) Steady-state and non-steady-state (evolutional) problems.
4) Specialized software for solving of mass, energy and momentum transport.
5) Numerical methods of solving of boundary and initial-boundary-value problems in materials science (finite difference method, method of lines, finite element methods, finite volume method).
6) Inverse problems and optimization tasks in materials science and methods of theirs solving.
7) Specialized software for solving inverse problems and optimization.
8) Methods and tools of parallel programming. Use of multiprocessor computers, clusters and advanced computer techniques for solving problems in materials science.

Seminar classes:
  1. Solutions of selected problems in materials science using specialized software: Comsol Multiphysics, C/C++, VBA Excel in 1D, 2D i 3D geometries: gradient materials, ion-selective membranes, carbonation of steel, corrosion of rebars in concrete, ionic channels transport, optimization of furnace lining geometry bezed on thermocouple readings, diffusion soldering of electronic materials.

  2. Solutions of selected problems in materials science using specialized software: Comsol Multiphysics, Matlab, C/C++, VBA Excel in 1D, 2D i 3D geometries: gradient materials, ion-selective membranes, carbonation of steel, corrosion of rebars in concrete, ionic channels, optimization of furnace lining geometry bezed on thermocouple readings, diffusion soldering of electronic materials.

Student workload (ECTS credits balance)
Student activity form Student workload
Summary student workload 117 h
Module ECTS credits 4 ECTS
Participation in lectures 10 h
Participation in seminar classes 20 h
Completion of a project 20 h
Realization of independently performed tasks 30 h
Preparation for classes 25 h
Examination or Final test 2 h
Participation in lectures 10 h
Additional information
Method of calculating the final grade:

0.5*exam_note+0.5*seminar_note

Prerequisites and additional requirements:

Basic skills in C/C++, VBA programing.

Recommended literature and teaching resources:

1. M. Rappaz, M. Bellet, M. Deville, R. Snyder, Numerical Modelling in Materials Science and Engineering, Springer 2003.
2. H.P. Langtangen, Computational Partial Differential Equations, Springer; 2nd Ed. 2003.
3. A. Quarterioni, Numerical Models for Differential Problems, Springer 2009.
4. M.E. Glicksman, Diffusion in Solids, JohnWiley & Sons 2000.
5. D. Britz, Digital Simulation in Electrochemistry, Springer, 3rd Ed. 2005.
6. R.W. Balluffi, S.A. Allen, W.C. Carter, Kinetics of Materials, JohnWiley & Sons 2005.

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

1. R. Filipek, “Interdiffusion in Multi-Component Systems Showing Variable Intrinsic Diffusivities”, Solid State Phenomena, 72, (2000), 165-170.
2. B. Bożek, R. Filipek, K. Holly, C.Mączka, “Distribution of Temperature in Three-Dimmensional Solids”, Opuscula Mathematica, 20, (2000) 27-40.
3. J. Nowacki, M. Danielewski, R. Filipek, “Brazed joints evaluation and computer modelling of mass transport in multi-component systems in the AuNi solder-14-5 PH joints”, J. Mat. Proc. Techn., 157-158, (2004), 213-220.
4. J. J. Jasielec, R. Filipek, K. Szyszkiewicz, J. Fausek, M. Danielewski, A. Lewenstam, „Computer simulations of electrodiffusion problems based on Nernst-Planck and Poisson equations”, Computational Materials Science, 63, (2012),75–90.
5. A. Wierzbicka-Miernik, K. Miernik, J. Wojewoda-Budka, K. Szyszkiewicz, R. Filipek, L. Litynska-Dobrzyńska, A. Kodentsov, P. Zięba, „Growth kinetics of the intermetallic phase in diffusion-soldered Cu-5 at.%Ni/Sn/Cu-5 at.%Ni interconnections, Materials Chemistry and Physics, 142 (2–3), (2013), 682–685.

Additional information:

None