· wh . cp : 1. sem. v Ü . 2. sem. v Ü : 3. sem. v Ü . 4. sem. v Ü : basic modules 1...

1

MASTER COURSE “MATERIALS SCIENCE AND SIMULATION”

MODULE DESCRIPTIONS

September 2015

2 Module Descriptions

COURSE SCHEDULE Code Module name Semester WH CP 1. Sem.

V Ü 2. Sem. V Ü

3. Sem. V Ü

4. Sem. V Ü

Basic modules 1 Programming Concepts in Mat. Sci. 4 6 2 2 2 Basics in Materials Science 10 15 7 3

2a Elements of Microstructure 2 3 2 2b Basics of Theoretical Physics or

Basics of Materials Science 8 12 5 3

Compulsory modules 3 Theoretical and Applied Materials Science 6 8 4 2

3a Quantum Mechanics in Mat. Sci. 3 4 2 1 3b Microstructure and Mech. Properties 3 4 2 1

4 Advanced Characterization Methods 4 6 3 1 4a Advanced Characterization Methods

5 Advanced Numerical Methods 6 8 4 2 5a Continuum Methods in Mat. Sci. 3 4 2 1 5b Atomistic Simulation Methods 3 4 2 1

Profile modules 6 Profile module (Modelling & Simulation) 4 6 2 2 7 Profile module (Processing &Character’n) 4 6 3 1 8 Profile module (free choice) 4 6 2 2 9 Profile module (free choice) 4 6 3 1 Optional modules 10 General optional subject 4 6 3 1 11 Optional scientific or engineering subject 3 4 2 1 12 Non-technical/non-scientific optional module 7

12a Key qualification 3 x 12b Key qualification 4 x

Scientific Theses 13 Project work (180 h) 6 x 14 Master thesis (900 h) 30 x Sum Weekly Hours 84 21 22 21 20 Sum Workload 3600 900 900 900 900 Sum Credit Points 120 30 30 30 30

Note: The title of lectures (submodules) referring to one module are typed in italic. The according weekly hours (WH) and credit points (CP) are summed in the title line of the module.


EXPLANATIONS

Basic Modules 1 Compulsory module in numerical methods 2 Partly individual module

2a Compulsory module for all students 2b Submodule to be chosen according to student’s background for Bachelors of Science:

• Assessment and Description of Materials Properties (2b-N1) • Materials Processing (2b-N2) • If students wish their Master’s degree to be recognized by the

faculty of Physics, e.g. to continue their studies by acquiring a doctoral degree in Physics, they can choose from those modules that are in accordance with the doctoral regulations of the faculty and under the condition that they fulfil the respective require-ments as fixed at the beginning of their studies together with their adviser of studies.

for Bachelors of engineering:

• Introduction to Quantum Mechanics in Solid State Physics (2b-E1)

• Statistical Physics and Thermodynamics (2b-E2)

Compulsory Modules 3 - 5 The compulsory modules comprise the scientific focus of the programme

and are therefore mandatory for every student. Profile Modules in Materials Science 6 Profile module 6 (MS) has to be chosen from:

• Interfaces and Surfaces (6-MS1) • Application and implementation of electronic structure methods (6-

MS2) • The CALPHAD Method (6-MS3) • Continuum Mechanics (6-MS4)

7 Profile module 7 (PC) has to be chosen from:

• Advanced Materials Processing (7-PC1) • Theoretical Analysis of Engineering Materials Challenges (7-PC2) • Nanotechnology and Integrity of Small Scale Systems (7-PC3) • Polymers and Shape Memory Alloys (7-PC4)

8 - 9 Profile modules 8and 9can be chosen freely from:

• MultiscaleModelling in Materials Science (8-MS1) • Advanced Atomistic Simulation Methods (8-MS2) • Numerical Simulation of Fracture of Materials (8-MS3) • Lattice Boltzmann Modelling: From Simple Flows to Interface Dri-

ven Phenomena (8-MS4) • Modelling of Metal Plasticity in Finite Element Analysis (8-MS5) • Mechanical of Materials (8-MS6) • Solidification Processing (9-PC1) • Modern Coating Technologies (9-PC2)


• Surface Science and Corrosion (9-PC3) • Materials for Aerospace Applications (9-PC4)

Optional Modules 10, 11 Anymodulefrom a science or engineering Master’s programme will be

recognized. Non-technical/Non-scientific optional Module 12 These modules should be chosen from the key qualificationsoffers like

Documenting and Communicating Science, German language for foreign-ers, Presentation techniques, Project and Quality Management, Business Skills, Intercultural Competence etc.

Scientific Theses 13, 14 The project work and the Master thesis represent practical self-guided re-

search and make up 30% of all credit points.


EXAMINATIONS, CREDITS AND GRADES Each module is assessed by one final examination, which defines the grade for this module and is the prerequisite for credit point allocation (except module 2, which con-sists of 2 examination elements).

Credit points are allocated in accordance with the students‘ work load comprising classes and preparation time for classes and assignments. The work load makes up the double or triple amount of the instructional contact time, depending on the degree of difficulty of the class. Together with the results of written and oral examinations as well as of prac-tical exercises (if applicable) they form the basis for the final module grade. Since the Master’s course puts an emphasis on practical research in the project report and the Master‘s thesis the results of these two assignments count for 30% of the total grade. The total grade is derived according to the average of all allocated module credits.

CREDIT ALLOCATION

Semester 1 2 3 4 ∑

Compulsory modules: 1,2a,3, 4,5 9 14 8 31

Optional modules: 2b, 6,7,8,9, 10, 11 18 12 16 46

Key qualifications: module12 3 4 7

Project work: module13 6 6

Master’sthesis: module14 30 30

∑ 30 30 30 30 120

Credits are allocated according the the following scheme:

• Compulsory 31 CP = 26% • Optional 46 CP = 38% • Key qualifications 7 CP = 6% • Project report and Master’s thesis 36 CP = 30%


MODULE SCHEME AND CREDITS

Course scheme: the size of the fields represents the allocated credit points.

Materials Science and Simulation

7 Module List

MODULE LIST

PROGRAMMING CONCEPTS IN MATERIALS SCIENCE

Module code 1

Student work-load

180 hours

Credits 6

Semester 1st

Frequency each winter-term

Duration 1 semester

1 Types of courses a) lecture b) class

Contact hours a) 30 hrs (2 SWS) b) 30 hrs (2 SWS)

Independent study 120 hours

Class size a) 30 students b) 10 students

5 Prerequisites for participation none

2 Learning Outcomes The students will gain an overview of modern programming methods used for simulations in materials science. They can write simple codes or data analysis tools on their own.

3 Subject aims • Introduction to operating systems (Linux and Unix) • Introduction to modern programming languages (Python, Fortran) • Introduction to relevant mathematical and graphical software • Examples that will gain an overview of modern programming approaches and tools will

comprise: o data interpolation and fitting o linear algebra o numerical integration o theory and numerical solution of ordinary and partial differential equations o fundamental solutions of boundary value problems

4 Teaching methods

lecture, numerical exercises (homework) 6 Assessment methods

final exam consisting of numerical exercises (50%) and written examination (50%) 8 This module is used in the following degree programmes as well

none 10 Responsibility for module

Prof. Ralf Drautz, Prof. Alexander Hartmaier 11 Other information

Lecture notes will be provided. The book “a primer on scientific programming with python” by Hans PetterLangentangen will be covered.


8 Module List

BASICS IN MATERIALS SCIENCE: ELEMENTS OF MICROSTRUCTURE

Module code 2a

Student work-load

90 hours

Credits 3

Semester 1st


Duration 1 semester

1 Types of courses lecture

Contact hours 30 hours (2 SWS)


Class size 30 students

5 Prerequisites for participation None

2 Learning outcomes Students will have a first qualitative and comprehensive view on material microstructures including the specific features of amorphous and crystalline solids and, most importantly, 0- to 3-dimensional crystal defects and their basic properties.They also learn about basic characterization techniques (microscopy and diffraction).

3 Subject aims • Introduction to crystalline and amorphous solids, nano-micro-macro structures • Basics of diffraction and materials microscopy • Point defects (vacancies and foreign atoms) • Dislocations and dislocation substructures • Interfaces • 3-D elements of microstructure: precipitates, inclusions, voids, fibres

4 Teaching methods lecture, group work

6 Assessment methods written examination for submodule 2a (1,5 hours)

8 This module is used in the following degree programmes as well none

10 Responsibility for module Prof. Gunther Eggeler

11 Other information A list with recommended literature and class notes are available online.


9 Module List

BASICS IN MATERIALS SCIENCE: INTRODUCTION TO QUANTUM MECHANICS IN SOLID-STATE PHYSICS

Module code 2b-E1

Student work-load

240 hours

Credits 8

Semester 1st


Duration 1 semester





5 Prerequisites for participation Bachelor in Mechanical Engineering, Materials Science or related disciplines

2 Learning outcomes Students will develop a basic understanding of Quantum-Mechanics and learnhow to transfer it to applictions in chemistry, materials science and solid-state physics. They will be able to independently solve problems of systems in which descriptions of both particles as well as waves are relevant and they will understand the relation between the electronic structure and the properties of materials.

3 Subject aims • Fundamental quantum mechanics (history and Heisenberg relation) • Schroedinger equation and interpretation of wave functions • Stationary solutions (quantum wells, tunneling and the hydrogen atom) • The structure of atoms, the periodic system and bond formation • Electrons in a periodic potential • Crystallography in solid-state physics • Types of solids and bonding (ionic, metallic, covalent) • Defects in solids (point, line and planar defects)

4 Teaching methods lecture, class, group work, seminar paper

6 Assessment methods written examination (2 hours)


10 Responsibility for module Prof. Ralf Drautz, Prof. Jörg Neugebauer

11 Other information Lecture notes will be provided


10 Module List

BASICS IN MATERIALS SCIENCE: STATISTICAL PHYSICS AND THERMODYNAMICS

Module code 2b-E2

Student work-load

120 hours

Credits 4

Semester 1st


Duration 1 semester





5 Prerequisites for participation Bachelor in Mechanical Engineering, Materials Science or related disciplines

2 Learning outcomes Students will gain knowledge about the fundamental concepts of equilibrium thermodynamics and statistical mechanicsand understand the basic concepts of both approaches, as detailed below. This enables the students with an engineering background to understand the basic physical concepts and develop the necessary skills to transfer and apply these concepts to materials modelling and solid state physics.

3 Subject aims • Introduction to key concepts of probability theory: probability distributions, expectation

values, central limit theorem • Physical concepts in classical mechanics required for the understanding of statistical me-

chanics • Basic concepts in classical thermodynamics: state variables, thermodynamic functionals,

entropy, extremal principles, Legendre transformations, Maxwell relations, phase equilib-ria, Clausius-Clapeyron equation, ideal gas, reversibility and irreversibility, adiabatic proc-esses

• Linking classical mechanics to statistical mechanics: microcanonical, canonical and grand canonical ensemble, equipartition theorem, Maxwell distribution

• Basic aspects of quantum statistics 4 Teaching methods

lecture, class, group work 6 Assessment methods

written examination (2 hours) 8 This module is used in the following degree programmes as well

iMOS (Molecular Science and Simulation) 10 Responsibility for module

Prof. Ingo Steinbach, PD Dr. Fathollah Varnik 11 Other information:

Literature: F. Schwabl: Statistical Mechanics


11 Module List

BASICS IN MATERIALS SCIENCE: ASSESSMENT AND DESCRIPTION OF MATERIAL PROPERTIES

Module code 2b-N1

Student work-load

240 hours

Credits 8

Semester 1st


Duration 1 semester





5 Prerequisites for participation Bachelor in Physics, Chemistry or related disciplines

2 Learning outcomes Students will get to know the basic mechanical and functional properties of materials, the quantities by which these properties are described and how to assess thesequantities. They also understand the metallurgical and physical origin of materialsproperties and will be able to apply the related materi-als descriptions to engineering problems. The students comprehend the relation between micro-structure and properties and know typical ranges of mechanical and functional (e.g. conductivity, coercitivity, remanence) properties of the main classes of materials (metals, ceramics, glasses, poly-mers).

3 Subject aims • Introduction to concepts of mechanical properties of materials (stress-strain curves, stiff-

ness, strength, ductility) • origin of plastic deformation and fracture • relation between microstructure and mechanical properties • strengthening concepts for engineering materials • assessment methods for mechanical properties (mechanical testing) • Introduction to concepts of functional (electrical, magnetic, optical) properties of materials • physical origin of functional properties, key quantities and their relations • methods to measure the different functional properties


6 Assessment methods written examination together with submodule 2b-N2 (4 hours for entire sub-module 2bN)


10 Responsibility for module Dr. Rebecca Janisch, Prof. Alfred Ludwig

11 Other information lecture notes will be provided online Literature: Mercier, Jean P., Zambelli, Gérald, Kurz, Wilfried “Introduction to materials science” Elsevier, Paris, 2002 G.E. Dieter “Mechanical metallurgy” McGrawHill, London, 2004


12 Module List

BASICS IN MATERIALS SCIENCE: MATERIALS PROCESSING

Module code 2b -N2

Student work-load

120 hours

Credits 4

Semester 1st


Duration 1 semester

1 Types of courses a) lecture b) lab



Class size a) 20 students b) 10-15 students

5 Prerequisites for participation Bachelor in Physics, Chemistry or related disciplines

2 Learning outcomes Students will gain knowledge of the basic principles and technology of materials processing includ-ing production and refining of metals from ores, alloying, melting, casting, forming, joining, heat treatment, and surface modification. This knowledge will enable them to understand how process-ing affects the microstructure and properties of technologically important metals. Thus they will develop the competence to select materials and processing routes that take into account technologi-cal and economic requirements.

3 Subject aims • Introduction to key engineering ferrous and non-ferrous metallic materials • Impart knowledge of important engineering manufacturing processes • Impart knowledge of important heat-treatment and surface-treatment processes • Primary processes: melting, casting, sintering • Metal forming: forging, rolling, bending, deep drawing • Joining: welding, brazing, soldering • Heat treatment: annealing, hardening, tempering, precipitation hardening • Surface treatment: case hardening, nitriding, carburizing, coating

4 Teaching methods lecture, lab

6 Assessment methods written examination together with submodule 2b-N1 (4 hours for entire sub-module 2bN)

8 This module is used in the following degree programmes as well None

10 Responsibility for module Prof. Easo George



13 Module List

THEORETICAL AND APPLIED MATERIALS SCIENCE: QUANTUM MECHANICS IN MATERIALS SCIENCE

Module code 3a

Student work-load

120 hours

Credits 4

Semester 2nd

Frequency each summer-term

Duration 1 semester




Class size a) 30 students b) 10 – 15 students

5 Prerequisites for participation Successful completion of “Introduction to Quantum Mechanics in Solid State Physics” or equivalent.

2 Learning outcomes The course will provide the students with an overview of the fundamentals and the application of Quantum Mechanics in Materials Science. After the course the students will be able to read and understand textbooks and the research literature in the field. They will understand the principles of electronic structure calculations in Materials Science and also have some insight in the numerical implementation of electronic structure methods. The students will also learn how to relate electronic structure properties to the crystal structure and other properties of materials.

3 Subject aims • The Schrödinger equation • Many electron problem • Hartree/Hartree-Fock • Density-Functional Theory • Overview of basis sets, plane waves vs local orbitals, pseudopotentials • Band structure, symmetry groups, density of states • Magnetism • Tight-binding approximation • Beyond DFT • Applications for molecules and solids, including semiconductors and metals

4 Teaching methods lecture, class

6 Assessment methods written examination together with submodule 3b (3 hours for entire Module 3)


10 Responsibility for module Prof. Ralf Drautz



14 Module List

THEORETICAL AND APPLIED MATERIALS SCIENCE: MICROSTRUCTURE AND MECHANICAL PROPERTIES

module code 3b

student work-load

120 hours

credits 4

semester 2nd

frequency each summer-term

duration 1 semester





5 Prerequisites for participation Successful completion of “Elements of microstructure” (2a) and “Introduction to statistical physics and thermodynamics” (2b-E2) or equivalent.

2 Learning outcomes Students will learn the principles of microstructure evolution during materials processing, its de-pendence on the material composition and transport processes. They will understand the correla-tion between microstructure and mechanical properties of materials by learning the microstructural mechanisms of deformation and failure. They develop the skills to apply this knowledge to materials science problems.

3 Subject aims • Thermodynamic background of phase transformations • Morphology evolution during solidification: dendritic, eutectic, peritectic microstructures • Kinetics of diffusion controlled phase transformations • Ripening, and recrystallization • Precipitation, interaction of precipitates and grain boundaries • Microstructural mechanisms and microscopic descriptions of mechanical properties of ma-

terials • Length scales in materials (phases, grain boundaries, defect densities) • Hardening mechanisms (grain boundary, dislocation, solid solution and precipitation

hardening) • Fracture mechanics and fracture mechanisms of materials • Creep of materials and its microstructural origin • Micromechanical testing and micromechanical Modelling of material properties


6 Assessment methods written examination together with submodule 3a (3 hours for entire Module 3)

8 This module is used in the following degree programmes as well None

10 Responsibility for module Prof. Alexander Hartmaier

11 Other information lecture notes are provided online Literature: Thomas H. Courtney “Mechanical Behavior of Materials” (2nd edition) McGraw-Hill International Editions, Boston/USA, 2000 G. Gottstein “Physical Foundations of Materials Science” Springer-Verlag, Berlin/Heidelberg, 2004


15 Module List

ADVANCED CHARACTERIZATION METHODS

Module code 4a

Student work-load

180 hours

Credits 6

Semester 2nd


Duration 1 semester


Contact hours a) 3 SWS b) 1 SWS



5 Prerequisites for participation Successful completion of “Elements of Microstructure” (2a) or equivalent

2 Learning outcomes Students will have a clear view on the structure of solids and on the interaction of particle waves with materials. They will be able to understand and use imaging and diffraction methods in the scanning (orientation imaging) and in the transmission electron microscope (dislocation Burgers vector analysis). Most importantly, they will be able to use in-situ methods (cooling/heating, strain-ing and indentation) in the scanning and transmission electron microscope.

3 Subject aims • Introduction to crystalline and amorphous solids • Scattering and diffraction of particle waves (X-rays, synchrotron radiation, neutrons and

electrons) • Advanced scanning electron microscopy (introduction, environmental scanning electron

microscopy, orientation imaging, chemical analysis, in-situ methods) • Advanced transmission electron microscopy (introduction, electron diffraction patterns and

Kikuchi lines, diffraction contrast, chemical analysis, in-situ methods) • Outlook towards other advanced characterization methods (atom probe and high resolution

transmission electron microscopy) 4 Teaching methods

lecture, class, lab 6 Assessment methods


Masters Mechanical Engineering: Werkstoff-Engineering and Micro-Engineering 10 Responsibility for module

Prof. Gunther Eggeler, Dr. Christoph Somsen 11 Other information:

A list with recommended literature and class notes is available online.


16 Module List

ADVANCED NUMERICAL METHODS: CONTINUUM METHODS IN MATERIALS SCIENCE

Module code 5a

Student work-load

120 hours

Credits 4

Semester 3rd


Duration 1 semester

1 Types of courses a) lecture b) numerical exercises




5 Prerequisites for participation Successful completion of modules “Assessment and Description of Material Properties” (2b-N1) and “Statistical Physics and Thermodynamics” (2b-E2) or equivalent.

2 Learning outcomes Students will understand the underlying principles of the finite element method to solve problems in solid mechanics with sound descriptions of the mechanical properties of materials.With the phase field method they will be able to solve free boundary problems coupled to a thermodynamic material description.With the help of these two widly used numerical methods in industrial and academic materials sciencethe students develop the skills to model and solve materials science prob-lems and they also understand the limitations of these methods.

3 Subject aims • Introduction into Partial Differential Equation and Boundary Value Problems (BVP) • Introduction to the Finite Element Method in solid mechanics as method to solve BVP • Basic concepts of linear and non-linear material including plasticity • of damage and failure • of creep behaviour • Introduction to free boundary problems • Thermodynamic concept of the Phase-Field method • Microstructure evolution in materials as a free boundary problem • Linking of microstructure and mechanical properties

4 Teaching methods lecture, numerical exercises, group work

6 Assessment methods written examination together with submodule 5b (3 hours for entire Module 5)


10 Responsibility for module Prof. Ingo Steinbach

11 Other information lecture notes are provided online Literature: Shaofan, L; Wang, G. ”Introduction to Micromechanics and Nanomechanics” World Scientific Publ., London, 2008 Rappaz M; Bellet M; Deville M. “Numerical Modeling in Materials Science and Engineering” Springer, 2000


17 Module List

ADVANCED NUMERICAL METHODS: ATOMISTIC SIMULATION METHODS

Module code 5b

Student work-load

120 hours

Credits 4

Semester 3rd


Duration 1 semester





5 Prerequisites for participation Successfulcompletion of “Theoretical and Applied Materials Science” (Module 3)

2 Learning outcomes Students will be acquainted with models for the inter-atomic interaction and understand how these interactions can be represented by potentials. They learn how to use methods such as molecular dynamics and kinetic Monte Carlo simulations to calculate the evolution of the atomic structure of materials and the resulting material properties. They understand the importance of the time and length scales in atomic modelling. The successful participants will be able to apply atomistic simula-tion methods to solve problems in materials science.

3 Subject aims • Empirical potentials for ionic, covalent and metallic materials • Statistics (ensembles, entropy) • Dynamics of statistical ensembles (Markov, Fokker-Planck, Langevin) • Observables (MSD, RDF, specific heat and free energy) • Molecular dynamics (incl. thermostats) • Analysis of large-scale atomistic simulations (dislocations) • Monte Carlo (kinetic, Metropolis) • Transition-state theory • Lattice-gas-Hamiltonian (Ising-model, cluster expansion) • Magnetism (Heisenberg-model) • Linking atomistic simulations to the electronic, microstructural and macroscopic hierar-

chies • Application to lattice dynamics and lattice defects

4 Teaching methods lecture, discussions, class

6 Assessment methods written examination together with submodule 5a (3 hours for entire Module 5)


10 Responsibility for module Prof. Ralf Drautz



18 Module List

INTERFACES AND SURFACES

Module code 6-MS1

Student work-load

180 hours

Credits 6

Semester 2nd


Duration 1 semester





5 Prerequisites for participation Successful completion of “Elements of Microstructure” (2a) ,“Introduction to Quantum Mechanics in Solid State Physics” (2b-E1) and “Assessment and Description of Material Properties” (2b-N1) or equiva-lent.

2 Learning outcomes Students will understand the relevance of surfaces and interfaces in materials science and gain basic knowledge of experimental and computational techniques to characterize them. They understand the relationship between atomistic descriptions of interfaces/surfaces and macroscopic materials properties, especially thermodynamic and mechanical properties. They will develop the skills to read and understand the relevant literature, to choose the most suited experimental or modelling approaches for specific tasks,and to applythem to material science problems.

3 Subject aims • Introduction to surfaces and interfaces for optical, electronic, magnetic and mechanical proper-

ties and their importance for materials design including metals, semiconductor, oxides • Principles of interface/surface crystallography and indexing geometries in atomistic models. In-

troducing classification and nomenclature of surfaces and grain boundaries • Mechanisms and importance of surface relaxation / reconstruction and optimization of solid-

solid interface degrees of freedom • Empirical and thermodynamic models of interface/surface properties, for pure inter-

faces/surfaces as well as for interactions with adsorbates, vacancies, impurities, and dislocations • Experimental characterization of interface/surface structures (diffraction, scanning, microscopy,

spectroscopy methods ), planning specific experiments and relate experimental and theoretical results

• Methods of computational determination of atomistic interface/surface structures and properties. Possibilities and limitations of atomistic models

4 Teaching methods lecture, numerical exercises, homework

6 Assessment methods oral exam (30 minutes)


10 Responsibility for module Prof. Ralf Drautz, Dr. Rebecca Janisch

11 Other information Lecture notes will be provided Literature: J.M. Howe, Interfaces in materials, Wiley Interscience 1997 A. Gross, Theoretical Surface Science: A Microscopic Perspective, Springer 2009


19 Module List

APPLICATION AND IMPLEMENTATION OF ELECTRONIC STRUCTURE METHODS

Module code 6-MS2

Student work-load

180 hours

Credits 6

Semester 2nd


Duration 1 semester(s)

1 Types of courses a) lecture + group seminar b) practical studies




5 Prerequisites for participation Successful completion of “Introduction to Quantum Mechanics in Solid State Physics” or equivalent.

2 Learning outcomes Students will be enabled to choose the most appropriate electronic structure computational method for a given researchproject, to formulate and describe the foundation of density functional theory (DFT), to describe the most common approximations employed in DFT, and to contribute to the implementation of a DFT code.

3 Subject aims • Numerical implementation and solution of a single particle Schrödinger equation (electron

in a pseudo potential) • Basis sets, representation of operators in a basis • Results and analysis of electronic structure calculations • Numerical convergence • The Plane-Wave Pseudo-Potential Method (self-consistent numerical implementation) • The Tight Binding Method • Bond-order potentials • special topics and applications (structural stability, magnetism)

4 Teaching methods lecture, practical studies and group seminars

6 Assessment methods practical studies (10 to 30 pages, weight 50%), oral examination (30 minutes, weight 50%)


10 Responsibility for module Prof. Ralf Drautz, Prof. Jörg Neugebauer



20 Module List

THE CALPHAD METHOD

Module code 6 -MS3

Student work-load

180 hours

Credits 6

Semester 2nd


Duration 1 semester





5 Prerequisites for participation Successful completion of “Statistical Physics and Thermodynamics” (2b-E2) or equivalent

2 Learning outcomes Students will understand the concept of phase equilibrium and beenabled to model free energy using fundamental theories and its connection to experimental determined thermodynamic proper-ties. They will gain the ability to connect the thermodynamics of materials to different applications, such as phase field simulations, and to transfer this knowledge to problem solution strategies in materials science.

3 Subject aims • Thermodynamic potentials • Modelling of ordered and disordered multicomponent solutions • Calculation of phase diagrams • Construction of Gibbsian Databases after critical evaluation of experimental information • Use of stable and metastable thermodynamic quantities in microstructure simulations

4 Teaching methods Lecture, class individual project and group work, case studies, discussions, presentations of modelling results

6 Assessment methods Evaluation of report (10 to 30 pages) of individual project on thermodynamic modelling


10 Responsibility for module Prof. Dr. Ingo Steinbach, Dr. Suzana G. Fries

11 Other information Literature: Lukas H L; Fries S G; Sundman B. “ Computational Thermodynamics, The Calphad method” Cambridge University press 2007


21 Module List

CONTINUUM MECHANICS

Module code 6-MS4

Student work-load

180 hours

Credits 6

Semester 2nd

Frequency each summer term







2 Learning outcomes Students will gain extended knowledge of continuum mechanics. They furthermore gain practical skills and learn different solution techniques for mechanical problems as a prerequisite forcom-puter-oriented structural analysis.

3 Subject aims Starting with an introduction to the advanced analytical techniques of linear elasticity theory, the coursemoves on to the continuum-mechanical concepts of the nonlinear elasticity and ends with the discussion of material instabilities and microstructures. Numerous examples and applications will be given.

• Advanced Linear Elasticity • Beltrami equation • Navier equation • stress-functions • scalar- and vector potentials • Galerkin-vector • Love-function • solution of Papkovich - Neuber • Nonlinear Deformation • Strain tensor • Polar decomposition • stress-tensors • equilibrium • strain-rates • Nonlinear Elastic Materials • Covariance and isotropy • Hyperelastic materials • constrained materials • Hypoelastic materials • objective rates • material stability • microstructures



8 This module is used in the following degree programmes as well Master Course: Computational Engineering (Import lecture)

10 Responsibility for module Prof. Dr. rer. nat. K.Hackl, Prof. Dr. rer. nat. K.C. Le

11 Other information Literature: Pei Chi Chou, Nicholas J. Pagano, Elasticity, Dover, 1997 T.C. Doyle, J.L. Ericksen, Nonlinear Elasticity Advances in Appl. Mech. IV, Academic Press, New York, 1956 C. Truesdell, W. Noll, The nonlinear field theories Handbuch der Physik (Flügge, Hrsg.), Bd. III/3, Springer-Verlag, Berlin, 1965


22 Module List

J.E. Marsden, T.J.R. Hughes, Mathematical foundation of elasticity, Prentice Hall, 1983 R.W. Ogden, Nonlinear elastic deformation, Wiley & Sons, 1984


23 Module List

ADVANCED MATERIALS PROCESSING

Module code 7-PC1

Student work-load

180 hours

Credits 6

Semester 2nd


Duration 1 semester

1 Types of courses a) lecture b) lab



Class size a) 30 students b) 15students


2 Learning outcomes Students will develop the ability ofa production and aplication specific selection of materials. They will understand the physical background of special processing routes and be enabled to select suit-able processing routes and processing parameters for the production of given machine parts.

3 Subject aims • Special processing routes in production technology for applications in research and indus-

trail production. This includes methods like investment casting with directional solidifica-tion (Liquid Metal Cooling), Hot-Isostatic Pressing, Metal Injection Moulding, Squeeze- &Rheocasting, Electro Discharge & Electrochemical Machining, Low-Pressure Carbonisa-tion, Laser-Surface-Technology, Stir-Welding, Capacitor Discharge Welding and – Sinter-ing, Rapid Prototyping, Selective Laser Sintering, Selective Laser Melting u. a.

In particular the following aspects are dealt with: • Processing principle and physical background • Influence of processing on the microstructure • Properties of materials after processing • Applications

4 Teaching methods lecture,class, lab, group work, discussions, field trip

6 Assessment methods oralexamination (30 minutes)

8 This module is used in the following degree programmes as well Master „Mechanical Engineering: Werkstoff-Engineering

10 Responsibility for module Prof. S. Huth, Prof. W. Theisen, Prof. A. Pyzalla

11 Other information Lecture notes will be provided, lecture language is German.


24 Module List

THEORETICAL ANALYSIS OF ENGINEERING MATERIALS CHALLENGES

Module code 7-PC2

Studentwork-load

180 hours

Credits 6

Semester 2nd


Duration 1 semester





5 Prerequisites for participation Successful completion of “Elements of Microstructure” (2a) and “Statistical Physics and Thermody-namics” (2b-E2) or equivalent

2 Learning outcomes Students will learn to apply elements from the materials science curriculum to tackle engineering problems in advanced materials technology. They obtain awareness for the strong link between elementary atomistic and microstructural processes and the behaviour of materials/components on the macro scale. They will learn how to use the understanding of basic processes to develop new and improve classical materials, to assess the mechanical and functional properties of materials and to understand kinetic processes in solids and at surfaces. They will understand that the microstructure of an engineering material governs most of the properties which engineers exploit.

3 Subject aims • Importance of atoms and electrons in materials engineering and the transition from atoms

to components • Thermodynamic concepts in materials engineering and fundamentals of alloy design • Crystals, crystal defects and microstructures of engineering materials • Morphology of engineering polymers • Electrochemistry: corrosion of metals and alloys • Fundamentals, processing and applications of shape memory alloys • Deformation, fatigue and failure analysis • Strong materials and basics of fracture mechanics • Surface science and surface engineering


6 Assessment methods oral examination (30 min.)

8 This module is used in the following degree programmes as well Masters Mechanical Engineering: Werkstoff-Engineering

10 Responsibility for module Prof. Gunther Eggeler

11 Other information A list with recommended literature and class notes will be available online.


25 Module List

NANOTECHNOLOGY AND INTEGRITY OF SMALL SCALE SYSTEMS

Module code 7-PC3

Student work-load

180 hours

Credits 6

Semester 2nd


Duration 1 semester






2 Learning outcomes Students will unerstand the concepts and methods of nanotechnology. andknow how to fabricate and characterize nanoscale materials. They furthermore will get to know prominent examples of nanoscale materials and their special effects. They will learn the important concepts of integrity of small scale systems (micro-, nanosystems) and develop the skills to evaluate scientific papers and to present scientific topics to an audience.

3 Subject aims • Introduction to concepts of nanotechnology (“bottom up”, “top down”) • Origin of nanoscale effects • Methods for the fabrication and characterization of nanosystems • Nanoscale materials (thin films, particles) • Bio-nanosystems • Integrity and lifetime of nanosystems • Application examples of nanosystems


6 Assessment methods Presentation (20 minutes, weight 1/3), written examination (90 minutes, weight 2/3)

8 This module is used in the following degree programmes as well Masters Mechanical Engineering: Micro-Engineering

10 Responsibility for module Prof. Dr. Alfred Ludwig



26 Module List

POLYMERS AND SHAPE MEMORY ALLOYS

Module code 7-PC4

Student work-load

180 hours

Credits 6

Semester 2nd


Duration 1 semester






2 Learning outcomes Students will get acquainted with the morphology/microstructure of polymers and shape memory alloys and learn how to process these materials. They will understand the basic mechanical and functional properties of these two materials classes with a special focus on engineering applications and become familiar with scale bridging concepts, i.e. they can discuss macroscopic properties in view of atomistic interactions and morphological/microstructural features. Most importantly, they will understand the relation between morphoogy/microstructure and mechanical and functional properties.

3 Subject aims • Processing and morphology of polymers • Characterization of polymers • Physical and thermodynamic aspects of polymer materials science • Mechanical and functional properties of polymers and engineering applications • Introduction of the shape memory effects in crystalline materials • Characterization of shape memory alloys • Role of the martensitic transformation in shape memory technology • Mechanical and functional properties of shape memory alloys




10 Responsibility for module Dr. Klaus Neuking (polymers), Dr. Jan Frenzel (shape memory alloys)



27 Module List

MULTISCALE MODELLING IN MATERIALS SCIENCE

Module code 8-MS1

Student work-load

180 hours

Credits 6

Semester 3rd


Duration 1 semester





5 Prerequisites for participation Successful completion of module 2 or equivalent.

2 Learning outcomes Students will gain knowledge about the different length and time scales on which the phenomena and mechanisms of materials behaviour occur. They will furthermore understand the different levels to describe these phenomena and the existing approaches to bridge and integrate these scales, including their range of validity. They build up the skills to independently develop scale-bridging models that integrateall necessary scales and to employ these models to describe and predict mate-rials behaviour under given conditions.

3 Subject aims • Characteristic examples involving multiple time- and length-scales in materials science • Classification of models (electronic, atomistic, mesoscale, macroscale/continuum) • Concepts of concurrent and hierarchical multi-scale approaches • Strategies for deriving coarse-grained models • Atomistically and microstructurally informed continuum models • Examples and applications of different multiscale methods in the seminar

4 Teaching methods lecture, numerical exercises, seminar paper, case studies

6 Assessment methods Oral (30 minutes) examination


10 Responsibility for module Prof. Alexander Hartmaier, Prof. Ralf Drautz



28 Module List

ADVANCED ATOMISTIC SIMULATION METHODS

Module code 8-MS2

Student work-load

180 hours

Credits 6

Semester 3rd


Duration 1 semester





5 Prerequisites for participation Successful completion of “Theoretical and Applied Materials Science” (Module 3)

2 Learning outcomes Atomistic simulations in materials science are challenging since they often involve large system sizes and long time scales to capture the physical properties of interest. This requires the application of simulation techniques that go beyond the standard methods. In this course students will gain an understanding of the basic concepts of advanced atomistic simu-lation techniques. They will be introduced to methods for coarse-graining the description of the electronic structure to go to larger system sizes as well as methods for extending the accessible time scale compared to those reached with regular molecular dynamics.

3 Subject aims • Coarse graining the electronic structure: derivation of interatomic potentials from the elec-

tronic structure • Hybrid approaches, quantum mechanics/molecular mechanics (QM/MM) • Biased sampling, configurational biased Monte Carlo, Wang-Landau, parallel tempering • Accelerating the dynamics: hyperdynamics, bond boost method, parallel replica Molecular

Dynamics, temperature accelerated Molecular Dynamics • Coarse graining the dynamics: separation of time scales, markovian state models • Transition State Theory, Transition State search: dimer method, nudged elastic band

method, string method, drag method, transition path sampling • State-to-state dynamics: kinetic Monte Carlo, lattice approximation, adaptive kinetic Monte

Carlo • Applications to materials (metals/semiconductors in bulk, surface, nanoparticle systems),

and biomolecules 4 Teaching methods

lecture, discussions, numerical exercises 6 Assessment methods

oral examination (30 minutes) 8 This module is used in the following degree programmes as well

none 10 Responsibility for module

Prof. Ralf Drautz 11 Other information

Lecture notes will be provided


29 Module List

NUMERICAL SIMULATION OF FRACTURE OF MATERIALS

Module code 8-MS3

Student work-load

180 hours

Credits 6

Semester 3rd


Duration 1 semester





5 Prerequisites for participation Successful completion of “Theoretical and Applied Materials Science” (Module 3).

2 Learning outcomes The students shall attain the ability to independently simulate fracture including plasticity for a wide range of materials and geometries, use conventional fracture mechanics to make estimates of frac-ture growth, know the physical background of fracture. The students will develop the skills to oper-ate the essential computational tools to simulate problems of material failure independently.

3 Subject aims • Overview of continuum mechanics, especially plasticity • Classical fracture mechanics • Finite element based fracture simulations • Fracture on the atomic scale (cohesive energy as function of the separation) • Concept of cohesive zones (CZ) • Application of FEM / CZ by using „Abaqus“ • Application to brittle & ductile fracture of different geometries

4 Teaching methods lecture, class, computer simulations (guided and independent)

6 Assessment methods Written (2 hours) or oral (30 minutes) examination, depending on number of students

8 This module is used in the following degree programmes as well Master course: Computational Engineering, Master course: Maschinenbau




30 Module List

LATTICE BOLTZMANN MODELLING: FROM SIMPLE FLOWS TO INTERFACE DRIVEN PHENOMENA

Module code 8-MS4

Student work-load

180 hours

Credits 6

Semester 3rd

Frequency winter-term

Duration 1 semester





5 Prerequisites for participation Successful completion of “Programming concepts in Materials Science” (module 1) or equivalent

2 Learning outcomes Students will gain knowledge about the mathematical foundations of the lattice Boltzmann method and its relation to macroscopic fluid dynamical (Navier-Stokes) equations. Theydevelop the skills to apply lattice Boltzmann methods to problems of interface driven flows and understand the ramifica-tions and extensions of the method.

3 Subject aims • Introduction to fluid dynamics on continuum level (Euler and Navier-Stokes equations) • Relation between the Boltzmann equation and the lattice Boltzmann method (LBM) • Application of the Chapman-Enskogmultiscale expansion analysis to obtain macroscopic

equations from the LBM • Adding thermal fluctuations to the lattice Boltzmann method • The difference between real and ideal fluids and how this issue may be tackled within the

LBM • Simulation of two phase system (e.g. droplet + vapor) within the LBM • Study of complex objects such as red blood cells within the lattice Boltzmann method

4 Teaching methods lecture, group work, case studies, discussions

6 Assessment methods oral examination (30 minutes)


10 Responsibility for module PD Dr. Fathollah Varnik



31 Module List

MODELLING OF METAL PLASTICITY IN FINITE ELEMENT ANALYSIS

Module code 8-MS5

Student work-load

180 hours

Credits 6

Semester 3rd

Frequency each winter term







2 Learning outcomes Students learn how to introduce micro-structural relations into continuum mechanical constitutive models that describe non-linear material behaviour. The build up the skills to develop material con-stitutive models and write the according subroutine for finite element applications. Successful stu-dents will be able to model metal forming processes, creep and fracture with physically based con-stitutive models.

3 Subject aims • Introduction of nonlinear continuum mechanics • Physics mechanisms of plastic deformation • Crystal orientations and texture analysis • Slip system based constitutive models • Single crystal deformation for different orientation and crystal structure • Polycrystal deformation with boundary condition (Taylor and Sachs), with the self-

consistent method, and with the crystal plasticity finite element method • Creep and fracture with the crystal plasticity finite element method

4 Teaching methods lecture, numerical exercises and group seminars






32 Module List

MECHANICAL MODELLING OF MATERIALS

Module code 8-MS6

Student work-load

180 hours

Credits 6

Semester 3rd


Duration 1 semester





5 Prerequisites for participation Basic knowledge in Mathematics and Mechanics (Statics, Dynamics and Strength of Materials)

2 Learning outcomes The objective of this course is to present advanced issues of mechanics and continuum-based mod-elling of materials. The concepts introduced will be applied to numerous classes of materials. Basic constitutive formulations will be discussed numerically (Matlab).

3 Subject aims • Basic concepts of continuum mechanics (introduction) • Basic rheology of materials (solid, fluid, multiphase materials, jammed materials) • Basic concepts of constitutive • 1-dimensional constitutive approaches for • Elasticity, hyperelasticity • Inelasticity (plasticity, damage, viscoelasticity) • Multiphase/porous materials • 3-dimensional generalization of material concepts




10 Responsibility for module Prof. Dr.-Ing. Holger Steeb

11 Other information Literature: N.S. Ottosen: The Mechanics of Constitutive Modeling, Elsevier, 2005 A. Bertram: Elasticity and Plasticity of Large Deformations: An Introduction, Springer, 2008.


33 Module List

SOLIDIFICATION PROCESSING

Module code 9-PC1

Student work-load

180 hours

Credits 6

Semester 3rd


Duration 1 semester






2 Learning outcomes Students will gain knowledge about different casting technologies, their application and specific characteristics. This includes the causes of casting defects and strategies to avoid defects. Further-more, the rRelationship of casting microstructure and process conditions will be discussed and principles of alloy thermodynamics and solidification will be introduced.

3 Subject aims • History of metal casing, field of application and economic importance • Shape-, pressure die-, continuous-, precision casting • Directional solidification, rapid solidification, rheo- and tixo casing • Mold material, molding and recycling • Mold filling and heat transfer (radiation and conduction) • Simulation of mold filling, solidification and casting microstructure • During the exercises practical casing and microstructure analysis is demonstrated in the

laboratory and during excursions to different foundries specialized on different casting techniques. The use of commercial software products for casting- and microstructure evo-lution simulation is demonstrated and trained on the computer.




10 Responsibility for module Prof. Ingo Steinbach

11 Other information Literature: Kurz W; Fisher D. “Fundamentals of Solidification“, Trans Tech Publications Stephanescu D “Science and Engineering of Casting Solidification“, Springer


34 Module List

MODERN COATING TECHNOLOGIES

Module code 9-PC2

Student work-load

180 hours

Credits 6

Semester 3rd


Duration 1 semester





5 Prerequisites for participation Basic knowledge in materials science and engineering from modules 2 and 3.

2 Learning outcomes Students will gain insight into the art of thin films science and technology and broaden their knowl-edge in disciplines such as electronic and photonic materials, metallurgy, engineering science and mechanics, electrical engineering, and chemical engineering and thus will benefit significantly from this course. Successful students will understand the basic techniques and fundamental proc-esses of thin film deposition and develop the necessary skills to be able to select the most appropri-ate film deposition process to achieve a desired outcome for specific applications.

3 Subject aims • Physical and chemical routes to thin film fabrication: evaporation, sputtering, pulse laser

deposition (PLD), molecular beam epitaxy (MBE), chemical vapor deposition (CVD), atomic layer deposition (ALD), sol-gel process, plasma deposition process etc.

• Fundamental process during film deposition: adsorption, surface diffusion, nucleation, growth and microstructure development, defects, epitaxy, mechanism (using relevant the-ory and models)

• Material types with characteristic examples (emphasis on fundamentals and applications of each technique)

• Thin film properties and characterization • Process control and industrial applications (case studies)

4 Teaching methods lecture, class, lab tour with demonstration of PVD/CVD/ALD process



10 Responsibility for module Jun. Prof. Anjana Devi

11 Recommended literature: Thin film processes II: J. L. Vossen and W. Kern Handouts (lecture notes) given during the lecture


35 Module List

SURFACE SCIENCE AND CORROSION

Module code 9-PC3

Student work-load

180 hours

Credits 6

Semester 3rd


Duration 1 semester





5 Prerequisites for participation Successful completion of “Statistical Physics and Thermodynamics” (2b-E2) and “Elements of Mi-crostructure” (2a) or equivalent

2 Learning outcomes Students will obtain a fundamental understanding of corrosion science and related surface tech-nologies, as well as an introduction of engineering aspects for counteracting corrosion.

3 Subject aims • Short introduction into surface science and electrochemistry • Fundamental aspects of corrosion science: thermodynamics and kinetics • Understanding of typical corrosion problems • Countermeasures against corrosion • Surfaces technologies for corrosion protection




10 Responsibility for module Prof. Martin Stratmann, Dr. Michael Rohwerder



36 Module List

MATERIALS FOR AEROSPACE APPLICATIONS

Module code 9-PC4

Student work-load

180 hours

Credits 6

Semester 3rd


Duration 1 semester






2 Learning outcomes Students will gain a comprehensive overview of high performance materials for aerospace applica-tions, which includes the well-introduced materials and material systems as well as new develop-ments and visionary concepts. They understand how materials and material systems are designed to be ‘light and reliable’ under extreme service conditions such as fatigue loading, high temperatures, and harsh environments. The students will know about the degradation and damage mechanisms and learn how characterization and testing methods are used for qualifying materials and joints for aerospace applications. They learn about concepts and methods for lifetime assessment.

3 Subject aims • Loading conditions for components of air- and space crafts (structures and engines) • Development of materials and material systems for specific service conditions in aerospace

applications (e.g. for aero-engines, rocket engines, thermal protection shields for reentry vehicles, light weight structures for airframes, wings, and satellites)

• Degradation and damage mechanisms of aerospace materials and material systems under service conditions

• Characterization and testing methods for materials and joints for aerospace applications • Concepts and methods for lifetime assessment

4 Teaching methods lecture, clss

6 Assessment methods written (2 hours) or oral (30 minutes) examination, depending on number of students


10 Responsibility for module Prof. Marion Bartsch

11 Other information: Lecture notes will be provided


37 Module List

GENERAL OPTIONAL SUBJECT

Module code 10

Student work-load

180 hours

Credits 6

Semester 1st

Frequency free choice of avail-

able modules

Duration 1 semester

1 Types of courses lecture and class

Contact hours 80 hours


Class size 5–15 students

5 Prerequisites for participation see specific module description

2 Learning outcomes By freely choosing lectures students can widen their skill or method spectrum according to their personal interests.

3 Subject aims • Develop knowledge and skills in fields beyond engineering and science • Deepen knowledge about specific topics in Materials Science and Simulation according to

own interests Any module from a Master’s course will be recognized. Some suggested courses are listed in the following as modules 10-1 to 10-6.

4 Teaching methods see specific module description

6 Assessment methods written or oral examination as given in specific module description

8 This module is used in the following degree programmes as well see specific module description

10 Responsibility for module see specific module description

11 Other information


38 Module List

ADVANCED FINITE ELEMENT METHODS

Module code 10 - 1

Student work-load

180 hours

Credits 6

Semester 2nd


Duration 1 semester


Contact hours 60 hrs (4 SWS)



5 Prerequisites for participation Basics in mathematics, mechanics and structural analysis (Bachelor), good knowledge in finite ele-ment methods in linear structural mechanics

2 Learning outcomes The main goal of this course is to qualify the students to numerically solve nonlinear problems in engineering sciences by providing the methodological basis of the geometrically and physically nonlinear finite element method.

3 Subject aims • non-linear continuum mechanics • the weak form, consistent linearization and finite element discretization of non-linear elas-

todynamics • one-dimensional spatial truss elements • the principles of the formulation of geometrically nonlinear finite elements. overview on

nonlinear constitutive models including elasto-plastic and damage models • algorithms to solve the resulting non-linear equilibrium equations by load- and arc-length

controlled Newton-type iteration schemes • application of the non-linear finite element method non-linear stability analysis of struc-

tures • exercises to demonstrate the application of the non-linear finite element method for the so-

lution of selected examples • practical applications of the non-linear finite element method demonstrated by means of a

commercial finite element programme. 4 Teaching methods

lecture, class 6 Assessment methods


Master Course: Computational Engineering (Import lecture) 10 Responsibility for module

Prof. Dr. techn. Günther Meschke and assistants 11 Other information

Literature: Manuscript and Lecture notes T. Belytschko and W.K.Liu, Nonlinear Finite Elements for Continua and Structures, Wiley, 2000 O.C. Zienkiewicz, R.L. Taylor, The Finite Element Method for Solid and Structural Mechanics, El-sevier, 2005


39 Module List

THEORETICAL AND COMPUTATIONAL PLASTICITY

module code 10 - 2

Student work-load

90 hours

Credits 3

Semester 1st


Duration 1 semester





5 Prerequisites for participation Basic knowledge of continuum mechanics

2 Learning outcomes Students will learn the fundamentals of computational modelling of inelastic materials with em-phasis on rate independent plasticity. They will be provided with asound basis for approximation methods and the finite element method and a goodunderstanding of different methodologies for discretisation of time evolution problems, and rate independent elasto-plasticity in particular.

3 Subject aims • Introduction: Physical Motivation. Rate Independent Plasticity. Rate Dependence. Creep.

Rheological Models • 1-D Mathematical Model: Yield Criterion. Flow Rule. Loading / Unloading Conditions. Iso-

tropic and Kinematic Hardening Models • Computational Aspects of 1-D Elasto-Plasticity: Integration Algorithms for 1-D Elasto-

Plasticity. Operator Split. Return Mapping. Incremental Elasto-Plastic BVP. Consistent Tangent Modulus

• Classical Model of Elasto-Plasticity: Physical Motivation. Classical Mathematical Model of Rate-Independent. Elasto-Plasticity: Yield Criterion. Flow Rule. Loading / Unloading Con-ditions

• Computational Aspects of Elasto-Plasticity: Integration Algorithms for Elasto-Plasticity. Op-erator Split. The Trial Elastic State. Return Mapping. Incremental Elasto-Plastic BVP. Con-sistent Tangent Modulus

• Integration Algorithms for Generalized Elasto-Plasticity: Stress Integration Algorithm • Computational Aspects of Large Strain Elasto-Plasticity: Multiplicative Elasto-Plastic Split.

Yield Criterion. Flow Rule. Isotropic Hardening Operator Split. Return Mapping. Exponen-tial Map. Incremental Elasto-Plastic BVP


6 Assessment methods Assessment: 60% by examination (open book exam), 40% by course work (three small projects that will require both hand calculation and computer simulation. Computer simulation will require a certain amount of programming).

8 This module is used in the following degree programmes as well Master Course: Computational Engineering

10 Responsibility for module Prof. Dr. Klaus Hackl

11 Other information Literature: Lecture notes J.Lemaitre and J.-L. Chaboche: Mechanics of Solid Materials , Cambridge University Press, Cam-bridge, 1990. J. Lubliner: Plasticity Theory, Macmillan, New York, 1990. M.A. Crisfield: Basic plasticity Chapter 5. in: Non-linear Finite Element Analysis of Solids and Structures. Volume1: Essentials, John Wiley, Chichester, 1991. J. C. Simo and T. J. R. Hughes, Computational Inelasticity, Springer, 1998. F. Dunne, N. Petrinic, Introduction to Computational Plasticity, Oxford University Press, 2005.


40 Module List

FINITE ELEMENT METHODS IN LINEAR STRUCTURAL MECHANICS

Module code 10 - 3

Student work-load

180 hours

Credits 6

Semester 1st


Duration 1 semester





5 Prerequisites for participation Basics in mathematics, mechanics and structural analysis (Bachelor)

2 Learning outcomes The main goal of this course is to qualify students to numerically solve linear engineering problems by providing a sound methodological basis of the finite element method. The spectrum of possible applications includes in addition to numerical analysis of trusses, beams and plates also analyses of transport processes such as heat conduction and pollutant transport.

3 Subject aims • Introduction to the finite element method in the framework of linear elastodynamics • step by step explanation of principles of spatial discretization using the finite element

method. • one-dimensional isoparametric p-truss elements development of two-(plane stress and

plane strain) and three-dimensional isoparametric p-finite elements for linear structural mechanics

• application of the finite element method to the spatial discretization of problems associated with transport processes within structures (e.g. heat conduction, pollutant transport, mois-ture transport, coupled problems) is demonstrated

• finite element models for beams and plates • aspects of element locking and possible remedies practical application of the finite element

method for the solution of selected examples. practical applications of the finite element method by means of a commercial finite element program.




10 Responsibility for module Prof. Dr. techn. Günther Meschke and assistants

11 Other information Literature: Manuscript and Lecture Notes J. Fish and T. Belytschko, A First Course in Finite Elements, Wiley, 2007 K.-J. Bathe, Finite Element Procedures, Prentice Hall, 1996 T.J.R. Hughes, The Finite Element Method. Linear Static and Dynamic Finite Element Analysis, Prentice Hall, 1987 O.C. Zienkiewicz, R.L. Taylor, The Finite Element Method. Part I: Basis and Fundamentals, Elsevier Science & Technology, 2005


41 Module List

ADAPTIVE FINITE ELEMENT METHODS

Module code 10 - 4

Student work-load

180 hours

Credits 6

Semester 1st

Frequency once per year, usually

in the winter term






5 Prerequisites for participation Basic knowledge about partial differential equations and their variational formulation, finite ele-ment methods, numerical methods for the solution of large linear and non-linear systems of equa-tions.

2 Learning outcomes Students willattain familiarity with advanced finite element methods for the numerical solution of differential equations and of advanced solution techniques for the resulting discrete problems in particular multigrid techniques.

3 Subject aims Introduction 1. week

• Need for efficient solvers; drawbacks of classical solvers; need for error estimation; draw-backs of classical a priori error estimates; need for adaptivity; outline

Notation 2.-4. week • model differential equations; variational formulation; Sobolev spaces, their norms and

properties; finite element partitions and basic assumptions; finite element spaces; review of most important example; review of a priori error estimates

Basic a posteriori error estimates 5.-6. week • equivalence of error and residual; representation of the residual; upper bounds on the re-

sidual; lower bounds on the residual; local and global bounds; review of general structure; application to particular examples

A catalogue of error estimators 7. week • residual estimator; estimators based on local problems with prescribed traction; estimators

based on local problems with prescribed displacement: hierarchical estimates; estimators based on recovery techniques; equilibrated residuals; comparison of estimators

Mesh adaptation 8. week • general structure of adaptive algorithms; marking strategies; subdivision of elements;

avoiding hanging node; convergence of adaptive algorithms Data structures 9.-10. week

• local and global enumeration of elements and nodes; enumeration of edges and faces; neighbourhood relation; hierarchy of grids; refinement types; derived structures for higher order elements and for matrix assembly

Stationary iterative solvers 11.-12. week • review of classical methods and of their drawbacks; taking advantage of adaptivity; conju-

gate gradients; need for preconditioning; suitable pre-conditioners Multigrid methods 13.-14. week

• why do classical methods fail; spectral decomposition of the error and consequences for it-erative solution; multigrid idea; generic structure of multigrid algorithms; basic ingredients of multigrid algorithms; role of smoothers; examples of suitable smoothers


6 Assessment methods Written examination (2 hours)


10 Responsibility for module Prof. Dr. Rüdiger Verfürth



42 Module List

Literature: Lecture Notes are available online at: http://www.rub.de/num1/skripten/AdaptiveFEM.pdf M. Ainsworth, J. T. Oden: A Posteriori Error Estimation in Finite Element Analysis. Wiley, 2000 D. Braess: Finite elements: Theory, Fast Solvers and Applications in Solid Mechanics. Cambridge University Press, 2001 R. Verfürth: A Review of A Posteriori Error Estimation and Adaptive Mesh-Refinement Techniques. Teubner-Wiley, Stuttgart, 1996 R. Verfürth: A review of a posteriori error estimation techniques for elasticity problems. Comput. Meth. Appl. Mech. Engrg. 176, 419 –440 (1999) (www.rub.de/num1/rv/papers/RAPEETEP.ps.gz) ALF demo applet and user guide (www.rub.de/num1/demo/index.html)


43 Module List

ENERGY METHODS IN MATERIAL MODELING Module code

10 - 5 Student work-

load 120 hours

Credits 4

Semester 1st


Duration 1 semester





5 Prerequisites for participation Basics in mathematics and continuum mechanics

2 Learning outcomes Students will gain fundamental knowledge about energy methods in material modeling, including the underlying mathematical concepts and numerical estimates for simulating microstructural as-pects of the material behavior of solids via energy minimization.

3 Subject aims • Energy minimization for phase transforming materials: Boundedness, Coercivity, Notions

of convexity

• Estimates of the energetically optimal microstructure: Quasiconvexification, Convexifica-tion, Polyconvexification, Rank-1-convexification

• Examples: TRIP-Steels; Shape memory alloys: Introduction and material model, Convexifi-cation, Translation method, Lamination


6 Assessment methods written examination (2 hours, weighted 75%), participation in class (weighted 25%)

8 This module is used in the following degree programmes as well Master Course: Computational Engineering

10 Responsibility for module Dr.-Ing. Rainer Fechte-Heinen

11 Other information Lecture notes will be provided. Literature: Bhattacharya, Kaushik: Microstructure of Martensite – Why it forms and how it gives rise to the shape-memory effect. Oxford University Press, Oxford, 2003 Silhavý, Miroslav: The mechanics and thermodynamics of continuous media. Springer, Berlin, 1997


44 Module List

ENGINEERING CERAMICS & COATING TECHNOLOGY

Module code 10 - 6

Student work-load

180 hours

Credits 6

Semester 1st

Frequency summer-term

Duration 1 semester





5 Prerequisites for participation Successful completion of “Assessment and Description of Material Properties” (2b-N1) or equiva-lent

2 Learning outcomes The students will get a profound knowledge about engineering ceramics and their technical applica-tions.A broad knowledge in different coating technologies will give the students the ability to select suitable coating methods especially for wear, corrosion and thermal barrier applications.

3 Subject aims • powder synthesis, shaping, sintering and characterization methods for ceramic materials • physical, chemical and thermodynamic basics • applications of engineering ceramics • basic knowledge on different coatings technologies (PVD, CVD, electroplating, thermal

spray processes and others) • coating technologies to improve the useful properties of materials




10 Responsibility for module Prof. Robert Vaßen

11 Other information Literature: Neue keramische Werkstoffe, Lothar Michalowsky Sintervorgänge, Grundlagen, Werner Schatt Plasma Spray Coating, Robert B. Heiman, Handouts (lecture notes) given during the lecture


45 Module List

PHASE-FIELD THEORY AND APPLICATION

Module code 10 - 7

Student work-load

120 hours

Credits 4

Semester 2nd

Frequency summer-term

Duration 1 semester

1 Types of courses a) lecture b) exercises




5 Prerequisites for participation Students must have good knowledge in statistical and condensed matter physics. Programming skills in C++ are of advantage.

2 Learning outcomes The students will learn the principles of mesoscopic structure formation in condensed matter and theoretical methods to investigate scale separation in condensed matter. Special emphasis will be on the phase-Field theory of phase transformation which is based on the time-dependent Gintzburg-Landau theory. In the practical exercises we will develop a simple software code to simulate den-dritic growth in 3D and study examples with multiple phases, adventive transport and elastic inter-actions using the phase-field software OpenPhase. The exercises are not compulsory (in case, that the student misses more than 50% of the exercises, only 2 points will be credited for the module).

3 Subject aims • Dendric solidification, scale invariant solution and microscopic solvability • Traveling wave solution of a phase front, sharp and thin interface limit • Anisotropy and theξ-vector approach • Coupling to outer fields, elasticity • Coupling to multiphase flow via the Lattice Boltzmann method • Microscopic variables and fluctuations, extension to critical phenomena • Miscellaneous applications in materials science

4 Teaching methods lecture, exercises

6 Assessment methods written exam


10 Responsibility for module Prof. Ingo Steinbach, Dr. habil. Fathollah Varnik, Dr. Oleg Shchyglo

11 Other information Lecture notes will be provided online


46 Module List

PHASE-FIELD THEORY II: ADVANCED TECHNIQUES AND MISCELLANEOUS PROBLEMS

Module code 10 - 8

Student work-load

120 hours

Credits 4

Semester 3rd

Frequency winter -term

Duration 1 semester

1 Types of courses a) lecture b) exercises




5 Prerequisites for participation Successful completion of the lecture “Phase-Field Application I” (summer term). Programming skills in C++ are of advantage.

2 Learning outcomes The students will deepen their understanding of the phase-field method in general, learn new appli-cation to coupled problems in materials processing and new techniques. In the exercises the appli-cation of OpenPhase will be trained with practical examples. Also presentation and discussion of actual scientific publication will be trained during the exercises. The exercises are compulsory to attain full credits.

3 Subject aims • Multicomponent diffusion and linearized phase diagrams • Antitrapping current • Cross coupling between diffusion and strain • Coupling to multiphase flow via the Lattice Boltzmann method • Miscellaneous applications in materials science

4 Teaching methods lecture, exercises

6 Assessment methods written exam


10 Responsibility for module Prof. Dr. Ingo Steinbach, Dr. habil. Fathollah Varnik, Dr. Oleg Shchyglo

11 Other information Lecture notes will be provided online


47 Module List

OPTIONAL SCIENTIFIC OR ENGINEERING SUBJECT

Module code 11

Student work-load

120 hours

Credits 4

Semester 3rd


able modules

Duration 1 semester






2 Learning outcomes By freely choosing lectures from a general scientific or engineering subject students can widen their skill or method spectrum and set an individual focus to their curriculum matching their personal interests.

3 Subject aims • Transfer knowledge and skills gained from modules in Materials Science and Simulation to

a broad spectrum of other engineering and science fields and vice versa. • Learn new methods or problem solving techniques Any module from engineering or science Master’s courses will be recognized.

4 Teaching methods see specific module description

6 Assessment methods written or oral examination as given in specific module description

8 This module is used in the following degree programmes as well see specific module description

10 Responsibility for module see specific module description



48 Module List

NON-TECHNICAL/NON-SCIENTIFIC OPTIONAL MODULE

Module code 12

Student work-load

210 hours

Credits 7

Semester 1st and 2nd


able modules

Duration 2 semesters






2 Learning outcomes Participation in courses like “German language for foreigners”, “Scientific Writing”, “Presentation Skills”, “Project and Quality Management”, “Business Skills”,“Intercultural Competence”, etc. will develop skills in these fields that are non-science related, but very important for successful profes-sional carreers. Such courses help the students to develop their personality.

3 Subject aims Develop non-science related personal skills like

• Documenting and communication science • German language for foreigners • Project and quality management • Business skills • Presentation skills • Intercultural competence • Language skills

A current list of suggested topics is available from the Materials Science and Simulationhead office. 4 Teaching methods

see specific module description 6 Assessment methods

written or oral examination as given in specific module description 8 This module is used in the following degree programmes as well

see specific module description 10 Responsibility for module

see specific module description 11 Other information


49 Module List

DOCUMENTING AND COMMUNICATING SCIENCE

Module code 12a

Student work-load

120 hours

Credits 4

Semester 1st

Frequency Winter term

Duration 1 semester


Contact hours 30 hours lecture 15 hours classes




2 Learning outcomes Participants will learn how to prepare different types of scientific documents. Structural elements of different formats will be discussed. An introduction to scientific typesetting, plotting and graphic tools will be given. Students will learn about literature research and prepare a short written report and an oral presentation about a literature survey on a current topic in materials research.

3 Subject aims • Structures, style, and types of scientific documents • LaTeX • Literature research, citations, quotations, copyright issues, plagiarism • Presenting and structuring scientific data • Graphics and images • Oral presentation tools

4 Teaching methods

Lecture and hands-on tutorials in CIP-pool, literature-review as independent study 6 Assessment methods

Short written report, short oral presentation 8 This module is used in the following degree programmes as well

--- 10 Responsibility for module

Prof. Ralf Drautz 11 Other information


50 Module List

PROJECT WORK

Module code 13

Student work-load

180 hours

Credits 6

Semester 3rd

Frequency continuous offers of

topics

Duration 1 semester

1 Types of courses practical work



Class size 1-3 students

5 Prerequisites for participation Successful completion of all compulsory modules of first and second semester

2 Learning outcomes Upon successful completion of the subject students will be able to develop and apply individual or team-based problem solution strategies to research in materials science. Furthermore they develop the necessary skills to report and presentresults of scientific projects in oral and written form. Teamwork is an important aspect, relevant to future work.

3 Subject aims • Treatment of a scientific subject in a given time • Scientific solution for a given practical problem • Application of learned techniques from previous modules • Teamwork • Analyze and discuss results of individual research • Documentation of results in written report

4 Teaching methods individual or team research project with written final report, continuous contact periods to advice the student(s), oral presentation (20-30 minutes) of progress during group seminars and discus-sions

6 Assessment methods written report (~30 pages)


10 Responsibility for module all lecturers of the Master course



51 Module List

MASTER THESIS

Module code 14

Student work-load

900 hours

Credits 30

Semester 4th.

Frequency continuous offers of

topics

Duration 1 semester

1 Types of courses practical work



Class size 1 student

5 Prerequisites for participation successful completion of all previous modules including the project work

2 Learning outcomes Upon successful completion of the master thesis students acquire the ability to independently plan, organize, develop, operate and present individual research activities in the field of materials science. Furthermore they develop the skills to carefully analysze and discuss the results of their research work.

3 Subject aims • Conduct individual scientific project • Conduct literature survey • Application of learned techniques from previous modules • Independent identification and solution of scientific problems • Analysize and discuss results of individual research • Written and oral presentation of the results

4 Teaching methods individual research project with written final report,continuous contact to advice the student, oral presentation (20-30 minutes) of progress during group seminars and discussions

6 Assessment methods written thesis (40 to 150 pages)


10 Responsibility for module all lecturers of the Master course


· wh . cp : 1. sem. v Ü . 2. sem. v Ü : 3. sem. v Ü . 4. sem. v Ü : basic modules 1...

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