Thin films and 2D materials (lecture) - Single View

The lecture deals with the physical principles, preparation methods, properties and applications of thin films and two-dimensional materials (graphene, etc.).

• Gottstein, G.: Physikalische Grundlagen der Materialphysik (Springer 2001)
• Gross,D.: Bruchmechanik (Springer 1996)
• Nembach, E.: Particle Strengthening in Metals and Alloys (New York, Wiley 1996)
• Hirth, J. P., Lothe, J.: Theory of Dislocations (Krieper Publishing 1992)
• Gere, J. M., Timoshenko, S. P.: Mechanics of Materials (Chapman & Hall 1991)
• Landau, L. D., Lifschitz, E. M.: Elastizitätstheorie (Akademie Verlag 1989)

Vordiplom in Physics, Chemistry, Geo-physics, basic knowledge of materials science

Content:

The lecture course is focused on numerical methods in Materials Science. The following problems will be tackled:

• Data analysis: zero-value problem; interpolation; fitting of the data (LSM)
• Finite Differences’ Method: principles; stability; examples
• Finite Element Method: principles and examples
• Monte Carlo simulation: random numbers; random walk; thermodynamics
• Atomistic simulation: objects; methods; scales; times
• Practical example in atomic simulation:

Interatomic potentials: types; development; fitting

Molecular statics: Properties (structure; elastic; thermal expansion; point defects); Pure metals and ordered compounds: point defects; formation energies and entropies; migration energies and entropies

Molecular dynamics: velocity integration; ensembles (NVE, NVT, NPT)

examples: lattice calculations; point defects; diffusion