From Molecular to Continuum Physics I

Content

• atomic structure of materials; crystal lattices;
• lattice defects; elements of thermodynamics and statistical mechanics;
• molecular dynamics (concepts, interatomic potentials, algorithms and numerical aspects);
• phase-field method (concepts and fundamentals, variational formulation, numerical implementation, coupled problems).

Objective

The students will get familiar with the atomic structure of materials and its effect on mechanical properties. The focus will be put on crystalline materials, lattice defects therein as well as their dynamics and contribution to the formation of microstructure. The students are also introduced to relevant concepts from thermodynamics and statistical mechanics as well as state of the art numerical simulation techniques such as molecular dynamics (MD) and the phase-field method.

Recommended previous knowledge

basic knowledge in physics

Recommended reading

• Frenkel and Smit: Understanding Molecular Simulation
• Hull and Bacon: Introduction to Dislocations
• Provatas and Elder: Phase-Field Methods in Material Science and Engineering

Lecture and exercise dates WS23/24

will be posted in late summer

Exam WS23/24

will be posted in late summer