Micro- and Nanomechanics for Simulation Science

Content

Students will get familiar with:

• Elements of Thermodynamics
• Concepts in Statistics and Probability
• Basic Statistical Mechanics: Ensembles, Observables and the Partition Function
• Entropic Elasticity
• Phase Transitions, Mean-field Theories
• The Monte Carlo Method
• Molecular Dynamics
• Landau theory, Phase Field

Objective

The students get to know the statistical foundations of thermodynamics, covering non- interacting (ideal) systems as well phase transforming materials. They get exposed to state of the art simulation techniques such as the Monte Carlo method and molecular dynamics (MD). Using the mean-field approach, the transition from the discrete to a continuum formulation is motivated, leading to a phase-field representation for the evolution of microstructures.

Recommended previous knowledge

• basic knowledge in physics

Recommended reading

• David Chandler: Introduction To Modern Statistical Mechanics
• Daniel C.. Mattis: Statistical Mechanics Made Simple
• J. M. Yeomans: Statistical Mechanics Of Phase Transitions
• Daan Frenkel &; Berend Smit: Molecular Simulation

Lecture and exercise dates WS25/26

Lecture: Wednesdays, 14:30 - 16:00 in S14 in C.A.R.L. and Fridays, 08:30 - 10:00 in S07 in C.A.R.L.

Exercise: Wednesdays, 16:15 - 17:45 in S14 in C.A.R.L.

Repeat Exam SS25

25 July 2025, 09:00 - 11:00 in H09 in C.A.R.L.

Contacts

Administrative Contact: Dr. Katharina Immel
Content: Dr. Michael Budnitzki, Dr. Hariprasath Ganesan, Tarik Tandogan