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Institute for Advanced Simulation (IAS)

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NIC research group Computational Materials Physics

Head of the NIC research group

Prof. Dr. Martin Müser

Prof. Dr. Martin Müser
Phone: +49 2461 61-9095
Fax: +49 2461 61-6656

The NIC research group Computational Materials Physics contributes to the development and the application of computer simulations from the atomistic to the continuum scale. Its mission is to improve our understanding of materials with the ultimate goal of providing guidelines for the improvement of materials.

Particular research topics:

  • Nanotribology, friction and dissipation mechanisms
  • Contact mechanics, leakage, and percolation
  • Development of force fields for redox reactions
  • Energy materials, electrode-electrolyte interfaces
  • Principles of optoelectronic memory materials

Cover Journal Soft Matter

Dissipation of polymer brushes

Lubrication of biological systems often involves the presence of polymers that are end-anchored to rubbing surfaces. The polymers swell in a solvent to form brushes, which then act as low-viscosity bearings when surfaces slide against a counter face. More: Dissipation of polymer brushes …

Small fraction of the interface between a seal and a substrate. Brighter colors indicate increased flow.

Contact mechanics and seal leakage

Seals are devices to close a gap and to prevent fluid flow through a joint. Although seals play a crucial role in many modern engineering devices, inexpensive elastomeric seals such as O-rings are often used. The failure of seals can have serious ramifications. More: Contact mechanics and seal leakage …