Metastable and Nanostructured Materials

Site-exchange based phenomena: Lattice Monte Carlo (MC) Simulation


We use MC-Simulations based on an Ising-type hamiltonian for the determination of atomic equilibrium configurations [values from: Müller et al., Phys Rev. B 72, 094203 (2005) URL]. The influence of the temperature is hereby included by the so called Metropolis-algorithm. In the case of FePt-nanoparticles we study segregation and ordering phenomena for different particle morphologies.


Atomic configuration (yellow: Fe, cyan: Pt) of a stoichiometric Fe50Pt50 icosahedron after MC-Simulations for different temperatures a) at 1800 K b) at 300 K.




Dr. Darius Pohl
Phone: +49-351-4659-758