Simple model systems: Static and dynamic aspects of heterogeneous nucleation within simulation, phase field crystal and dynamic density functional theory

• Applicant: Professor Dr. Martin Oettel
• Subject Area: Materials Science
• Term: from 2007 to 2013
• Project identifier: Deutsche Forschungsgemeinschaft (DFG) - Project number 50848280

We aim at a thorough understanding of the dynamics of fluid - solid interfaces during crystallization in simple model systems (hard spheres and Lennard-Jones as generic examples of a colloidal uid and a metal, respectively). To this end, we employ Molecular Dynamics Simulation and Dynamic Density Functional Theory and compare to the effective Phase Field Crystal approach. Particular emphasis shall be on investigating the question whether the picture of few leading density modes (as implicit in the effective approach) is valid. The interface dynamics will be investigated in the case of the growth of a planar front as well as the growth around fixxed seeds or walls (heterogeneous nucleation).

• DFG Programme: Priority Programmes
• Subproject of: SPP 1296: Heterogeneous Nucleation and Microstructure Formation: Steps towards a System- and Scale-bridging Understanding
• International Connection: Luxembourg
• Participating Person: Professorin Dr. Tanja Schilling