Regensburg 2022 – wissenschaftliches Programm

Bereiche | Tage | Auswahl | Suche | Aktualisierungen | Downloads | Hilfe

CPP: Fachverband Chemische Physik und Polymerphysik

CPP 17: Poster 2

CPP 17.7: Poster

Dienstag, 6. September 2022, 11:00–13:00, P2

Two-step nucleation in confined geometry on a lattice gas model — •Jacob Holder, Ralf Schmid, and Peter Nielaba — Physics Department University of Konstanz, Konstanz, Germany

We deploy a degenerated Ising model to describe nucleation and crystallization from solution in a confined two-component system. The free energy is calculated using Metadynamics simulation. With nudged elastic band simulation we calculate the minimum energy path and give properties of the crystallization path. From the parameters and setup we find necessary conditions for the occurrence of two-step nucleation in our system.