Dresden 2006 – wissenschaftliches Programm

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DY: Dynamik und Statistische Physik

DY 46: Poster

DY 46.104: Poster

Donnerstag, 30. März 2006, 16:00–18:00, P1

Computer Simulation of Binary Crystal Growth from Solution — •Felix Kalischewski and Andreas Heuer — Institut für Physikalische Chemie, Westfälische Wilhelms-Universität, 48149 Münster

We investigate the interface dynamics and equilibrium properties governing epitaxial growth of binary crystals from solution.

First, we focus on jump rates of single particles between characteristic sites by means of a lattice-free Monte-Carlo model using the Lennard-Jones (12,6)-potential. Relatively fast transitions (e.g. surface-diffusion) can be analyzed by direct "observation". Rates of rather slow processes (e.g. ad/desorption, step-diffusion) are determined based on the free energy of their path in an Eyring-like fashion.

The exploration of equilibrium properties requires larger systems, thus a faster hdp/fcc-lattice simulation employing nearest-neighbor interactions is applied. We specifically investigate the combined solubility of the end-members depending on the crystal composition. We observe a behavior in general agreement with the Lippmann-diagrams. Deviations from the ideal solid solution are discussed.

These results provide the microscopic basis for models describing oscillatory zoning in binary solid solutions.