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MM: Fachverband Metall- und Materialphysik

MM 33: Diffusion and point defects II

MM 33.1: Vortrag

Donnerstag, 29. März 2007, 11:45–12:00, H6

Thermal vacancies in metallic nanoparticle — •Michael Müller and Karsten Albe — TU Darmstadt. Institut für Materialwissenschaft, FG Materialmodellierung, Petersenstr. 23, D-64287 Darmstadt

The influence of particle size on the concentration of thermal vacancies in metallic nanoparticles is investigated. By analyzing the contributions of surface energies and surface stresses to the vacancy formation energy, a particle size dependent model is derived. The vacancy concentration in metallic nanoparticles is predicted to be smaller than the bulk value. The results are verified by Monte Carlo simulations using a broken bond model and by molecular statics calculations with embedded atom method potentials. The combination of both methods allows to study the influence of surface energies and stresses, separately, and to verify the proposed model description.