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MM: Fachverband Metall- und Materialphysik
MM 33: Transport in Materials: Diffusion, Conduction of Charge or Heat III
MM 33.2: Talk
Wednesday, March 20, 2024, 10:30–10:45, C 264
Intermixing of nanoparticle metal alloy — •Yong Li1 and Jörg Weissmüller2,1 — 1Institute of HydrogenTechnology, Helmholtz-Zentrum Geesthacht, Geesthacht, Germany — 2Institute of Materials Physics and Technology, Hamburg University of Technology, Hamburg, Germany
Metal or its alloy nanoparticles are widely used in catalysis. In this study, the surface diffusion-dominated Brownian motion of nanoparticles at different temperatures is simulated using Kinetic Monte Carlo (KMC). The initial structure of nanoparticles are ordered FCC binary alloy with radii ranging from 2 to 8 nm. It is found that the displacement of the particle centre of mass, Rcms, scales with time, t, as Rcms ∝ √Dt . The diffusion constant, D, has a power law relationship with the particle radius, r, D ∝ r−4 . The Cowley short-range ordering parameter, α1, is detected for the first nearest-neighbor shell. The time of α1 evolves to half of its initial value, t1/2 a1 , shows a power-law dependence to r with a scaling exponent of 6.