Berlin 2024 – wissenschaftliches Programm

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MM: Fachverband Metall- und Materialphysik

MM 33: Transport in Materials: Diffusion, Conduction of Charge or Heat III

MM 33.2: Vortrag

Mittwoch, 20. März 2024, 10:30–10:45, C 264

Intermixing of nanoparticle metal alloy — •Yong Li¹ and Jörg Weissmüller^2,1 — 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, R_cms, scales with time, t, as R_cms ∝ √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, t_{1/2 a1} , shows a power-law dependence to r with a scaling exponent of 6.