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Early Stages of Sintering of Si3N4 Nanoclusters Via Parallel Molecular Dynamics
Published online by Cambridge University Press: 10 February 2011
Abstract
We investigate early stages of sintering of silicon nitride (Si3N4) nanoclusters by molecular-dynamics (MD) simulations on parallel computers. Within 100 pico seconds, an asymmetric neck is formed between nanocrystals at 2,000K. In the neck region, there are more four-fold than three-fold coordinated Si atoms. In contrast, amorphous nanoclusters develop a symmetric neck, which has nearly the same number of three-fold and four-fold coordinated Si atoms. In the case of sintering among three nanoclusters, a chain-like structure forms in 200 pico seconds. The present study shows that sintering is driven by rapid diffusion of surface atoms and cluster rearrangement.
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- Copyright © Materials Research Society 1996