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- Title
Analysis of gas-phase condensation of nickel nanoparticles.
- Authors
Gafner, S. L.; Gafner, Yu. Ya.
- Abstract
Gas-phase condensation of 8000 nickel atoms is examined by molecular dynamics simulation with a tight-binding potential. A detailed study of the evolution of the system cooled at a constant rate from 1000 K to 77 K is presented. The results are used to identify four distinct stages of the evolution from a hot atomic gas to a few synthesized particles. An analysis of possible nanoparticle formation mechanisms suggests that cluster-cluster aggregation is the dominant one. The simulation shows that there two stages of cluster formation are of primary importance with regard to aggregation. At the first stage, spherical liquid clusters nucleate with uniform size distribution. The second stage is characterized by a distinct transition from uniform to bimodal size distribution due to aggregation of relatively large clusters. The particles obtained by gas-phase synthesis are analyzed by the CNA method [25]. It is found that most nanoparticles produced in the simulation have either icosahedral or mixed FCC/HCP structure.
- Subjects
PHYSICAL &; theoretical chemistry; MOLECULAR dynamics; NANOPARTICLES; ICOSAHEDRA; CLUSTER analysis (Statistics); CLUSTERING of particles
- Publication
Journal of Experimental & Theoretical Physics, 2008, Vol 107, Issue 4, p712
- ISSN
1063-7761
- Publication type
Article
- DOI
10.1134/S1063776108100191