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- Ding, Feng
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Computational Studies of Catalytic Particles for Carbon Nanotube Growth
- Author(s)
- Bolton, Kim, Ding, Feng, Borjesson, Anders, Zhu, Wuming, Duan, Haiming, Rosen, Arne, Harutyunyan, Avetik R., Curtarolo, Stefano
- Issued Date
- 2009-01
- Citation
- JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE, v.6, no.1, pp.1 - 15
- Abstract
- We review our computational studies of the melting temperatures and mechanisms of iron and iron-carbide clusters. Both isolated and supported clusters have been considered, and substrates with different shapes or pores have been simulated. It has been seen, for example, that the surface curvature-or local surface curvature-of the particle plays a dominant role in the melting mechanism and temperature. It has also been observed that the melting mechanism for small clusters is different to that of larger clusters.
- Publisher
- AMER SCIENTIFIC PUBLISHERS
- ISSN
- 1546-1955
- Keyword (Author)
- Cluster, Melting, Carbon Nanotubes, Simulations
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