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MD simulations of polymeric C 60 fullerene layers/chain under tension

✍ Scribed by Shen, H.

Book ID
120601117
Publisher
Taylor and Francis Group
Year
2006
Tongue
English
Weight
206 KB
Volume
32
Category
Article
ISSN
0892-7022

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Molecular dynamics (MD) simulation study
Molecular dynamics (MD) simulation study of the liquid phase of small fullerene cluster (C60)7
✍ A. PiΔ…tek; A. Dawid; Z. Dendzik; Z. Gburski πŸ“‚ Article πŸ“… 2006 πŸ› Elsevier Science 🌐 English βš– 334 KB

We have simulated (MD method) the dynamics of fullerenes (C 60 ) in extremely small cluster composed of only seven C 60 molecules. The interaction is taken to be the full 60-site pairwise additive Lennard-Jones (LJ) potential, which generates both translational and anisotropic rotational motions of