| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1561496 | Computational Materials Science | 2012 | 9 Pages |
Abstract
⺠Analysis and derivation of a many-body force-field for the C-Ni(1 1 1) interaction from first-principles simulations. ⺠Carbon chains are kinetically favored over branched configurations. ⺠Carbon chains undergo very rapid diffusion on Ni(1 1 1). ⺠The diffusion of carbon chains does not necessarily lead to cross-linking.
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Authors
G. Barcaro, B. Zhu, M. Hou, A. Fortunelli,