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. 2015 Apr 28;2(2):024302. doi: 10.1063/1.4916897

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© 2015 Author(s).

2329-7778/2015/2(2)/024302/12

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FIG. 4. — Molecular dynamics simulations. (a) Two snapshots from the MD simulations at 298 K (left) and 900 K (right). The corresponding movie is given in the supplementary material (Movie S1). (b) Radial distribution function (RDF) of the in-plane C–C bond length obtained from MD simulations at 298 K and 900 K. (c) RDF of the inter-plane C–C distances obtained from MD simulations at 298 K and 900 K.