Application of the ReaxFF reactive force fields to nanotechnology - PowerPoint PPT Presentation

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Application of the ReaxFF reactive force fields to nanotechnology

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... buckyball 2.82 2.82b 16_2 nanotube 2.81 2.78b 12_8 nanotube 2.83 2.84b 17_0 nanotube 2.83 2.8b 10_10 nanotube 1.56 1.3a Graphene 0.52 0.8a Diamond 0.00 0.00a ... – PowerPoint PPT presentation

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