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Summary

Description
English: Animation of the pent-first nucleation of: (i) a carbon nanotube cap on an iron catalyst particle[1][2], or (ii) a faceted pentacone in supercooled liquid carbon[3][4].
Date
Source Own work
Author P. Fraundorf

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  1. Y. Ohta et al. (2009) "Quantum chemical molecular dynamics simulation of single-walled carbon nanotube cap nucleation on an iron particle", American Chemical Society Nano 3:11, 3413-3420.
  2. A. J. Page, F. Ding, S. Irle, and K. Morokuma (2015) "Insights into carbon nanotube and graphene formation mechanisms from molecular simulations: a review", Reports on Progress in Physics 78, 036501 (38 pages).
  3. C. Silva, P. Chrostoski & P. Fraundorf (2021) "DFT study of “unlayered-graphene solid” formation, in liquid carbon droplets at low pressures", MRS Advances 6:203-208 (Materials Research Society, Warrendale, PA) pdf.
  4. Chathuri Silva, "COMPUTATIONAL STUDIES OF CARBON NANOCLUSTER SOLIDIFICATION" (2021) is the topic of a dissertation in partial fulfillment of the requirements for a Ph.D. in Physics and Astronomy at UM-StL and MST (UM-Rolla).

Captions

Animating the pent-first nucleation of various graphene structures.

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4 January 2022

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