Martensitic Transformations of Carbon Polytypes


Martensitic Transformations of Carbon Polytypes

Evgeny A. Belenkov, Vladimir A. Greshnyakov

Abstract. In this paper, the mutual phase transformations of graphite and diamond polytypes were investigated by the density functional theory methods and the atom-atom potential. It was found out that a potential barrier with a height of 6.3 J/mol must be overcome to shift the graphene layers in graphite, and for the shift of the molecular layer in diamond, the potential barrier is 216 kJ/mol. Mutual structural transformations of almost any polytypes are possible due to random shifts of separate layers. Shift transformations can be the reason for the formation of crystals with random packing of layers and the impossibility of forming ideal polytypes.

Phase Transition, Computer Simulation, Polytypism, Graphite, Diamond

Published online 11/15/2018, 4 pages
Copyright © 2018 by the author(s)
Published under license by Materials Research Forum LLC., Millersville PA, USA

Citation: Evgeny A. Belenkov, Vladimir A. Greshnyakov, ‘Martensitic Transformations of Carbon Polytypes’, Materials Research Proceedings, Vol. 9, pp 144-147, 2018


The article was published as article 27 of the book Shape Memory Alloys

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