Graphene mechanics: I. Efficient first principles based Morse potential
2014 ◽
Vol 16
(24)
◽
pp. 12591-12598
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Keyword(s):
We present a computationally efficient pairwise potential for use in molecular dynamics simulations of large graphene or carbon nanotube systems, in particular those under mechanical deformation, and also for mixed systems including biomolecules.
2003 ◽
Vol 69
(9)
◽
pp. 1332-1336
2014 ◽
Vol 118
(17)
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pp. 8944-8951
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2014 ◽
Vol 16
(39)
◽
pp. 21135-21143
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2009 ◽
Vol 60-61
◽
pp. 315-319
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2017 ◽
Vol 53
(2)
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pp. 1310-1317
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2014 ◽
Vol 140
◽
pp. 410-417
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