Mohamad Yousef Shaheen - Publications - Bridge of Knowledge

Mohamad Yousef Shaheen

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Year 2018

Interatomic potential suitable for the modeling of penta-graphene: Molecular statics/molecular dynamics studies
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- CARBON - Year 2018
We test the potentials available for elemental carbon, with the scope to choose the potential suitable for the modeling of penta-graphene, the latest two dimensional carbon allotrope. By using molecular statics and molecular dynamics simulations we show that there is only one potential e namely the Tersoff-type potential proposed by Erhart and Albe in 2005 e which is able to correctly describe all the important features of penta-graphene....

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