APPLICATION OF THE NEURAL NETWORKS FOR DEVELOPING NEW PARAMETERIZATION OF THE TERSOFF POTENTIAL FOR CARBON

Penta-graphene (PG) is a 2D carbon allotrope composed of a layer of pentagons having 2- and 3- bonded carbon atoms. A study carried out in 2018 has shown that the parameterization of the Tersoff potential proposed in 2005 by Ehrhart and Able (T05 potential) performs better than other potentials a...

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Hauptverfasser:	ANTHONY CHUKWUEMEKA NWACHUKWU, SZYMON WINCZEWSKI
Format:	Artigo
Sprache:	Inglês
Veröffentlicht:	Gdańsk University of Technology 2020-10-01
Schriftenreihe:	TASK Quarterly
Schlagworte:	penta-graphene mechanical properties molecular dynamics
Online-Zugang:	https://journal.mostwiedzy.pl/TASKQuarterly/article/view/1655
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