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 𝑠𝑝2- and 𝑠𝑝3- 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...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
Gdańsk University of Technology
2020-10-01
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| Series: | TASK Quarterly |
| Subjects: | |
| Online Access: | https://journal.mostwiedzy.pl/TASKQuarterly/article/view/1655 |