| Full text | |
| Author(s): |
Pereira Junior, Marcelo L.
;
De Sousa, Jose. M.
;
Brandao, Wjefferson H. S.
;
Galvao, Douglas. S.
;
Fonseca, Alexandre F.
;
Ribeiro Junior, Luiz A.
Total Authors: 6
|
| Document type: | Journal article |
| Source: | Chemical Physics Letters; v. 830, p. 6-pg., 2023-09-08. |
| Abstract | |
Me-graphene (MeG) is a novel two-dimensional (2D) carbon allotrope. Due to its attractive electronic and structural properties, it is important to study the mechanical behavior of MeG in its monolayer and nanotube topologies. In this work, we conducted fully atomistic reactive molecular dynamics simulations using the Tersoff force field to investigate their mechanical properties and fracture patterns. Our results indicate that Young's modulus of MeG monolayers is about 414 GPa and in the range of 421-483 GPa for the nanotubes investigated here. MeG monolayers and MeGNTs directly undergo from elastic to complete fracture under critical strain without a plastic regime. (AU) | |
| FAPESP's process: | 13/08293-7 - CCES - Center for Computational Engineering and Sciences |
| Grantee: | Munir Salomao Skaf |
| Support Opportunities: | Research Grants - Research, Innovation and Dissemination Centers - RIDC |
| FAPESP's process: | 20/02044-9 - Modeling and simulation of physical properties of materials |
| Grantee: | Alexandre Fontes da Fonseca |
| Support Opportunities: | Regular Research Grants |