| Texto completo | |
| Autor(es): |
Pereira Junior, Marcelo L.
;
De Sousa, Jose. M.
;
Brandao, Wjefferson H. S.
;
Galvao, Douglas. S.
;
Fonseca, Alexandre F.
;
Ribeiro Junior, Luiz A.
Número total de Autores: 6
|
| Tipo de documento: | Artigo Científico |
| Fonte: | Chemical Physics Letters; v. 830, p. 6-pg., 2023-09-08. |
| Resumo | |
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) | |
| Processo FAPESP: | 13/08293-7 - CECC - Centro de Engenharia e Ciências Computacionais |
| Beneficiário: | Munir Salomao Skaf |
| Modalidade de apoio: | Auxílio à Pesquisa - Centros de Pesquisa, Inovação e Difusão - CEPIDs |
| Processo FAPESP: | 20/02044-9 - Simulação e modelagem de propriedades físicas de materiais |
| Beneficiário: | Alexandre Fontes da Fonseca |
| Modalidade de apoio: | Auxílio à Pesquisa - Regular |