Publicação · Artigo Nº 40

Exploring the elastic properties and fracture patterns of Me-graphene monolayers and nanotubes through reactive molecular dynamics simulations

Marcelo L. Pereira Júnior · José M. de Sousa · Wjefferson H. S. Brandão · Douglas S. Galvão · Alexandre F. Fonseca · Luiz A. Ribeiro Júnior

Prof. Marcelo Lopes Pereira JuniorDouglas Soares GalvãoAlexandre Fontes da FonsecaLuiz Antonio Ribeiro Junior

Resumo

• Mechanical properties of MeG were investigated using fully atomistic MD simulations. • Young’s modulus of MeGM was found to be about 414 GPa at room temperature. • Young’s modulus of MeGNT was in the range of 421–483 GPa at room temperature. • MeGNTs’ properties align with other 2D all-carbon allotropes. • Results of this study provide valuable insight into the mechanical properties of MeG. ARTICLE INFO

CHEMICAL PHYSICS LETTERS, 2023 · Fator de impacto 2,9.

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DOI 10.1016/j.cplett.2023.140812