56 citations · 168 across the 19 of their papers we have counts for
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Poly-dodecahedrane: A new allotrope of carbon
Siavash Hasanvandi, Elham Neisi, José M. De Sousa
Carbon is the most important chemical element and the theoretical study of its new allotropes can be of great interest. In this study, regular dodecahedron (dodecahedrane) oligomer…
Applications of residues and poles in solutions of some improper integrals evaluation
José Moreira de Sousa
In Physics, we are generally interested in real solutions involving natural phenomena, where knowledge of real functions of real variables is sufficient to obtain physically releva…
Elasticity of the PCF-graphene-based single-layer and nanotubes performed by state-of-the-art of reactive classical molecular dynamics simulation method
Reza Kalami, Seyed Ahmad Ketabi, José M. De Sousa
A novel two-dimensional carbon allotrope called PCF-graphene has been theoretically proposed. The development of its nanostructured morphology has arrangement a non-aromatic molecu…
Elasticity of Irida-graphene-based and Sun-graphene-based nanotubes: A study by fully atomistic reactive classical molecular dynamics simulations
Reza Kalami, Ramon S. Ferreira, Seyed Ahmad Ketabi +1
In this work, we present a theoretical investigation of the elasticity properties of new exotic carbon allotropes studied recently called Irida-graphene and Sun-graphene. The Irida…
Nanomechanical behavior of pentagraphyne-based single-layer and nanotubes through reactive classical molecular dynamics
J. M. De Sousa, W. H. S. Brandão, W. L. A. P. Silva +3
In a recent theoretical study, a new 2D carbon allotrope called pentagraphyne (PG-yne) was proposed. This allotrope is derived from pentagraphene by introducing acetylenic linkages…
First-Principles and Reactive Molecular Dynamics Study of the Elastic Properties of Pentahexoctite-based Nanotubes
W. H. S. Brandão, J. M. De Sousa, A. L. Aguiar +3
Pentahexoctite (PH) is a pure sp hybridized planar carbon allotrope whose structure consists of a symmetric combination of pentagons, hexagons, and octagons. The proposed PH st…
Exploring the Elastic Properties and Fracture Patterns of Me-Graphene Monolayers and Nanotubes through Reactive Molecular Dynamics Simulations
Marcelo L. Pereira Junior, José. M. De Sousa, Wjefferson H. S. Brandão +3
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…