3 research outputs found
Exploring the Elastic Properties and Fracture Patterns of Me-Graphene Monolayers and Nanotubes through Reactive Molecular Dynamics Simulations
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.Comment: 10 pages, 01 table, and 05 figure