  We have investigated through fully atomistic reactive molecular dynamics and
DFT simulations, the mechanical properties and fracture dynamics of novamene, a
new 3D carbon allotrope structure recently proposed. Our results showed that
novamene is an anisotropic structure with relation to tensile deformation.
Although novamente shares some mechanical features with other carbon
allotropes, it also exhibits distinct ones, such as, extensive structural
reconstructions (self-healing effect). Novamene presents ultimate strength (~
100 GPa) values lower than other carbon allotropes, but it has the highest
ultimate strain along the z-direction (~ 22.5%). Although the Young's modulus
(~ 600 GPa) and ultimate strength values are smaller than for other carbon
allotropes, they still outperform other materials, such as for example silicon,
steel or titanium alloys. With relation to the fracture dynamics, novamene is
again anisotropic with the fracture/crack propagation originating from deformed
heptagons and pentagons for x and y directions and broken sp3 bonds connecting
structural planes. Another interesting feature is the formation of multiple and
long carbon linear chains in the final fracture stages.
