Mechanical Properties and Defect Sensitivity of Diamond
Nanothreads
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Abstract
One
of the newest carbon allotropes synthesized are diamond nanothreads.
Using molecular dynamics, we determine the stiffness (850 GPa), strength
(26.4 nN), extension (14.9%), and bending rigidity (5.35 × 10<sup>–28</sup> N·m<sup>2</sup>). The 1D nature of the nanothread
results in a tenacity of 4.1 × 10<sup>7</sup> N·m/kg, exceeding
nanotubes and graphene. As the thread consists of repeating Stone–Wales
defects, through steered molecular dynamics (SMD), we explore the
effect of defect density on the strength, stiffness, and extension
of the system
