title: Mechanical properties and defect sensitivity of diamond nanothreads.
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(-28) N·m(2)). The 1D nature of the nanothread results in a tenacity of 4.1 × 10(7) 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.
authors.affiliation: Laboratory of Nanotechnology in Civil Engineering, Department of Civil and Environmental Engineering, Northeastern University , Boston, Massachusetts 02115, United States.
authors.forename: Ruth E
authors.initials: RE
authors.lastname: Roman
authors.forename: Kenny
authors.initials: K
authors.lastname: Kwan
authors.forename: Steven W
authors.initials: SW
authors.lastname: Cranford
keywords: Carbon allotropes; Stone−Wales defects; diamond nanothreads; mechanical properties; molecular dynamics