期刊
NANO LETTERS
卷 15, 期 3, 页码 1585-1590出版社
AMER CHEMICAL SOC
DOI: 10.1021/nl5041012
关键词
Carbon allotropes; diamond nanothreads; mechanical properties; Stone-Wales defects; molecular dynamics
类别
资金
- NEU's CEE Department
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 x 10(-28) N.m(2)). The 1D nature of the nanothread results in a tenacity of 4.1 x 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.
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