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Title: Influence of oriented topological defects on the mechanical properties of carbon nanotube heterojunctions

The mechanical properties of finite-length (5,0)/(8,0) single-walled carbon nanotube (SWCNT) heterojunctions with manipulated topological defects are investigated using molecular dynamics simulation calculations. The results show that the mechanical properties and deformation behavior of SWCNT heterojunctions are mainly affected not only by the diameter of the thinner segment of the SWCNT heterojunction but also by the orientation of the heptagon-heptagon (7-7) pair in the junction region. Moreover, the orientation of the 7-7 pair strongly affects those properties in the compression loading than those in tensile loading. Finally, it is found that the location of buckling deformation in the heterojunctions is dependent on the orientation of the 7-7 pair in the compression.
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  1. National Center for High-Performance Computing
  2. Ames Laboratory
Publication Date:
OSTI Identifier:
Report Number(s):
IS-J 8180
Journal ID: ISSN 0021-8979
DOE Contract Number:
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Applied Physics; Journal Volume: 114
American Institute of Physics (AIP)
Research Org:
Ames Laboratory (AMES), Ames, IA (United States)
Sponsoring Org:
USDOE Office of Science (SC)
Country of Publication:
United States
36 MATERIALS SCIENCE Nano-structures