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Influences of vacancy defects on tensile failure of open-tip carbon nanocones

Department of Aircraft Engineering, Air Force Institute of Technology, Kaohsiung 820, Taiwan

Topical Section: Nanomaterials, nanoscience and nanotechnology

This paper studied influences of vacancy defects on tensile failure of open-tip carbon nanocones (CNCs) by molecular dynamics simulations. Carbon nanocones, perfect and containing mono-vacancy defects (including CNCs with the upper-vacancy, the middle-vacancy, and the lower-vacancy), were simulated in order to understand the influence of the presence and location of the vacancy defects on the CNCs tensile behavior. Some findings were obtained. It was found that the upper-vacancy CNC has the greatest degradation in the failure strain and the failure load among the three vacancy-defect CNCs, and the lower-vacancy CNC has the smallest degradation in the failure strain and the failure load. Degradation in the failure load is larger than degradation in the failure strain. Moreover, no apparent yielding (large elongation) was observed before failure of the studied CNCs. All the vacancy-defect CNCs were broken near the top end rather than near the vacancy location of the CNCs. The behaviors of the vacancy-location-dependent degradation and the vacancy-location-independent failure (namely, the near top-end failure) of the vacancy-defect CNCs are quite different from those of vacancy-defect CNTs (carbon nanotubes). These particular behaviors are ascribed to non-uniform diameters along the cone axes of the CNCs.
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Keywords tensile behavior; failure modes; failure strains; vacancy defects; molecular dynamics

Citation: Ming-Liang Liao. Influences of vacancy defects on tensile failure of open-tip carbon nanocones. AIMS Materials Science, 2017, 4(1): 178-193. doi: 10.3934/matersci.2017.1.178


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