By a News Reporter-Staff News Editor at Physics Week -- Researchers detail new data in Fullerenes. According to news originating from Daejeon, South Korea, by VerticalNews correspondents, research stated, "We report the results of action-derived molecular dynamics simulations for the migration and coalescence processes of monovacancies in graphene and carbon nanotubes with different chiralities. In carbon nanotubes, the migration pathways and barriers of a monovacancy depend on the tube chirality, while there is no preferential pathway in graphene due to the lattice symmetry and the absence of the curvature effect."
Our news journalists obtained a quote from the research from the Korea Advanced Institute of Science and Technology (KAIST), "The probable pathway changes from the axial to circumferential direction as the chirality varies from armchair to zigzag. The chirality dependence is attributed to the preferential orientation of the reconstructed bond formed around each vacancy site. It is energetically more favourable for two monovacancies to coalesce into a divacancy via alternative movements rather than simultaneous movements. The energy barriers for coalescence are generally determined by the migration barrier for the monovacancy, although there are some variations due to interactions between two diffusing vacancies. In graphene and armchair nanotubes, two monovacancies prefer to migrate along different zigzag atomic chains rather than a single atomic chain connecting these vacancies."
According to the news editors, the research concluded: "On the other hand, in zigzag tubes, the energy barrier for coalescence increases significantly unless monovacancies lie on the same circumference."
For more information on this research see: Action-derived molecular dynamics simulations for the migration and coalescence of vacancies in graphene and carbon nanotubes. Journal of Physics Condensed Matter, 2014;26(11):115303.
The news correspondents report that additional information may be obtained from A.T. Lee, Dept. of Physics, Korea Advanced Institute of Science and Technology, Daejeon 305-701, South Korea. Additional authors for this research include B. Ryu, I.H. Lee and K.J Chang.
Keywords for this news article include: Asia, Daejeon, Physics, Fullerenes, South Korea, Nanotechnology, Carbon Nanotubes, Molecular Dynamics, Emerging Technologies.
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