title: Dynamic topology of fullerene coalescence.
abstract: Atomic rearrangements leading to the coalescence of fullerene cages are revealed by topological analysis. Paths found for nanotubes and C(60) consist exclusively of Stone-Wales bond rotations. Computed intermediate states show gradual evolution from separate clusters to completely fused coherent units. Molecular dynamics simulations follow the predicted routes, overcome the nucleation barrier, and reach a final annealed state. While the overall behavior resembles macroscopic sintering, the nanoscale neck undergoes quantized changes in diameter and crystalline order.
authors: Center for Nanoscale Science and Technology, Rice University, Houston, TX 77005, USA.
authors: Yufeng
authors: Y
authors: Zhao
authors: Boris I
authors: BI
authors: Yakobson
authors: Richard E
authors: RE
authors: Smalley