Dynamic topology of fullerene coalescence

被引：91

作者：

Zhao, YF ^{[1
]}

Yakobson, BI ^{[1
]}

Smalley, RE ^{[1
]}

机构：

[1] Rice Univ, Ctr Nanoscale Sci & Technol, Houston, TX 77005 USA

来源：

PHYSICAL REVIEW LETTERS | 2002年 / 88卷 / 18期

关键词：

D O I：

10.1103/PhysRevLett.88.185501

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

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.

引用

页码：1855011 / 1855014

页数：4

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