Fusion of ultra thin carbon nanotubes: tight-binding molecular dynamics simulations

被引：4

作者：

Kawai, T

Miyamoto, Y

Sugino, O

Koga, Y

机构：

[1] FCT, Cent Res Dept, Japan Fine Ceram Ctr, Tsukuba, Ibaraki 3058565, Japan

[2] NEC Corp Ltd, Fundamental Res Labs, Tsukuba, Ibaraki 3058501, Japan

[3] Natl Inst Adv Ind Sci & Technol, Res Ctr Adv Carbon Mat, Tsukuba, Ibaraki 3058565, Japan

来源：

PHYSICA B-CONDENSED MATTER | 2002年 / 323卷 / 1-4期

关键词：

carbon nanotubes; coalescence; tight-binding molecular dynamics;

D O I：

10.1016/S0921-4526(02)00897-9

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

We investigated the reactivity of ultra thin carbon nanotubes (UTCNTs) with diameter <0.4 nm, which were synthesized in experiment. Tight-binding molecular dynamics (TBMD) simulations showed that isolated UTCNTs were thermally stable up to about 3000 K. By performing first principles calculations and TBMD simulations, we found that all pairs of UTCNTs coalesced into a single tube, without necessitating the presence of atomic defects. (C) 2002 Elsevier Science B.V. All rights reserved.

引用

页码：190 / 192

页数：3

共 12 条

[1] GROUND-STATE OF THE ELECTRON-GAS BY A STOCHASTIC METHOD [J].