Thermodynamics of yield in boron nitride nanotubes

被引：62

作者：

Dumitrica, T

Bettinger, HF

Scuseria, GE

Yakobson, BI ^{[1
]}

机构：

[1] Rice Univ, Dept Mech Engn & Mat Sci, Ctr Nanoscale Sci & Technol, Houston, TX 77251 USA

[2] Rice Univ, Dept Chem, Ctr Nanoscale Sci & Technol, Houston, TX 77251 USA

来源：

PHYSICAL REVIEW B | 2003年 / 68卷 / 08期

关键词：

D O I：

10.1103/PhysRevB.68.085412

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

We investigate the atomistic mechanism of yield to mechanical tension in boron nitride nanotubes. The formation energy of the first emerging defect is computed by accurate ab initio calculations. Its susceptibilities to mechanical tension is further evaluated in an economical fashion, when only load-free clusters need to be considered. The obtained thermodynamic threshold is above that of the homologuous carbon system, whose exceptional resistance to mechanical yield is already recognized.

引用

页数：8