Mechanical properties of carbon, silicon carbide, and boron nitride nanotubes: effect of ionization

被引:10
作者
Petrushenko, Igor K. [1 ]
Petrushenko, Konstantin B. [2 ]
机构
[1] Irkutsk Natl Res Tech Univ, Phys & Tech Inst, Irkutsk 664074, Russia
[2] Russian Acad Sci, Siberian Branch, AE Favorsky Irkutsk Inst Chem, Irkutsk 664033, Russia
来源
MONATSHEFTE FUR CHEMIE | 2015年 / 146卷 / 10期
关键词
Density functional theory; Ionization; Molecular modeling; Nanostructures; Young's modulus; ELASTIC PROPERTIES; YOUNGS MODULUS; FINITE-LENGTH; DIAMETER; GRAPHENE; DFT;
D O I
10.1007/s00706-015-1537-1
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
This paper studies the effect of ionization of finite-length single-walled carbon nanotubes, boron nitride nanotubes, and silicon carbide nanotubes on their mechanical properties. The PBE/SVP calculations show that the ionization affects the elastic properties of studied models. The nanotubes demonstrate little changes in Young's modulus upon ionization; however, the changes in bulk and shear moduli as well as in Poisson's ratio are more pronounced. The introduction of nanotubes into composite materials, which may undergo a radiation exposure, is a promising way to enhance their performance.
引用
收藏
页码:1603 / 1608
页数:6
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