Investigation the effect of diameter and temperature on mechanical properties of single-walled boron nitride nanotubes by molecular dynamics simulation

Subject Areas : Creep, Fatigue and Fracture Mechanic

Mohammad reza Mostafaei ¹ , Abdolhosein Fereidoon ² , Masoud Darvish ganji ³

1 - دانشجو
2 - استاد
3 - دانشجو

Received: 2015-08-07 Accepted : 2015-08-16 Published : 2012-11-21

Keywords: Mechanical Properties, Molecular dynamics simulation, BNNTs, Young's modulus,

Abstract :

The molecular dynamics (MD) simulation is used to calculate the mechanical properties of single-walled BNNTs (SWBNNT). The effects of diameter, chirality and temperature on the mechanical properties of respected systems have been investigated. The results showed that, zigzag BNNTs are stiffer than armchair ones with nearly the same diameter. Also the Young’s modulus of both type of SWBNNTs increase when the tube diameter increases till the specific diameter and then decrease slightly. We found that diameter changes have no significant influence on the failure stress and strain of zigzag BNNTs. In addition, the results confirmed that all measured mechanical properties decrease with increasing temperature. Our simulation findings afford not only a molecular level understanding of the BNNTs but also may be instructive to mechanical engineers and scientists who attempt to develop effective mechanical properties.