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The Buckling Behavior of Boron Nitride Nanotubes under Bending: An Atomistic Study

The Buckling Behavior of Boron Nitride Nanotubes under Bending: An Atomistic Study
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摘要 In this paper, the buckling behavior of zigzag BN (Boron Nitride) nanotubes under bending is studied through molecular dynamics finite element method with Tersoff potential. The tube with namely (15, 0) BN zigzag tube is investigated. The critical bending buckling angle, moment and curvature are studied and examined with respect to the tube length-diameter ratios from 5 to 30. Effects of a SW (Stone-Wales) defect in the middle tube on the bending behavior are also discussed. The results show that the tube length affects significantly the bending behavior of these tubes. All tubes exhibit brittle fracture under bending. The buckling takes place at the middle in the compressive side of these tubes. These results are important information on the buckling behaviors of pristine and Stone-Wales BN nanotubes, which will be useful for their future applications.
出处 《Journal of Environmental Science and Engineering(A)》 2017年第6期308-312,共5页 环境科学与工程(A)
关键词 Atomistic simulation BENDING boron nitride nanotube buckling. 氮化硼纳米管 弯曲屈曲 屈曲性能 Tersoff势 屈曲行为 弯曲性能 分子动力学 有限元法
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