title: Thermal buckling behavior of defective CNTs under pre-load: A molecular dynamics study.
abstract: Current study is concentrated on the extraordinary properties of defective carbon nanotubes (CNTs). The role of vacancy defects in thermal buckling response of precompressed CNTs is explored via molecular dynamics (MD) simulations. Defective CNTs are initially compressed at a certain ratio of their critical buckling strain and then undergo a uniform temperature rise. Comprehensive study is implemented on both armchair and zigzag CNTs with different vacancy defects including monovacancy, symmetric bivacancy and asymmetric bivacancy. The results reveal that defects have a pronounced impact on the buckling behavior of CNTs; interestingly, defective CNTs under compressive pre-load show higher resistance to thermal buckling than pristine ones. In the following, the buckling response of defective CNTs is shown to be dependent on the vacancy defects, location of defects and chirality.
authors.affiliation: Mechanical Engineering Department, Shahrekord University, Shahrekord, Iran.
authors.forename: Fahimeh
authors.initials: F
authors.lastname: Mehralian
authors.affiliation: Faculty of Engineering, Shahrekord University, Shahrekord, Iran. Electronic address: tadi@eng.sku.ac.ir.
authors.forename: Yaghoub
authors.initials: Y
authors.lastname: Tadi Beni
authors.affiliation: Faculty of Engineering, Shahrekord University, Shahrekord, Iran. Electronic address: y.kiani@eng.sku.ac.ir.
authors.forename: Yaser
authors.initials: Y
authors.lastname: Kiani
mesh_terms: D056004:Molecular Dynamics Simulation; D037742:Nanotubes, Carbon / Q000737:chemistry*; D013314:Stress, Mechanical; D013696:Temperature
chemical_list: D037742:Nanotubes, Carbon
keywords: Defective CNTs; Molecular dynamics simulations; Thermomechanical buckling; Vacancy defects