Size effects in mechanical properties of boron nitride nanoribbons
- PDF / 345,571 Bytes
- 6 Pages / 595 x 841 pts Page_size
- 20 Downloads / 193 Views
DOI 10.1007/s12206-014-0930-8
Size effects in mechanical properties of boron nitride nanoribbons† Minh-Quy Le1,2,* 1
Department of Mechanics of Materials and Structures, School of Mechanical Engineering, Hanoi University of Science and Technology, No. 1, Dai Co Viet Road, Hanoi, Viet Nam 2 International Institute for Computational Science & Engineering, Hanoi University of Science and Technology, No. 1, Dai Co Viet Road, Hanoi, Viet Nam (Manuscript Received March 26, 2014; Revised June 3, 2014; Accepted June 19, 2014)
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
Abstract Size effects in mechanical properties are investigated through molecular dynamics simulations with Tersoff-like potential for boron nitride nanoribbons (BNNRs) in the armchair and zigzag directions under uniaxial tension. It is found that tensile properties of rectangular BNNRs of fixed lengths are significantly affected by the length-width ratios, while these aspect ratios are less sensitive to tensile properties of rectangular BNNRs of fixed widths. Size effects are minor in square boron nitride nanosheets. For zigzag BNNRs of fixed length, Young’s modulus, fracture stress and fracture strain increase when decreasing the width. For armchair BNNRs of fixed length, Young’s modulus and fracture strain increase, while fracture stress varies slightly when decreasing the width. Young’s modulus of zigzag BNNRs decreases from 299 N/m for a very narrow sheet to 258 N/m for square sheets, while this mechanical property increases from 231 N/m to 250 N/m for armchair BNNRs. Fracture stress of zigzag BNNRs decreases from 44.4 N/m for a very narrow sheet to 35.6 N/m for square sheet. Keywords: Mechanical properties; Molecular dynamics simulations; Boron nitride nanoribbons ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
1. Introduction Two-dimensional (2D) hexagonal boron-nitride (BN) sheets, which exhibit a honeycomb lattice structure and analog of graphene, have been extensively investigated due to their wide band gap, deep ultraviolet light–emission, high thermal conductivity, and remarkable mechanical properties [1-5]. Such superior properties make BN sheets a promising lowdimensional material in many potential applications, especially in optoelectronic nanodevices and information storage technology. While graphene is characterized as a zero band gap semimetal, see. e.g. Refs. [6, 7], BN sheets exhibit a wide band-gap semiconductor with ionic bonding [8, 9]. In this respect, BN sheet is complementary to graphene [3, 8, 9], and hence is a good candidate to form hybrid structures w
Data Loading...
