Elastic moduli of a boron nitride nanotube

Abstract

The elastic properties of boron nitride nanotubes have been calculated using the Tersoff–Brenner potential which is a bond order potential used successfully previously for carbon nanotubes. In the present calculation, the same form of potential is used with adjusted parameters for hexagonal boron nitride. The Young’s modulus and shear modulus for single-walled armchair and zigzag tubes of different radii have been calculated. The effects of tube diameter are investigated. The computational results show the variation of Young’s modulus and shear modulus of boron nitride nanotubes with nanotube diameter. The results have been compared with available data, experimental as well as calculated.

Phonon interference in crystalline and amorphous confined nanoscopic films

“…The Al-Al interactions are modeled by the embedded-atommethod (EAM) potential, 31 which predicts a FCC lattice constant of 4.015 Å for Al. The Tersoff potential with the parameters developed by Verma et al 32 and the Lennard-Jones (LJ) potential with parameters e ¼ 5.0 meV and r ¼ 3.35 Å (Ref. 33) are used for intralayer and interlayer interactions in h-BN, respectively.…”

Super stretchable hexagonal boron nitride Kirigami

“…The slope of the linear part of the curves gives the Young's modulus, and the ultimate strength and strain were taken as the maximum stress and strain before the onset of failure. Note that the equivalent Young's modulus of a pristine 2D h-BN system (within Kirigami) scales with its effective thickness, which in this work is 0.333 nm [40].…”

“…The Tersoff potential [32][33][34] was adopted for the interactions between the boron and nitrogen atoms, due to its success in previous studies of BN nanotubes and nanosheets [35][36][37][38]. Several sets of Tersoff or Tersoff-like potential parameters 4 have recently been developed for interactions between boron and nitrogen [39][40][41][42][43][44][45][46]. Sekkal et al [39] and Verma et al [40] obtained parameters to describe cubic BN and boron nitride nanotubes (BNNTs) respectively by small modifications of those for carbon.…”

“…Several sets of Tersoff or Tersoff-like potential parameters 4 have recently been developed for interactions between boron and nitrogen [39][40][41][42][43][44][45][46]. Sekkal et al [39] and Verma et al [40] obtained parameters to describe cubic BN and boron nitride nanotubes (BNNTs) respectively by small modifications of those for carbon. The boron nitride was treated as a one-component system.…”

Application of the Continuum-Lattice Thermodynamics

“…Some of the potential parameters were adjusted from the original ones provided by Brenner (1990) to fit well the bond length and the cohesive energy of a boron nitride(BN) sheet given in the literature (Moon & Hwang, 2004;Verma et al, 2007). These are listed in Table 2.…”