Determination of Young's modulus of Boron Nitride nano tubes using energy method

Document Type : Mechanics article

Authors

1 mechanical engineering department, faculty of engineering, Quchan University of Technology, Quchan, Iran

2 Mechanical Engineering Department, Faculty of Engineering, Quchan University of Technology

3 MSc student, Department of Mechanical Engineering, Faculty of Engineering, Quchan University of Technology

Abstract

Considering the increasing use of nanotubes in various industries, it is of great importance to investigate the mechanical properties of these nanostructures. Today, due to the extraordinary properties that nanotubes have shown in various sciences, they have attracted the attention of many scientists. Boron nitride nanotubes are a form of boron nitride that are structurally very similar to carbon nanotubes. Many studies have been done to achieve the mechanical properties of these materials, and scientists have achieved this with different methods. But finding an easy and simple solution has always been the focus of many scientists who are still trying to achieve it. In this study, the molecular mechanics and solid mechanics properties of boron nitride nanotubes have been studied using a mechanical model to predict Young's modulus; and a spatial structure consisting of a unit cell has been used to describe the mechanical response of boron nitride nanotubes to applied loading. According to this assumption, a new unit cell, named mechanical unit cell, is introduced here to make a boron nitride plate or wall of boron nitride nanotubes. The analytical research presented in this research provides a simple method for predicting the Young's modulus of boron nitride nanotubes, and the obtained results are in good agreement with experimental and theoretical data.

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[1] M. Griebel, J. Hamaekers,  “Molecular dynamics simulations of boron-nitride nanotubes embedded in amorphous Si-BN”, Computational materials science, Vol. 39, No. 3, 2007, pp. 502-517.
[2] W.H. Moon, H.J. Hwang, ”Molecular-dynamics simulation of structure and thermal behaviour of boron nitride
nanotubes”, Nanotechnology, Vol. 15, No. 5, 2004, pp. 431-439.
[3] C. Li, T.W. Chou, “Static and dynamic properties of single-walled boron nitride nanotubes”, Journal of
nanoscience and nanotechnology, Vol. 6, No. 1,  2006, pp. 54-60.
[4] D. Vahedi Fakhrabad, N. Shahtahmassebi,  “First-principles calculations of the Young's modulus of double wallboron-nitride nanotubes”, Materials Chemistry and Physics, Vol. 138, No. 2,  2013, pp. 963-966.
[5] L. Jiang, W. Guo, “A molecular mechanics study on size-dependent elastic properties of single-walled boron
nitride nanotubes”, Journal of the Mechanics and Physics of Solids, Vol. 59, No. 6, 2011, pp. 1204-1213.
[6] X. Wei, M.S. Wang, Y. Bando and D. Golberg, “Tensile tests on individual multi‐walled boron nitride nanotubes”, Advanced Materials, Vol. 22, No. 43, 2010, pp. 4895-48999.
[7] M. Griebel, J. Hamaekers and F. Heber, “ A molecular dynamics study on the impact of defects and functionalization on the Young modulus of boron–nitride nanotubes”, Computational Materials Science, Vol. 45, No. 4, 2009, pp. 1097-1103.
[8] H. Wang, N. Ding, X. Zhao and C. Wu, “Defective boron nitride nanotubes: mechanical properties, electronic
structures and failure behaviors”, Journal of Physics D: Applied Physics, Vol. 51, No.12, 2018, pp. 125-133.
[9] A.E. Tanur, J. Wang, A.L Reddy, D.N Lamont, Y.K. Yap and G.C Walker, “Diameter-dependent bending modulus of individual multiwall boron nitride nanotubes”, The Journal of Physical Chemistry B, Vol. 117, No. 1, 2013, pp. 4618-4625.
[10] N.G. Chopra, A.  Zettl, “Measurement of the elastic modulus of a multi-wall boron nitride nanotube”, Solid State Communications, Vol. 105, No. 5, 1998, pp. 297-300.
[11] H.M Ghassemi, C.H. Lee, Y.K. Yap and R.S Yassar, “In situ TEM monitoring of thermal decomposition in individual boron nitride nanotubes”,  JOM, Vol. 62, No. 1, 2010, pp. 69-73.
[12] V.K Choyal, V. Choyal, S. Nevhal, A. Bergaley and S. Kundalwal, “Effect of aspects ratio on Young’s modulus of boron nitride nanotubes: A molecular dynamics study”, Materials Today: Proceedings, Vol. 26, No. 1, 2020, pp. 1-4.
[13] A.P. Suryavanshi, M.F. Yu, J. Wen, C. Tang, Y. Bando, “Elastic modulus and resonance behavior of boron nitride nanotubes”, Applied Physics Letters Vol. 84, NO.1, 2004, pp. 2527-2529.
[14] L. Boldrin, F. Scarpa, R. Chowdhury and S. Adhikari, “Effective mechanical properties of hexagonal boron nitride nanosheets”, Nanotechnology, Vol. 22, No. 50, 2011, pp. 505-512.
[15] V. Verma, V.K. Jindal and K. Dharamvir, “Elastic moduli of a boron nitride nanotube”, Nanotechnology,
Vol. 18, No. 1, 2007, pp. 435-442.
[16] T. Natsuki, J. Natsuki, “Prediction of mechanical properties for hexagonal boron nitride nanosheets using
molecular mechanics model”, Applied Physics A, Vol. 123, No. 4, 2017, pp. 1-6.
[17] A. Fereidoon, M. Mostafaei, M.D. Ganji and F. Memarian, “Atomistic simulations on the influence of diameter,number of walls, interlayer distance and temperature on the mechanical properties of BNNTs”, Superlattices and Microstructures, Vol. 86, No. 1, 2015, pp. 126-133.
[18] E. Hernandez, C. Goze, P. Bernier, A. Rubio, “Elastic properties of single-wall nanotubes”, Applied Physics A, Vol. 68, No.3, 1999, pp. 287-292.
[19] M. Santosh, P.K. Maiti and A. Sood, “Elastic properties of boron nitride nanotubes and their comparison with carbon nanotubes”, Journal of nanoscience and nanotechnology, Vol. 9, No. 9, 2009, pp. 5425-5430.
[20] H. Mousavi, R. Moradian, “Metallic and semimetallic properties of doped graphene and boron
nitride planes”, Solid State Communications, Vol. 153, No. 1, 2013, pp. 17-22.
[21] M. Mir, M. Tahani and B. Hassani, “Analytical prediction of Young's modulus of carbon nanotubes using a
variational method”, Applied Mathematical Modelling, Vol. 45, No. 1, 2017, pp. 1031-1043.