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Buckling behavior of boron nitride nanotubes under combined axial compression and torsion is presented by using molecular dynamics simulation. In order to study the effect of helicity and nanotube size, three groups of nanotubes are considered. The first group is a pair of boron nitride nanotubes with a similar geometry but different helicities, the second group includes three armchair naotubes having equal length but different radii, and three armchair (8, 8)-nanotubes with different lengths form the third group. The simulation is conducted by applying Nose-Hoover thermostat in a temperature range from 50 K to 1200 K. Based on the interatomic interactions given by Tersoff-type potentials, the molecular dynamics method is used to study variations of atomic interaction in initial linear deformation and postbuckling stages with various load-proportional parameters, and to determine the interactive buckling loads relationship. By comparing typical buckling modes under different loads, it is found that the boron nitride nanotube experiences complex micro-deformation processes, resulting in different variations of atomic interaction and strain energies. When the axial compressive load is relatively large, the change of atomic interaction for boron nitride nanotubes under combined loads is similar to that found under the pure axial compression. The onset of buckling leads to the abrupt releasing of strain energy. As the torsional load is relatively large, the nanotube shows torsion-like buckling behavior, no obvious reduction of strain energy is observed after the critical point. The present simulation results show that both the armchair and zigzag nanotubes exhibit nonlinear interactive buckling load relationships. Rise in temperature results in the decrease of interactive buckling load, and the effect of temperature varies with the value of load-proportional parameter. That is, the axial compressive load is relatively large, and the effect of temperature is more significant. It is found that the buckling behavior in the case of combined loading is strongly size dependent. The interactive critical axial and shear stress decrease as nanotube radius or length increases. The studies also reveal that under both simple loading and combined load condition, carbon nanotubes possess higher buckling loads than those of boron nitride nanotubes with a similar geometry, which provides valuable guidance for forming carbon and boron nitride hybrid nanotubes as well as coaxial nanotubes with superior mechanical properties.
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Keywords:
- boron nitride nanotubes /
- combined loads /
- load-proportional parameter /
- interactive buckling loads relationship
[1] Rubio A, Corkill J L, Cohen M L 1994 Phys. Rev. B 49 5081
[2] Chopra N G, Luyken R J, Cherrey K, Crespi V H, Cohen M L, Louie S G, Zettl A 1995 Science 269 966
[3] Garel J, Leven I, Zhi C, Nagapriya K S, Popovitz-Biro R, Golberg D, Bando Y, Hod O, Joselevich E 2012 Nano Lett. 12 6347
[4] Ansari R, Ajori S 2014 Phys. Lett. A 378 2876
[5] Blase X, Rubio A, Louie S G 1994 Europhys. Lett. 28 335
[6] Liao M L, Wang Y C, Ju S P, Lien T W, Huang L F 2011 J. Appl. Phys. 110 054310
[7] Wang J, Li H, Li Y, Yu H, He Y, Song X 2011 Physica E 44 286
[8] Wei X, Wang M S, Bando Y, Golberg D 2010 Adv. Mater. 22 4895
[9] Wei R, Tian Y, Eichhorn V, Fatikow S 2012 International Conference on Manipulation, Manufacturing and Measurement on the Nanoscale (3M-NANO) Xi'an, China August 29-September 1, 2012 p301
[10] Ajori S, Ansari R 2014 Curr. Appl. Phys. 14 1072
[11] Xiong Q L, Tian X G 2015 AIP Adv. 5 107215
[12] Ali S, Salman E N, Amin H S, Abolfazl Z S 2012 Phys. Status Solidi A 209 1266
[13] Salman E N, Ali S 2013 Physica E 50 29
[14] Cong Z, Lee S 2018 Compos. Struct. 194 80
[15] Badjian H, Setoodeh A R 2017 Physica B 507 156
[16] Yan H, Tang Y, Su J 2014 Appl. Phys. A 114 331
[17] Plimpton S J 1995 J. Comput. Phys. 117 1
[18] Albe K, Möller W, Heinig K H 1997 Radiat. Eff. Defects in Solids 141 85
[19] Albe K, Möller W 1998 Comput. Mater. Sci. 10 111
[20] Tersoff J 1989 Phys. Rev. B 39 5566
[21] Li T, Tang Z, Huang Z, Yu J 2017 Physica E 85 137
[22] Zhang J, Peng X 2017 Mater. Chem. Phys. 198 250
[23] Hoover W G 1985 Phys. Rev. A 31 1695
[24] Ansari R, Ajori S 2015 Appl. Phys. A 120 1399
[25] Jing L, Tay R Y, Li H, Tsang S H, Huang J, Tan D, Zhang B, Teo E H T, Tok A L Y 2016 Nanoscale 8 11114
[26] Chen Y, Zou J, Campbell S J, Le Caer G L 2004 Appl. Phys. Lett. 84 2430
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[1] Rubio A, Corkill J L, Cohen M L 1994 Phys. Rev. B 49 5081
[2] Chopra N G, Luyken R J, Cherrey K, Crespi V H, Cohen M L, Louie S G, Zettl A 1995 Science 269 966
[3] Garel J, Leven I, Zhi C, Nagapriya K S, Popovitz-Biro R, Golberg D, Bando Y, Hod O, Joselevich E 2012 Nano Lett. 12 6347
[4] Ansari R, Ajori S 2014 Phys. Lett. A 378 2876
[5] Blase X, Rubio A, Louie S G 1994 Europhys. Lett. 28 335
[6] Liao M L, Wang Y C, Ju S P, Lien T W, Huang L F 2011 J. Appl. Phys. 110 054310
[7] Wang J, Li H, Li Y, Yu H, He Y, Song X 2011 Physica E 44 286
[8] Wei X, Wang M S, Bando Y, Golberg D 2010 Adv. Mater. 22 4895
[9] Wei R, Tian Y, Eichhorn V, Fatikow S 2012 International Conference on Manipulation, Manufacturing and Measurement on the Nanoscale (3M-NANO) Xi'an, China August 29-September 1, 2012 p301
[10] Ajori S, Ansari R 2014 Curr. Appl. Phys. 14 1072
[11] Xiong Q L, Tian X G 2015 AIP Adv. 5 107215
[12] Ali S, Salman E N, Amin H S, Abolfazl Z S 2012 Phys. Status Solidi A 209 1266
[13] Salman E N, Ali S 2013 Physica E 50 29
[14] Cong Z, Lee S 2018 Compos. Struct. 194 80
[15] Badjian H, Setoodeh A R 2017 Physica B 507 156
[16] Yan H, Tang Y, Su J 2014 Appl. Phys. A 114 331
[17] Plimpton S J 1995 J. Comput. Phys. 117 1
[18] Albe K, Möller W, Heinig K H 1997 Radiat. Eff. Defects in Solids 141 85
[19] Albe K, Möller W 1998 Comput. Mater. Sci. 10 111
[20] Tersoff J 1989 Phys. Rev. B 39 5566
[21] Li T, Tang Z, Huang Z, Yu J 2017 Physica E 85 137
[22] Zhang J, Peng X 2017 Mater. Chem. Phys. 198 250
[23] Hoover W G 1985 Phys. Rev. A 31 1695
[24] Ansari R, Ajori S 2015 Appl. Phys. A 120 1399
[25] Jing L, Tay R Y, Li H, Tsang S H, Huang J, Tan D, Zhang B, Teo E H T, Tok A L Y 2016 Nanoscale 8 11114
[26] Chen Y, Zou J, Campbell S J, Le Caer G L 2004 Appl. Phys. Lett. 84 2430
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