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Volumn 59, Issue 6, 2011, Pages 1204-1213

A molecular mechanics study on size-dependent elastic properties of single-walled boron nitride nanotubes

Author keywords

Boron nitride nanotubes; Composite nanotubes; Elastic properties; Molecular mechanics; Multiscale

Indexed keywords

AB INITIO CALCULATIONS; ANALYTICAL MODEL; BORON NITRIDE NANOTUBES; CLOSED-FORM EXPRESSION; COMPOSITE NANOTUBES; ELASTIC PROPERTIES; HELIX ANGLES; MULTISCALES; NANOTUBE DIAMETERS; SINGLE-WALLED BORON NITRIDE NANOTUBES; SURFACE SHEAR;

EID: 79955610389     PISSN: 00225096     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jmps.2011.03.008     Document Type: Article
Times cited : (91)

References (40)
  • 1
    • 0043029928 scopus 로고    scopus 로고
    • Comparative theoretical study of single-wall carbon and boron-nitride nanotubes
    • B. Akdim, R. Pachter, X.F. Duan, and W.W. Adams Comparative theoretical study of single-wall carbon and boron-nitride nanotubes Phys. Rev. B 67 2003 245404
    • (2003) Phys. Rev. B , vol.67 , pp. 245404
    • Akdim, B.1    Pachter, R.2    Duan, X.F.3    Adams, W.W.4
  • 2
    • 3042988525 scopus 로고
    • MM2. A hydrocarbon force field utilizing V1 and V2 torsional terms
    • N.L. Allinger MM2. A hydrocarbon force field utilizing V1 and V2 torsional terms J. Am. Chem. Soc. 99 1977 8127 8134
    • (1977) J. Am. Chem. Soc. , vol.99 , pp. 8127-8134
    • Allinger, N.L.1
  • 3
    • 34547702682 scopus 로고    scopus 로고
    • Structural, elastic, and electronic properties of SiC, BN, and BeO nanotubes
    • B. Baumeier, P. Krüger, and J. Pollmann Structural, elastic, and electronic properties of SiC, BN, and BeO nanotubes Phys. Rev. B 76 2007 085407
    • (2007) Phys. Rev. B , vol.76 , pp. 085407
    • Baumeier, B.1    Krüger, P.2    Pollmann, J.3
  • 4
    • 84952649701 scopus 로고
    • Stability and band gap constancy of boron nitride nanotubes
    • X. Blase, A. Rubio, S.G. Louie, and M.L. Cohen Stability and band gap constancy of boron nitride nanotubes Europhys. Lett. 28 1994 335 340
    • (1994) Europhys. Lett. , vol.28 , pp. 335-340
    • Blase, X.1    Rubio, A.2    Louie, S.G.3    Cohen, M.L.4
  • 5
    • 33644817086 scopus 로고
    • Empirical potential for hydrocarbons for use in simulating the chemical vapor deposition of diamond films
    • D.W. Brenner Empirical potential for hydrocarbons for use in simulating the chemical vapor deposition of diamond films Phys. Rev. B 42 1990 9458 9471
    • (1990) Phys. Rev. B , vol.42 , pp. 9458-9471
    • Brenner, D.W.1
  • 6
    • 0037409356 scopus 로고    scopus 로고
    • Size-dependent elastic properties of a single-walled carbon nanotube via a molecular mechanics model
    • T. Chang, and H.J. Gao Size-dependent elastic properties of a single-walled carbon nanotube via a molecular mechanics model J. Mech. Phys. Solids 51 2003 1059 1074
    • (2003) J. Mech. Phys. Solids , vol.51 , pp. 1059-1074
    • Chang, T.1    Gao, H.J.2
  • 7
    • 29144474507 scopus 로고    scopus 로고
    • Chirality- and size-dependent elastic properties of single-walled carbon nanotubes
    • T. Chang, J. Geng, and X. Guo Chirality- and size-dependent elastic properties of single-walled carbon nanotubes Appl. Phys. Lett. 87 2005 251929
    • (2005) Appl. Phys. Lett. , vol.87 , pp. 251929
    • Chang, T.1    Geng, J.2    Guo, X.3
  • 9
    • 0031995999 scopus 로고    scopus 로고
    • Measurement of the elastic modulus of a multi-wall boron nitride nanotube
    • PII S0038109897101259
    • N.G. Chopra, and A. Zettl Measurement of the elastic modulus of a multi-wall boron nitride nanotube Solid State Commun. 105 1998 297 300 (Pubitemid 128389121)
    • (1998) Solid State Communications , vol.105 , Issue.5 , pp. 297-300
    • Chopra, N.G.1    Zettl, A.2
  • 10
    • 0034847196 scopus 로고    scopus 로고
    • Nanotubes, nanoscience, and nanotechnology
    • DOI 10.1016/S0928-4931(01)00221-1, PII S0928493101002211
    • M.L. Cohen Nanotubes, nanoscience, and nanotechnology Mater. Sci. Eng. 15 2001 1 11 (Pubitemid 32828133)
    • (2001) Materials Science and Engineering C , vol.15 , Issue.1-2 , pp. 1-11
    • Cohen, M.L.1
  • 11
    • 4244079381 scopus 로고
    • Embedded-atom method: Derivation and application to impurities, surfaces, and other defects in metals
    • M.S. Daw, and M.I. Baskes Embedded-atom method: derivation and application to impurities, surfaces, and other defects in metals Phys. Rev. B 29 1983 6443 6453
    • (1983) Phys. Rev. B , vol.29 , pp. 6443-6453
    • Daw, M.S.1    Baskes, M.I.2
  • 13
    • 35448988471 scopus 로고    scopus 로고
    • Theoretical study of size-dependent properties of BN nanotubes with intrinsic defects
    • G.Y. Gou, B.C. Pan, and L. Shi Theoretical study of size-dependent properties of BN nanotubes with intrinsic defects Phys. Rev. B 76 2007 155414
    • (2007) Phys. Rev. B , vol.76 , pp. 155414
    • Gou, G.Y.1    Pan, B.C.2    Shi, L.3
  • 14
    • 11944251068 scopus 로고
    • Maximally diagonal force constants in dependent angle-bending coordinates. II. Implications for the design of empirical force fields
    • T.A. Halgren Maximally diagonal force constants in dependent angle-bending coordinates. II. Implications for the design of empirical force fields J. Am. Chem. Soc 112 1990 4710 4723
    • (1990) J. Am. Chem. Soc , vol.112 , pp. 4710-4723
    • Halgren, T.A.1
  • 16
    • 3142562503 scopus 로고    scopus 로고
    • Ab initio calculations on the open end of single-walled BN nanotubes
    • S.M. Hou, Z.Y. Shen, J.X. Zhang, X.Y. Zhao, and Z.Q. Xue Ab initio calculations on the open end of single-walled BN nanotubes Chem. Phys. Lett. 393 2004 179 183
    • (2004) Chem. Phys. Lett. , vol.393 , pp. 179-183
    • Hou, S.M.1    Shen, Z.Y.2    Zhang, J.X.3    Zhao, X.Y.4    Xue, Z.Q.5
  • 17
    • 0342819025 scopus 로고
    • Helical microtubes of graphitic carbon
    • S. Iijima Helical microtubes of graphitic carbon Nature 354 1991 56 58
    • (1991) Nature , vol.354 , pp. 56-58
    • Iijima, S.1
  • 18
    • 0035893744 scopus 로고    scopus 로고
    • 2F, BN, and C nanoshell elasticity from ab initio computations
    • 2F, BN, and C nanoshell elasticity from ab initio computations Phys. Rev. B 64 2001 235406 235416
    • (2001) Phys. Rev. B , vol.64 , pp. 235406-235416
    • Kudin, K.N.1    Scuseria, G.E.2    Yakobson, B.I.3
  • 19
    • 0346755376 scopus 로고    scopus 로고
    • Elastic properties of carbon nanotubes and nanoropes
    • J.P. Lu Elastic properties of carbon nanotubes and nanopores Phys. Rev. Lett. 79 1997 1297 1300 (Pubitemid 127658418)
    • (1997) Physical Review Letters , vol.79 , Issue.7 , pp. 1297-1300
    • Lu, J.P.1
  • 20
    • 9144240095 scopus 로고
    • DREIDING: A generic force field for molecular simulations
    • S.L. Mayo, B.D. Olafson, and W.A. Goddard III DREIDING: a generic force field for molecular simulations J. Phys. Chem. 94 1990 8897 8909
    • (1990) J. Phys. Chem. , vol.94 , pp. 8897-8909
    • Mayo, S.L.1    Olafson, B.D.2    Iii, A.G.W.3
  • 21
    • 2642573571 scopus 로고    scopus 로고
    • Molecular mechanics of structural properties of boron nitride nanotubes
    • W.H. Moon, and H.J. Hwang Molecular mechanics of structural properties of boron nitride nanotubes Physica E 23 2004 26 30
    • (2004) Physica e , vol.23 , pp. 26-30
    • Moon, W.H.1    Hwang, H.J.2
  • 23
    • 4244061490 scopus 로고    scopus 로고
    • Elastic properties of single-walled carbon nanotubes
    • V.N. Popov, V.E. Van Doren, and M. Balkanski Elastic properties of single-walled carbon nanotubes Phys. Rev. B 61 2000 3078 3084
    • (2000) Phys. Rev. B , vol.61 , pp. 3078-3084
    • Popov, V.N.1    Van Doren, V.E.2    Balkanski, M.3
  • 25
    • 0042041206 scopus 로고
    • UFF, a full periodic table force field for molecular mechanics and molecular dynamics simulations
    • A.K. Rappe, C.J. Casewit, K.S. Colwell, W.A. Goddard III, and W.M. Skiff UFF, a full periodic table force field for molecular mechanics and molecular dynamics simulations J. Am. Chem. Soc. 114 1992 10024 10039
    • (1992) J. Am. Chem. Soc. , vol.114 , pp. 10024-10039
    • Rappe, A.K.1    Casewit, C.J.2    Colwell, K.S.3    Iii, A.G.W.4    Skiff, W.M.5
  • 27
    • 0029233544 scopus 로고
    • Mechanical and thermal properties of carbon nanotubes
    • R.S. Ruoff, and D.C. Lorents Mechanical and thermal properties of carbon nanotubes Carbon 33 1995 925 930
    • (1995) Carbon , vol.33 , pp. 925-930
    • Ruoff, R.S.1    Lorents, D.C.2
  • 28
    • 0000273759 scopus 로고    scopus 로고
    • Ab initio structural, elastic, and vibrational properties of carbon nanotubes
    • D. Sanchez-Portal, E. Artacho, J.M. Soler, A. Rubio, and P. Ordejon Ab initio structural, elastic, and vibrational properties of carbon nanotubes Phys. Rev. B 59 1999 12678 12688
    • (1999) Phys. Rev. B , vol.59 , pp. 12678-12688
    • Sanchez-Portal, D.1    Artacho, E.2    Soler, J.M.3    Rubio, A.4    Ordejon, P.5
  • 29
    • 1542313977 scopus 로고    scopus 로고
    • Transversely isotropic elastic properties of single-walled carbon nanotubes
    • L. Shen, and J. Li Transversely isotropic elastic properties of single-walled carbon nanotubes Phys. Rev. B 69 2004 045414
    • (2004) Phys. Rev. B , vol.69 , pp. 045414
    • Shen, L.1    Li, J.2
  • 30
    • 4243420264 scopus 로고
    • Empirical interatomic potential for carbon, with applications to amorphous-carbon
    • J. Tersoff Empirical interatomic potential for carbon, with applications to amorphous-carbon Phys. Rev. Lett. 61 1988 2872 2879
    • (1988) Phys. Rev. Lett. , vol.61 , pp. 2872-2879
    • Tersoff, J.1
  • 31
    • 3242834384 scopus 로고    scopus 로고
    • Exceptionally high Young's modulus observed for individual carbon nanotubes
    • M.M.J. Treacy, T.W. Ebbesen, and J.M. Gibson Exceptionally high Youngs modulus observed for individual carbon nanotubes Nature 381 1996 678 680 (Pubitemid 126515869)
    • (1996) Nature , vol.381 , Issue.6584 , pp. 678-680
    • Treacy, M.M.J.1    Ebbesen, T.W.2    Gibson, J.M.3
  • 32
    • 0033725322 scopus 로고    scopus 로고
    • Mechanical and electronic properties of carbon and boron-nitride nanotubes
    • L. Vaccarini, C. Goze, L. Henrard, E. Hernandez, P. Bernier, and A. Rubio Mechanical and electronic properties of carbon and boron-nitride nanotubes Carbon 38 2000 1681 1690
    • (2000) Carbon , vol.38 , pp. 1681-1690
    • Vaccarini, L.1    Goze, C.2    Henrard, L.3    Hernandez, E.4    Bernier, P.5    Rubio, A.6
  • 33
    • 0042338531 scopus 로고    scopus 로고
    • Ab initio calculations of the lattice dynamics of boron nitride nanotubes
    • L. Wirtz, A. Rubio, R.A. de la Concha, and A. Loiseau Ab initio calculations of the lattice dynamics of boron nitride nanotubes Phys. Rev. B 68 2003 045425
    • (2003) Phys. Rev. B , vol.68 , pp. 045425
    • Wirtz, L.1    Rubio, A.2    De La Concha, R.A.3    Loiseau, A.4
  • 34
    • 9744285222 scopus 로고    scopus 로고
    • First-principles study of small-radius single-walled BN nanotubes
    • H.J. Xiang, J. Yang, J.G. Hou, and Q. Zhu First-principles study of small-radius single-walled BN nanotubes Phys. Rev. B 68 2003 035427
    • (2003) Phys. Rev. B , vol.68 , pp. 035427
    • Xiang, H.J.1    Yang, J.2    Hou, J.G.3    Zhu, Q.4
  • 35
    • 13444311634 scopus 로고    scopus 로고
    • An analytical molecular structural mechanics model for the mechanical properties of carbon nanotubes
    • DOI 10.1016/j.ijsolstr.2004.10.031, PII S0020768304006213
    • J.R. Xiao, B.A. Gama, and J.W. Gillespie An analytical molecular structural mechanics model for the mechanical properties of carbon nanotubes Int. J. Solids Struct. 42 2005 3075 3092 (Pubitemid 40200619)
    • (2005) International Journal of Solids and Structures , vol.42 , Issue.11-12 , pp. 3075-3092
    • Xiao, J.R.1    Gama, B.A.2    Gillespie Jr., J.W.3
  • 36
    • 33750050422 scopus 로고    scopus 로고
    • Nanomechanics of carbon tubes: Instabilities beyond Linear Response
    • B.I. Yakobson, C.J. Brabec, and J. Bernholc Nanomechanics of carbon tubes: Instabilities beyond Linear Response Phys. Rev. Lett. 76 1996 2511 2514
    • (1996) Phys. Rev. Lett. , vol.76 , pp. 2511-2514
    • Yakobson, B.I.1    Brabec, C.J.2    Bernholc, J.3
  • 37
    • 3242821523 scopus 로고    scopus 로고
    • Fullerene nanotubes: C1000000 and beyond
    • B.I. Yakobson, and R.E. Smalley Fullerene nanotubes: C1000000 and beyond Am. Sci. 85 1997 324 337
    • (1997) Am. Sci. , vol.85 , pp. 324-337
    • Yakobson, B.I.1    Smalley, R.E.2
  • 38
    • 67650529505 scopus 로고    scopus 로고
    • Tunable ferromagnetic spin ordering in boron nitride nanotubes with topological fluorine adsorption
    • Z.H. Zhang, and W.L. Guo Tunable ferromagnetic spin ordering in boron nitride nanotubes with topological fluorine adsorption J. Am. Chem. Soc. 131 2009 6874 6879
    • (2009) J. Am. Chem. Soc. , vol.131 , pp. 6874-6879
    • Zhang, Z.H.1    Guo, W.L.2
  • 39
    • 57349105651 scopus 로고    scopus 로고
    • Freestanding (3, 0) boron nitride nanotube: Expected to be stable well over room temperature
    • Z.H. Zhang, W.L. Guo, and Y.T. Dai Freestanding (3, 0) boron nitride nanotube: Expected to be stable well over room temperature Appl. Phys. Lett. 93 2008 223108
    • (2008) Appl. Phys. Lett. , vol.93 , pp. 223108
    • Zhang, Z.H.1    Guo, W.L.2    Dai, Y.T.3
  • 40
    • 65449184461 scopus 로고    scopus 로고
    • Stability and electronic properties of small boron nitride nanotubes
    • Z.H. Zhang, W.L. Guo, and Y.T. Dai Stability and electronic properties of small boron nitride nanotubes J. Appl. Phys. 105 2009 084312
    • (2009) J. Appl. Phys. , vol.105 , pp. 084312
    • Zhang, Z.H.1    Guo, W.L.2    Dai, Y.T.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.