메뉴 건너뛰기




Volumn 51, Issue 2, 2012, Pages 274-289

Mechanical properties of defective single-layered graphene sheets via molecular dynamics simulation

Author keywords

Fracture mechanism; Graphene sheets; Molecular dynamics; Single vacancy defect; Stone Wales defect

Indexed keywords

FAILURE PROCESS; FAILURE STRAIN; FRACTURE MECHANISMS; GRAPHENE SHEETS; INTRINSIC STRENGTH; MOLECULAR DYNAMICS SIMULATIONS; POTENTIAL FUNCTION; SINGLE VACANCIES; SINGLE VACANCY DEFECT; SINGLE-LAYERED GRAPHENE SHEETS; STONE-WALES DEFECTS; STRUCTURAL DEFECT; YOUNG'S MODULUS;

EID: 84855758961     PISSN: 07496036     EISSN: 10963677     Source Type: Journal    
DOI: 10.1016/j.spmi.2011.11.019     Document Type: Article
Times cited : (175)

References (50)
  • 2
    • 34547286534 scopus 로고    scopus 로고
    • Carbon nanotube field-effect-transistor-based biosensor
    • B.L. Allen, P.D. Kichambare, and A. Star Carbon nanotube field-effect-transistor-based biosensor Adv. Mater. 19 2007 1439 1451
    • (2007) Adv. Mater. , vol.19 , pp. 1439-1451
    • Allen, B.L.1    Kichambare, P.D.2    Star, A.3
  • 3
    • 0037266005 scopus 로고    scopus 로고
    • Single-wall carbon nanotubes as attractive toughening agents in alumina-based nanocomposites
    • G. Zhan, J.D. Kuntz, J. Wan, and A.K. Mukherjee Single-wall carbon nanotubes as attractive toughening agents in alumina-based nanocomposites Nat. Mater. 2 2003 38 42
    • (2003) Nat. Mater. , vol.2 , pp. 38-42
    • Zhan, G.1    Kuntz, J.D.2    Wan, J.3    Mukherjee, A.K.4
  • 4
    • 0034725776 scopus 로고    scopus 로고
    • Low-friction nanoscale linear bearing realized from multiwall carbon nanotubes
    • DOI 10.1126/science.289.5479.602
    • J. Cumings, and A. Zettl Low-friction nanoscale linear bearing realized from multiwall carbon nanotubes Science 289 2000 602 604 (Pubitemid 30622059)
    • (2000) Science , vol.289 , Issue.5479 , pp. 602-604
    • Cumings, J.1    Zettl, A.2
  • 5
    • 27744504244 scopus 로고    scopus 로고
    • Applications of carbon nanotubes in drug delivery
    • DOI 10.1016/j.cbpa.2005.10.005, PII S1367593105001389, Biopolymers / Model Systems
    • A. Bianco, K. Kostarelos, and M. Prato Application of carbon nanotubes in drug delivery Curr. Opin. Chem. Biol. 9 2005 674 679 (Pubitemid 41612196)
    • (2005) Current Opinion in Chemical Biology , vol.9 , Issue.6 , pp. 674-679
    • Bianco, A.1    Kostarelos, K.2    Prato, M.3
  • 6
    • 47749150628 scopus 로고    scopus 로고
    • Measurement of the elastic properties and intrinsic strength of monolayer graphene
    • DOI 10.1126/science.1157996
    • C. Lee, X. Wei, J.W. Kysar, and J. Hone Measurement of the elastic properties and intrinsic strength of monolayer graphene Science 321 2008 385 388 (Pubitemid 352029970)
    • (2008) Science , vol.321 , Issue.5887 , pp. 385-388
    • Lee, C.1    Wei, X.2    Kysar, J.W.3    Hone, J.4
  • 7
    • 77956303501 scopus 로고    scopus 로고
    • Nanoindentation of a circular sheet of bilayer graphene
    • M. Neek-Amal, and F.M. Peeters Nanoindentation of a circular sheet of bilayer graphene Phys. Rev. B 81 2010 235421
    • (2010) Phys. Rev. B , vol.81 , pp. 235421
    • Neek-Amal, M.1    Peeters, F.M.2
  • 9
    • 33644965587 scopus 로고    scopus 로고
    • Molecular and continuum mechanics modeling of grpahene deformation
    • X. Xu, and K. Liao Molecular and continuum mechanics modeling of grpahene deformation Mater. Phys. Mech. 4 2001 148 151
    • (2001) Mater. Phys. Mech. , vol.4 , pp. 148-151
    • Xu, X.1    Liao, K.2
  • 10
    • 49349117149 scopus 로고    scopus 로고
    • A method for developing the equivalent continuum model of a single layer graphene sheet
    • A. Hemmasizadeh, M. Mahzoon, E. Hadi, and R. Khandan A method for developing the equivalent continuum model of a single layer graphene sheet Thin Solid Films 516 2008 7636 7640
    • (2008) Thin Solid Films , vol.516 , pp. 7636-7640
    • Hemmasizadeh, A.1    Mahzoon, M.2    Hadi, E.3    Khandan, R.4
  • 11
    • 70350602232 scopus 로고    scopus 로고
    • Young's modulus of graphene: A molecular dynamics study
    • J.W. Jiang, J.S. Wang, and B. Li Young's modulus of graphene: a molecular dynamics study Phys. Rev. B 80 2009 113405
    • (2009) Phys. Rev. B , vol.80 , pp. 113405
    • Jiang, J.W.1    Wang, J.S.2    Li, B.3
  • 12
    • 77955672176 scopus 로고    scopus 로고
    • Temperature-dependent elastic properties of single layer graphene sheets
    • L. Shen, H.S. Shen, and C.L. Zhang Temperature-dependent elastic properties of single layer graphene sheets Mater. Des. 31 2010 4445 4449
    • (2010) Mater. Des. , vol.31 , pp. 4445-4449
    • Shen, L.1    Shen, H.S.2    Zhang, C.L.3
  • 13
    • 75049084975 scopus 로고    scopus 로고
    • Anisotropic mechanical properties of graphene sheets from molecular dynamics
    • Z. Ni, H. Bu, M. Zou, H. Yi, K. Bi, and Y. Chen Anisotropic mechanical properties of graphene sheets from molecular dynamics Physica B 405 2010 1301 1306
    • (2010) Physica B , vol.405 , pp. 1301-1306
    • Ni, Z.1    Bu, H.2    Zou, M.3    Yi, H.4    Bi, K.5    Chen, Y.6
  • 14
    • 34548392577 scopus 로고    scopus 로고
    • Ab initio calculation of ideal strength and phonon instability of graphene under tension
    • F. Liu, P. Ming, and J. Li Ab initio calculation of ideal strength and phonon instability of graphene under tension Phys. Rev. B 76 2007 064120
    • (2007) Phys. Rev. B , vol.76 , pp. 064120
    • Liu, F.1    Ming, P.2    Li, J.3
  • 15
    • 0345168776 scopus 로고    scopus 로고
    • Ideal tensile strength and band gap of single-walled carbon nanotubes
    • S. Ogata, and Y. Shibutani Ideal tensile strength and band gap of single-walled carbon nanotubes Phys. Rev. B 68 2003 165409
    • (2003) Phys. Rev. B , vol.68 , pp. 165409
    • Ogata, S.1    Shibutani, Y.2
  • 16
    • 56349086956 scopus 로고    scopus 로고
    • Elastic properties of single-layered graphene sheet
    • A. Sakhaee-Pour Elastic properties of single-layered graphene sheet Solid State Commun. 149 2009 91 95
    • (2009) Solid State Commun. , vol.149 , pp. 91-95
    • Sakhaee-Pour, A.1
  • 17
    • 77954145356 scopus 로고    scopus 로고
    • Numerical investigation of elastic mechanical properties of graphene structures
    • S.K. Georgantzinos, G.I. Giannopoulos, and N.K. Anifantis Numerical investigation of elastic mechanical properties of graphene structures Mater. Des. 31 2010 4646 4654
    • (2010) Mater. Des. , vol.31 , pp. 4646-4654
    • Georgantzinos, S.K.1    Giannopoulos, G.I.2    Anifantis, N.K.3
  • 19
    • 0038330426 scopus 로고    scopus 로고
    • A structural mechanics approach for the analysis of carbon nanotubes
    • DOI 10.1016/S0020-7683(03)00056-8
    • C. Li, and T.W. Chou A structural mechanics approach for the analysis of carbon nanotubes Int. J. Solids Struct. 40 2003 2487 2499 (Pubitemid 36557953)
    • (2003) International Journal of Solids and Structures , vol.40 , Issue.10 , pp. 2487-2499
    • Li, C.1    Chou, T.-W.2
  • 21
    • 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
  • 22
    • 33746377291 scopus 로고    scopus 로고
    • An energy-equivalent model on studying the mechanical properties of single-walled carbon nanotubes
    • DOI 10.1016/j.tws.2006.05.003, PII S0263823106000838
    • Y. Wu, X. Zhang, A.Y.T. Leung, and W. Zhong An energy-equivalent model on studying the mechanical properties of single-walled carbon nanotubes Thin-Walled Struct. 44 2006 667 676 (Pubitemid 44109745)
    • (2006) Thin-Walled Structures , vol.44 , Issue.6 , pp. 667-676
    • Wu, Y.1    Zhang, X.2    Leung, A.Y.T.3    Zhong, W.4
  • 23
    • 33845440521 scopus 로고    scopus 로고
    • Prediction of chirality- and size-dependent elastic properties of single-walled carbon nanotubes via a molecular mechanics model
    • DOI 10.1098/rspa.2006.1682
    • T. Chang, J. Geng, and X. Guo Prediction of chirality- and size-dependent elastic properties of single-walled carbon nanotubes via a molecular mechanics model Proc. Royal Soc. A 462 2006 2523 2540 (Pubitemid 44922061)
    • (2006) Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences , vol.462 , Issue.2072 , pp. 2523-2540
    • Chang, T.1    Geng, J.2    Guo, X.3
  • 24
    • 0036721938 scopus 로고    scopus 로고
    • An atomistic-based finite deformation membrane for single layer crystalline films
    • M. Arroyo, and T. Belytschko An atomistic-based finite deformation membrane for single layer crystalline films J. Mech. Phys. Solids 50 2002 1941 1977
    • (2002) J. Mech. Phys. Solids , vol.50 , pp. 1941-1977
    • Arroyo, M.1    Belytschko, T.2
  • 25
    • 2142825728 scopus 로고    scopus 로고
    • Finite crystal elasticity of carbon nanotubes based on the exponential Cauchy-Born rule
    • M. Arroyo, and T. Belytschko Finite crystal elasticity of carbon nanotubes based on the exponential Cauchy-Born rule Phys. Rev. B 69 2004 115415
    • (2004) Phys. Rev. B , vol.69 , pp. 115415
    • Arroyo, M.1    Belytschko, T.2
  • 26
    • 29144514763 scopus 로고    scopus 로고
    • Continuum mechanics modeling and simulation of carbon nanotubes
    • DOI 10.1007/s11012-005-2133-y
    • M. Arroyo, and T. Belytschko Continuum mechanics modeling and simulation of carbon nanotubes Meccanica 40 2005 455 469 (Pubitemid 41813183)
    • (2005) Meccanica , vol.40 , Issue.4-6 SPEC. ISS. , pp. 455-469
    • Arroyo, M.1    Belytschko, T.2
  • 27
    • 0037014431 scopus 로고    scopus 로고
    • The elastic modulus of single-wall carbon nanotubes: A continuum analysis incorporating interatomic potentials
    • DOI 10.1016/S0020-7683(02)00186-5, PII S0020768302001865, IUTAM Symposium Proceedings
    • P. Zhang, Y. Huang, P.H. Geubelle, P.A. Klein, and K.C. Hwang The elastic modulus of single-wall carbon nanotubes: a continuum analysis incorporating interatomic potentials Int. J. Solids Struct. 39 2002 3893 3906 (Pubitemid 34801335)
    • (2002) International Journal of Solids and Structures , vol.39 , Issue.13-14 , pp. 3893-3906
    • Zhang, P.1    Huang, Y.2    Geubelle, P.H.3    Klein, P.A.4    Hwang, K.C.5
  • 28
    • 37849030517 scopus 로고    scopus 로고
    • An atomistic-based finite-deformation shell theory for single-wall carbon nanotubes
    • J. Wu, K.C. Hwang, and Y. Huang An atomistic-based finite-deformation shell theory for single-wall carbon nanotubes J. Mech. Phys. Solids 56 2008 279 292
    • (2008) J. Mech. Phys. Solids , vol.56 , pp. 279-292
    • Wu, J.1    Hwang, K.C.2    Huang, Y.3
  • 29
    • 59649087431 scopus 로고    scopus 로고
    • Fracture and progressive failure of defective graphene sheets and carbon nanotubes
    • J.R. Xiao, J. Staniszewski, and J.W. Gillespie Fracture and progressive failure of defective graphene sheets and carbon nanotubes Compos. Struct. 88 2009 602 609
    • (2009) Compos. Struct. , vol.88 , pp. 602-609
    • Xiao, J.R.1    Staniszewski, J.2    Gillespie, J.W.3
  • 30
    • 71849113179 scopus 로고    scopus 로고
    • Tensile behaviors of graphene sheets and carbon nanotubes with multiple Stone-Wales defects
    • J.R. Xiao, J. Staniszewski, and J.W. Gillespie Tensile behaviors of graphene sheets and carbon nanotubes with multiple Stone-Wales defects Mater. Sci. Eng., A 527 2010 715 723
    • (2010) Mater. Sci. Eng., A , vol.527 , pp. 715-723
    • Xiao, J.R.1    Staniszewski, J.2    Gillespie, J.W.3
  • 31
    • 3343024720 scopus 로고    scopus 로고
    • Formation of ion irradiation induced small-scale defects on graphite surfaces
    • K. Nordlund, J. Keinonen, and T. Mattila Formation of ion irradiation induced small-scale defects on graphite surfaces Phys. Rev. Lett. 77 1996 699 702 (Pubitemid 126624532)
    • (1996) Physical Review Letters , vol.77 , Issue.4 , pp. 699-702
    • Nordlund, K.1    Keinonen, J.2    Mattila, T.3
  • 32
    • 84988747587 scopus 로고    scopus 로고
    • Formation of ion-irradiation-induced atomic-scale defects on walls of carbon nanotubes
    • A.V. Krasheninnikov, K. Nordlund, M. Sirviö, E. Salonen, and J. Keinonen Formation of ion-irradiation-induced atomic-scale defects on walls of carbon nanotubes Phys. Rev. B 63 2001 245405
    • (2001) Phys. Rev. B , vol.63 , pp. 245405
    • Krasheninnikov, A.V.1    Nordlund, K.2    Sirviö, M.3    Salonen, E.4    Keinonen, J.5
  • 33
    • 16444366630 scopus 로고
    • New empirical approach for the structure and energy of covalent systems
    • J. Tersoff New empirical approach for the structure and energy of covalent systems Phys. Rev. B 37 1988 6991 7000
    • (1988) Phys. Rev. B , vol.37 , pp. 6991-7000
    • Tersoff, J.1
  • 34
    • 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
  • 35
    • 0001538909 scopus 로고
    • Canonical dynamics: Equilibrium phase-space distributions
    • W.G. Hoover Canonical dynamics: equilibrium phase-space distributions Phys. Rev. A 31 1985 1695 1697
    • (1985) Phys. Rev. A , vol.31 , pp. 1695-1697
    • Hoover, W.G.1
  • 36
    • 31044454633 scopus 로고    scopus 로고
    • Equilibrium configuration and continuum elastic properties of finite sized graphene
    • DOI 10.1088/0957-4484/17/3/042, PII S0957448406040268
    • C.D. Reddy, S. Rajendran, and K.M. Liew Equilibrium configuration and continuum elastic properties of finite sized graphene Nanotechnology 17 2006 864 870 (Pubitemid 43121703)
    • (2006) Nanotechnology , vol.17 , Issue.3 , pp. 864-870
    • Reddy, C.D.1    Rajendran, S.2    Liew, K.M.3
  • 37
    • 70350048666 scopus 로고    scopus 로고
    • Prediction of Young's modulus of graphene sheets and carbon nanotubes using nanoscale continuum mechanics approach
    • M.M. Shokrieh, and R. Rafiee Prediction of Young's modulus of graphene sheets and carbon nanotubes using nanoscale continuum mechanics approach Mater. Des. 31 2010 790 795
    • (2010) Mater. Des. , vol.31 , pp. 790-795
    • Shokrieh, M.M.1    Rafiee, R.2
  • 39
    • 0000320794 scopus 로고    scopus 로고
    • Ab initio study of the elastic properties of single-walled carbon nanotubes and graphene
    • G.V. Lier, C.V. Alsenoy, V.V. Doren, and P. Greelings Ab initio study of the elastic properties of single-walled carbon nanotubes and graphene Chem. Phys. Lett. 326 2000 181 185
    • (2000) Chem. Phys. Lett. , vol.326 , pp. 181-185
    • Lier, G.V.1    Alsenoy, C.V.2    Doren, V.V.3    Greelings, P.4
  • 40
    • 67649380342 scopus 로고    scopus 로고
    • Mechanical properties of monolayer graphene under tensile and compressive loading
    • Y. Gao, and P. Hao Mechanical properties of monolayer graphene under tensile and compressive loading Physica E 41 2009 1561 1566
    • (2009) Physica e , vol.41 , pp. 1561-1566
    • Gao, Y.1    Hao, P.2
  • 41
    • 69549110942 scopus 로고    scopus 로고
    • Characterizing mechanical properties of graphite using molecular dynamics simulation
    • J.L. Tsai, and J.F. Tu Characterizing mechanical properties of graphite using molecular dynamics simulation Mater. Des. 31 2010 194 199
    • (2010) Mater. Des. , vol.31 , pp. 194-199
    • Tsai, J.L.1    Tu, J.F.2
  • 42
    • 72049115489 scopus 로고    scopus 로고
    • Quantum mechanics study of the mechanism of deformation and fracture of graphene
    • Y.G. Yanovsky, E.A. Nikitina, Y.N. Karnet, and S.M. Nikitin Quantum mechanics study of the mechanism of deformation and fracture of graphene Phys. Mesomech. 12 5-6 2009 254 262
    • (2009) Phys. Mesomech. , vol.12 , Issue.56 , pp. 254-262
    • Yanovsky, Y.G.1    Nikitina, E.A.2    Karnet, Y.N.3    Nikitin, S.M.4
  • 43
    • 78650267718 scopus 로고    scopus 로고
    • Simulation of deformation and fracture of graphene: Effect of size, defects and surface modification
    • Y.G. Yanovsky, E.A. Nikitina, Y.N. Karnet, and S.M. Nikitin Simulation of deformation and fracture of graphene: effect of size, defects and surface modification Phys. Mesomech. 13 2010 329 336
    • (2010) Phys. Mesomech. , vol.13 , pp. 329-336
    • Yanovsky, Y.G.1    Nikitina, E.A.2    Karnet, Y.N.3    Nikitin, S.M.4
  • 44
    • 78651345172 scopus 로고    scopus 로고
    • Mechanical properties of graphene under shear deformation
    • K. Min, and N.R. Aluru Mechanical properties of graphene under shear deformation Appl. Phys. Lett. 98 2011 013113
    • (2011) Appl. Phys. Lett. , vol.98 , pp. 013113
    • Min, K.1    Aluru, N.R.2
  • 46
    • 42249107821 scopus 로고    scopus 로고
    • Buckling of defective single-walled and double-walled carbon nanotubes under axial compression by molecular dynamics simulation
    • X. Hao, H. Qiang, and Y. Xiaohu Buckling of defective single-walled and double-walled carbon nanotubes under axial compression by molecular dynamics simulation Compos. Sci. Technol. 68 2008 1809 1814
    • (2008) Compos. Sci. Technol. , vol.68 , pp. 1809-1814
    • Hao, X.1    Qiang, H.2    Xiaohu, Y.3
  • 47
    • 28844453711 scopus 로고    scopus 로고
    • Equivalent continuum modeling of graphene sheets
    • DOI 10.1142/S0219581X05003528, PII S0219581X05003528
    • C.D. Reddy, S. Rajendran, and K.M. Liew Equivalent continuum modeling of graphene sheet Int. J. Nanosci. 4 2005 631 636 (Pubitemid 41769478)
    • (2005) International Journal of Nanoscience , vol.4 , Issue.4 , pp. 631-636
    • Reddy, C.D.1    Rajendran, S.2    Liew, K.M.3
  • 48
    • 25444472090 scopus 로고    scopus 로고
    • Resonance analysis of multi-layered graphene sheets used as nanoscale resonators
    • DOI 10.1088/0957-4484/16/10/018, PII S0957448405963721
    • X. He, S. Kitipornchai, and K.M. Liew Resonance analysis of multi-layered graphene sheets used as nanoscale resonators Nanotechnology 16 2005 2086 2091 (Pubitemid 41376138)
    • (2005) Nanotechnology , vol.16 , Issue.10 , pp. 2086-2091
    • He, X.Q.1    Kitipornchai, S.2    Liew, K.M.3
  • 49
    • 33644955639 scopus 로고    scopus 로고
    • Continuum model for the vibration of multilayered graphene sheets
    • S. Kitipornchai, X. He, and K.M. Liew Continuum model for the vibration of multilayered graphene sheets Phys. Rev. B 72 2005 075443
    • (2005) Phys. Rev. B , vol.72 , pp. 075443
    • Kitipornchai, S.1    He, X.2    Liew, K.M.3
  • 50
    • 33747361653 scopus 로고    scopus 로고
    • Predicting nanovibration of multi-layered graphene sheets embedded in an elastic matrix
    • DOI 10.1016/j.actamat.2006.05.016, PII S1359645406003533
    • K.M. Liew, X. He, and S. Kitipornchai Predicting nanovibration of multi-layered graphene sheets embedded in an elastic matrix Acta Mater. 54 2006 4229 4236 (Pubitemid 44247818)
    • (2006) Acta Materialia , vol.54 , Issue.16 , pp. 4229-4236
    • Liew, K.M.1    He, X.Q.2    Kitipornchai, S.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.