Effects of topological point reconstructions on the fracture strength and deformation mechanisms of graphene

Computational Materials Science

Volumn 97, Issue , 2015, Pages 172-180

  Daly, Matthew ^a   Reeve, Meaghan ^a   Veer Singh, Chandra ^a  

^a UNIVERSITY OF TORONTO   (Canada)

Author keywords

Atomistic modeling; Brittle fracture; Energy barrier analysis; Graphene; Molecular dynamics; Point defects

Indexed keywords

BRITTLE FRACTURE; DEFORMATION; ENERGY BARRIERS; FRACTURE MECHANICS; FRACTURE TOUGHNESS; GRAPHENE; MOLECULAR DYNAMICS; POINT DEFECTS; POTENTIAL ENERGY; REPAIR; TOPOLOGY;

ANALYTICAL CALCULATION; ATOMISTIC MODELING; DEFORMATION MECHANISM; ENERGY BARRIER ANALYSIS; POINT RECONSTRUCTION; QUANTIZED FRACTURE MECHANICS; TEMPERATURE AND STRAIN RATE EFFECTS; THERMAL ACTIVATION THEORIES;

STRAIN RATE;

EID: 84910048361     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2014.10.034     Document Type: Article

References (49)

1. K.S. Kim, Y. Zhao, H. Jang, S.Y. Lee, J.M. Kim, K.S. Kim, J.-H. Ahn, P. Kim, J.-Y. Choi, and B.H. Hong Nature 457 7230 2009 706 710 10.1038/nature07719
2. A. Reina, X. Jia, J. Ho, D. Nezich, H. Son, V. Bulovic, M.S. Dresselhaus, and J. Kong Nano Lett. 9 1 2009 30 35 10.1021/nl801827v
3. S. Bae, H. Kim, Y. Lee, X. Xu, J.-S. Park, Y. Zheng, J. Balakrishnan, T. Lei, H.R. Kim, Y.I. Song, Y.-J. Kim, K.S. Kim, B. Ozyilmaz, J.-H. Ahn, B.H. Hong, and S. Iijima Nat. Nanotechnol. 5 8 2010 574 578 10.1038/nnano.2010.132
4. X. Li, W. Cai, J. An, S. Kim, J. Nah, D. Yang, R. Piner, A. Velamakanni, I. Jung, E. Tutuc, S.K. Banerjee, L. Colombo, and R.S. Ruoff Science 324 5932 2009 1312 1314 10.1126/science.1171245
5. M.P. Levendorf, C.S. Ruiz-Vargas, S. Garg, and J. Park Nano Lett. 9 12 2009 4479 4483 10.1021/nl902790r
6. A. Hashimoto, K. Suenaga, A. Gloter, K. Urita, and S. Iijima Nature 430 7002 2004 870 873 10.1038/nature02792.1
7. P.Y. Huang, C.S. Ruiz-Vargas, A.M. van der Zande, W.S. Whitney, M.P. Levendorf, J.W. Kevek, S. Garg, J.S. Alden, C.J. Hustedt, Y. Zhu, J. Park, P.L. McEuen, and D.A. Muller Nature 469 7330 2011 389 392 10.1038/nature09718
8. K. Kim, Z. Lee, W. Regan, C. Kisielowski, M.F. Crommie, and A. Zettl ACS Nano 5 3 2011 2142 2146 10.1021/nn1033423
9. J.C. Meyer, C. Kisielowski, R. Erni, M.D. Rossell, M.F. Crommie, and A. Zettl Nano Lett. 8 11 2008 3582 3586 10.1021/nl801386m
10. J. Kotakoski, A.V. Krasheninnikov, U. Kaiser, and J.C. Meyer Phys. Rev. Lett. 106 10 2011 105505 10.1103/PhysRevLett. 106.105505
11. F. Banhart, J. Kotakoski, and A.V. Krasheninnikov ACS Nano 5 1 2011 26 41 10.1021/nn102598m
12. A. El-Barbary, R. Telling, C. Ewels, M. Heggie, and P. Briddon Phys. Rev. B 68 14 2003 144107 10.1103/PhysRevB.68.144107
13. J.-M. Leyssale, and G.L. Vignoles J. Phys. Chem. C 118 15 2014 8200 8216 10.1021/jp501028n
14. A. Krasheninnikov, P. Lehtinen, A. Foster, and R. Nieminen Chem. Phys. Lett. 418 1-3 2006 132 136 10.1016/j.cplett.2005.10.106
15. Y. Kim, J. Ihm, E. Yoon, and G.-D. Lee Phys. Rev. B 84 7 2011 75445 10.1103/PhysRevB.84.075445
16. C. Lee, X. Wei, J.W. Kysar, and J. Hone Science 321 5887 2008 385 388 10.1126/science.1157996
17. G.-H. Lee, R.C. Cooper, S.J. An, S. Lee, A. van der Zande, N. Petrone, A.G. Hammerberg, C. Lee, B. Crawford, W. Oliver, J.W. Kysar, and J. Hone Science 340 6136 2013 1073 1076 10.1126/science.1235126
18. H.I. Rasool, C. Ophus, W.S. Klug, A. Zettl, and J.K. Gimzewski Nat. Commun. 4 2013 2811 10.1038/ncomms3811
19. C.S. Ruiz-Vargas, H.L. Zhuang, P.Y. Huang, A.M. van der Zande, S. Garg, P.L. McEuen, D.A. Muller, R.G. Hennig, and J. Park Nano Lett. 11 6 2011 2259 2263 10.1021/nl200429f
20. A. Zandiatashbar, G.-H. Lee, S.J. An, S. Lee, N. Mathew, M. Terrones, T. Hayashi, C.R. Picu, J. Hone, and N. Koratkar Nat. Commun. 5 2014 3186 10.1038/ncomms4186
21. Y.J. Sun, F. Ma, D.Y. Ma, K.W. Xu, and P.K. Chu J. Phys. D: Appl. Phys. 45 30 2012 305303 10.1088/0022-3727/45/30/305303
22. J.R. Xiao, J. Staniszewski, and J.W. Gillespie Mater. Sci. Eng.: A 527 3 2010 715 723 10.1016/j.msea.2009.10.052
23. L. Xu, N. Wei, and Y. Zheng Nanotechnology 24 50 2013 505703 10.1088/0957-4484/24/50/505703
24. L. He, S. Guo, J. Lei, Z. Sha, and Z. Liu Carbon 75 2014 124 132 10.1016/j.carbon.2014.03.044
25. M.C.C. Wang, C. Yan, L. Ma, N. Hu, and M.W.W. Chen Comput. Mater. Sci. 54 2012 236 239 10.1016/j.commatsci.2011.10.032
26. R. Ansari, S. Ajori, and B. Motevalli Superlattices Microstruct. 51 2 2012 274 289 10.1016/j.spmi.2011.11.019
27. J.A. Baimova, L. Bo, S.V. Dmitriev, K. Zhou, and A.A. Nazarov Europhys. Lett. 103 4 2013 46001 10.1209/0295-5075/103/46001
28. G. Halsey, H.J. White, and H. Eyring Text. Res. J. 15 9 1945 295 311 10.1177/004051754501500901
29. H. Zhao, and N.R. Aluru J. Appl. Phys. 108 2010 064321 10.1063/1.3488620
30. M.A.N. Dewapriya, R.K.N.D. Rajapakse, and A.S. Phani Int. J. Fract. 187 2 2014 199 212 10.1007/s10704-014-9931-y
31. S.S. Terdalkar, S. Huang, H. Yuan, J.J. Rencis, T. Zhu, and S. Zhang Chem. Phys. Lett. 494 4-6 2010 218 222 10.1016/j.cplett.2010.05.090
32. A. Cao, and Y. Yuan Appl. Phys. Lett. 100 21 2012 211912 10.1063/1.4722786
33. L. Yi, Z. Yin, Y. Zhang, and T. Chang Carbon 51 2013 373 380 10.1016/j.carbon.2012.08.069
34. M. Daly, and C. Veer Singh J. Appl. Phys. 115 22 2014 223513 10.1063/1.4883190
35. R. Dettori, E. Cadelano, and L. Colombo J. Phys. Condens. Matter: An Inst. Phys. J. 24 10 2012 104020 10.1088/0953-8984/24/10/104020
36. J. Zhao, H. Zeng, J. Wei, B. Li, and D. Xu Phys. Lett. A 378 4 2014 416 420 10.1016/j.physleta.2013.11.037
37. L. Wu, T. Hou, Y. Li, K.S. Chan, and S.-T. Lee J. Phys. Chem. C 117 33 2013 17066 17072 10.1021/jp405130c
38. S. Plimpton J. Comput. Phys. 117 June 1994 1995 1 42
39. S.J. Stuart, A.B. Tutein, and J.A. Harrison J. Chem. Phys. 112 14 2000 6472 10.1063/1.481208
40. Y. Wei, J. Wu, H. Yin, X. Shi, R. Yang, and M. Dresselhaus Nat. Mater. 11 9 2012 759 763 10.1038/NMAT3370
41. M.A.N. Dewapriya, and R.K.N.D. Rajapakse J. Appl. Mech. 81 8 2014 081010 10.1115/1.4027681
42. J. Li Model. Simulat. Mater. Sci. Eng. 0393 03 2003 173 177
43. R. Grantab, V.B. Shenoy, and R.S. Ruoff Science 330 6006 2010 946 948 10.1126/science.1196893
44. C. Wei, K. Cho, and D. Srivastava Phys. Rev. B 67 11 2003 115407 10.1103/PhysRevB.67.115407
45. N.M. Pugno, and R.S. Ruoff Philos. Mag. 84 27 2004 2829 2845 10.1080/14786430412331280382
46. J. Bailey Glass Ind. 20 21 1939 94
47. D.W. Brenner, O.A. Shenderova, J.A. Harrison, S.J. Stuart, B. Ni, and S.B. Sinnott J. Phys.: Condens. Matter 14 4 2002 783 802 10.1088/0953-8984/14/4/312
48. B. Zhang, G. Yang, and H. Xu Phys. B: Condens. Matter 434 2014 145 148 10.1016/j.physb.2013.11.027
49. B. Mortazavi, and S. Ahzi Thermal conductivity and tensile response of defective graphene: a molecular dynamics study Carbon 63 2013 460 470 10.1016/j.carbon.2013.07.017