A molecular dynamics investigation on thermal conductivity of graphynes

Computational Materials Science

Volumn 65, Issue , 2012, Pages 406-410

  Zhang, Y Y ^a   Pei, Q X ^b   Wang, C M ^c  

^a UNIVERSITY OF WESTERN SYDNEY   (Australia)

^b INSTITUTE OF HIGH PERFORMANCE COMPUTING   (Singapore)

^c NATIONAL UNIVERSITY OF SINGAPORE   (Singapore)

Author keywords

Acetylenic linkage; Graphyne; Molecular dynamics; Temperature; Tension; Thermal conductivity

Indexed keywords

ACETYLENIC LINKAGE; ATOM DENSITY; CARBON ATOMS; EXTERNAL STRAINS; GRAPHYNE; MOLECULAR DYNAMICS SIMULATIONS; SINGLE BOND; TENSION;

GRAPHENE; MOLECULAR DYNAMICS; TEMPERATURE;

THERMAL CONDUCTIVITY;

EID: 84866002960     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2012.07.044     Document Type: Article

References (34)

1. K.S. Novoselov, A.K. Geim, S.V. Morozov, D. Jiang, Y. Zhang, S.V. Dubonos, I.V. Grigorieva, and A.A. Firsov Science 306 2004 666
2. A.A. Balandin Nat. Mater. 10 2011 569 581
3. A.K. Geim, and K.S. Novoselov Nat. Mater. 6 2007 183
4. C. Lee, X. Wei, J.W. Kysar, and J. Hone Science 321 2008 385
5. R.H. Baughman, H. Eckhardt, and M. Kertesz J. Chem. Phys. 87 1987 6687 6699
6. V.R. Coluci, S.F. Braga, S.B. Legoas, D.S. Galvao, and R.H. Baughman Nanotechnology 15 2004 S142 149
7. E.H.L. Falcao, and F. Wudl J. Chem. Technol. Biotechnol. 82 2007 524 531
8. A. Hirsch Nat. Mater. 9 2010 868 871
9. A.N. Enyashin, and A.L. Ivanovskii Phys. Status. Solidi. B 248 2011 1879 1883
10. D. Malko, C. Neiss, F. Vines, and A. Gorling Phys. Rev. Lett. 108 2012 086804
11. G.X. Li, Y.L. Li, H.B. Liu, Y.B. Guo, Y.J. Li, and D.B. Zhu Chem. Commun. 46 2010 3256 3258
12. J. Kang, J. Li, F. Wu, S.S. Li, and J.B. Xia J. Phys. Chem. C 115 2011 20466 20470
13. H. Zhang, M. Zhao, X. He, Z. Wang, X. Zhang, and X. Liu J. Phys. Chem. C 115 2011 8845 8850
14. K. Srinivasu, and S.K. Ghosh J. Phys. Chem. C 116 2012 5951 5956
15. C. Li, J. Li, F. Wu, S.S. Li, J.B. Xia, and L.W. Wang J. Phys. Chem. C 115 2011 23221 23225
16. Y. Yang, and X. Xu Comput. Mater. Sci. 61 2012 83 88
17. S.W. Cranford, and M.J. Buehler Carbon 49 2011 4111 4121
18. Y.Y. Zhang, Q.X. Pei, and C.M. Wang Appl. Phys. Lett. 101 2012 081909
19. S. Plimpton J. Comput. Phys. 117 1995 1 19
20. S.J. Stuart, A.B. Tutein, and J.A. Harrison J. Chem. Phys. 112 2000 6472
21. J. Hu, X. Ruan, and Y.P. Chen Nano Lett. 9 2009 2730
22. Z.X. Guo, D. Zhang, and X.G. Gong Appl. Phys. Lett. 95 2009 163103
23. Q.X. Pei, Y.W. Zhang, and V.B. Shenoy Carbon 48 2010 898 904
24. N. Wei, L. Xu, H.Q. Wang, and J.C. Zheng Nanotechnology 22 2011 105705
25. Z.P. Xu, and M.J. Buehler Nanotechnology 20 2009 185701
26. F. Hao, D.N. Fang, and Z.P. Xu Appl. Phys. Lett. 99 2011 041901
27. A. Bagri, S.P. Kim, R.S. Ruoff, and V.B. Shenoy Nano Lett. 11 2011 3917 3921
28. F. Muller-Plathe J. Chem. Phys. 106 1997 6082
29. W.G. Hoover Phys. Rev. A 31 1985 1695
30. J. Haskins, A. Kinaci, C. Sevik, H. Sevincli, G. Cuniberti, and T. Cagin ACS Nano 5 2011 3779
31. C. Sevik, H. Sevincli, G. Cuniberti, and T. Cagin Nano Lett. 11 2011 4971
32. D.L. Nika, S. Ghosh, E.P. Pokatilov, and A.A. Balandin Appl. Phys. Lett. 94 2009 203103
33. R.C. Picu, T.B. Tasciuc, and M.C. Pavel J. Appl. Phys. 93 2003 3535
34. X.B. Li, K. Maute, M.L. Dunn, and R.G. Yang Phys. Rev. B 81 2010 245318