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Simulation of the adhesion properties of the polyethylene/carbon nanotube interface

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Abstract

The properties of a polyethylene matrix in contact with carbon nanoinclusions, such as carbon nanotubes and graphene plates, are studied via the molecular-dynamics method. Ultimate shear stresses for the polyethylene/graphene interface are calculated, and the effect of the filler aspect ratio on the nanocomposite elastic modulus is considered.

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References

  1. Z. Wang, P. Ciselli, and T. Peijs, Nanotecnology 18 (45), 455709 (2007).

    Article  Google Scholar 

  2. H. Hu, L. Onyebueke, and A. Abatan, J. Miner. Mater. Charact. Eng. 9 (4), 275 (2010).

    Google Scholar 

  3. A. H. Barber, S. R. Cohen, and H. D. Wagner, Appl. Phys. Lett. 82 (23), 4140 (2003).

    Article  CAS  Google Scholar 

  4. M. Wong, M. Paramsothy, X. J. Xu, Y. Ren, S. Li, and K. Liao, Polymer 44 (25), 7757 (2003).

    Article  CAS  Google Scholar 

  5. M. H. Al-Saleh and U. Sundararaj, Composites, Part A 42 (12), 2126 (2011).

    Article  Google Scholar 

  6. A. Kutvonen, G. Rossi, S. R. Puisto, N. K. J. Rostedt, and T. Ala-Nissila, J. Chem. Phys. 137 (21), 214901 (2012).

    Article  Google Scholar 

  7. E. Zhuravlev, A. Wurm, P. Potschke, R. Androsch, J. Schmelzer, and C. Schick, Eur. Polym. J. 52, 1 (2014).

    Article  CAS  Google Scholar 

  8. V. E. Smirnova, I. V. Gofman, E. M. Ivan’kova, A. L. Didenko, A. V. Krestinin, G. I. Zvereva, V. M. Svetlichnyi, and V. E. Yudin, Polym. Sci., Ser. A 55 (4), 268 (2013).

    Article  CAS  Google Scholar 

  9. K. Lu, N. Grossiord, C. E. Koning, H. E. Miltner, B. Mele, and L. Joachim, Macromolecules 41 (21), 8081 (2008).

    Article  CAS  Google Scholar 

  10. Y. Liu and S. Kumar, ACS Appl. Mater. Interfaces 6 (9), 6069 (2014).

    Article  CAS  Google Scholar 

  11. S. Zhang, W. Lin, C.-P. Wong, D. G. Bucknall, and S. Kumar, ACS Appl. Mater. Interfaces 2 (6), 1642 (2010).

    Article  CAS  Google Scholar 

  12. S. G. Falkovich, S. V. Larin, A. V. Lyulin, V. E. Yudin, J. M. Kenny, and S. V. Lyulin, RSC Adv. 4 (89), 48606 (2014).

    Article  CAS  Google Scholar 

  13. T. Ramanathan and A. Abdala, Nat. Nanotechnol. 3 (6), 327 (2008).

    Article  CAS  Google Scholar 

  14. P.-C. Ma, N. A. Siddiqui, G. Marom, and J.-K. Kim, Composites, Part A 41 (10), 1345 (2010).

    Article  Google Scholar 

  15. S. A. Gubin, I. V. Maklashova, and E. I. Dzhelilova, Nanotechnol. Russ 10 (1–2), 18 (2015).

    Article  CAS  Google Scholar 

  16. A. Yu. Kuksin, A. V. Lankin, I. V. Morozov, G. E. Norman, N. D. Orekhov, V. V. Pisarev, G. S. Smirnov, S. V. Starikov, V. V. Stegailov, and A. V. Timofeev, Program. Sist.: Teor. Prilozh. 5 (1), 191 (2014).

    Google Scholar 

  17. V. V. Stegailov and G. E. Norman, Program. Sist.: Teor. Prilozh. 5 (1), 111 (2014).

    Google Scholar 

  18. V. V. Stegailov, N. D. Orekhov, and G. S. Smirnov, Parallel Computing Technologies, Ed. by V. Malyshkin, Lecture Notes in Computer Science 9251, 469 (2015).

    Article  Google Scholar 

  19. S. J. V. Frankland, A. Caglar, D. W. Brenner, and M. Griebel, J. Phys. Chem. B 106 (12), 3046 (2002).

    Article  CAS  Google Scholar 

  20. I. A. Strelnikov, N. K. Balabaev, M. A. Mazo, and E. F. Oleinik, Polym. Sci., Ser. A 56 (2), 219 (2014).

    Article  CAS  Google Scholar 

  21. K. V. Shaitan, Russ. J. Phys. Chem. B 8 (4), 524 (2014).

    Article  CAS  Google Scholar 

  22. I. A. Strelnikov, M. A. Mazo, N. K. Balabaev, and E. F. Oleinik, Polym. Sci., Ser. A 56 (4), 511 (2014).

    Article  CAS  Google Scholar 

  23. A. Maiti, J. Wescott, and P. Kung, Mol. Simul. 31 (2–3), 143 (2005).

    Article  CAS  Google Scholar 

  24. A. A. Gavrilov, A. V. Chertovich, P. G. Khalatur, and A. R. Khokhlov, Soft Matter 9 (15), 4067 (2013).

    Article  CAS  Google Scholar 

  25. J. W. Ponder and D. Case, Adv. Protein Chem. 66, 27 (2003).

    Article  CAS  Google Scholar 

  26. A. L. Rabinovich and A. P. Lyubartsev, Polym. Sci., Ser. C 55 (1), 162 (2013).

    Article  CAS  Google Scholar 

  27. S. J. Marrink, H. J. Risselada, S. Yefimov, D. P. Tieleman, and A. H. de Vries, J. Phys. Chem. B 111 (27), 7812 (2007).

    Article  CAS  Google Scholar 

  28. S. L. Mayo, B. D. Olafson, and W. A. Goddard, J. Phys. Chem. 94 (26), 8897 (1990).

    Article  CAS  Google Scholar 

  29. C. D. Wick, M. G. Martin, and J. I. Siepmann, J. Phys. Chem. B 104 (33), 8008 (2000).

    Article  CAS  Google Scholar 

  30. S. J. Stuart, A. B. Tutein, and J. A. Harrison, J. Chem. Phys. 112 (14), 6472 (2000).

    Article  CAS  Google Scholar 

  31. Y. Zhang, X. Zhuang, J. Muthu, T. Mabrouki., M. Fontaine, Y. Gong, and T. Rabczuk, Composites, Part B 63, 27, (2014).

    Article  CAS  Google Scholar 

  32. S. Rouhi, Y. Alizadeh, and R. Ansari, Appl. Surf. Sci. 292, 958 (2014).

    Article  CAS  Google Scholar 

  33. N. D. Orekhov and V. V. Stegailov, Carbon 87, 358 (2015).

    Article  CAS  Google Scholar 

  34. N. D. Orekhov and V. V. Stegailov, Dokl. Phys. 60 (3), 109 (2015).

    Article  CAS  Google Scholar 

  35. D. Reith, M. Pütz, and F. Müller-Plathe, J. Comput. Chem. 24 (13), 1624 (2003).

    Article  CAS  Google Scholar 

  36. F. Ercolessi and J. Adams, Europhys. Lett. 26 (8), 583 (1994).

    Article  CAS  Google Scholar 

  37. V. Perebeinos and J. Tersoff, Nano Lett. 14 (8), 4376 (2014).

    Article  CAS  Google Scholar 

  38. C. Lee, X. Wei, J. W. Kysar, and J. Hone, Science 321 (5887), 385 (2008).

    Article  CAS  Google Scholar 

  39. P. E. Rouse, J. Chem. Phys. 21 (7), 1272 (1953).

    Article  CAS  Google Scholar 

  40. M. Perez, O. Lame, F. Leonforte, and J.-L. Barrat, J. Chem. Phys. 128 (23), 234904 (2008).

    Article  Google Scholar 

  41. S. Plimpton, J. Comput. Phys. 117 (1), 1 (1995).

    Article  CAS  Google Scholar 

  42. V. A. Harmandaris and K. Kremer, Macromolecules 42 (3), 791 (2009).

    Article  CAS  Google Scholar 

  43. R. Rafiee, T. Rabczuk, R. Pourazizi, J. Zhao, and Y. Zhang, Adv. Mater. Sci. Eng. 2013, Article ID 183026 (2013).

    Google Scholar 

  44. M. Rahmat and P. Hubert, Compos. Sci. Technol. 72 (1), 72 (2011).

    Article  CAS  Google Scholar 

  45. Q. Zheng, D. Xia, Q. Xue, K. Yan, X. Gao, and Q. Li, Appl. Surf. Sci. 255 (6), 3534 (2009).

    Article  CAS  Google Scholar 

  46. Y. Li, Y. Liu, X. Peng, C. Yan, S. Liu, and N. Hu, Comput. Mater. Sci. 50 (6), 1854 (2011).

    Article  CAS  Google Scholar 

  47. C. Lv, Q. Xue, D. Xia, M. Ma, J. Xie, and H. Chen, J. Phys. Chem. C 114 (14), 6588 (2010).

    Article  CAS  Google Scholar 

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Correspondence to N. D. Orekhov.

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Original Russian Text © N.D. Orekhov, V.V. Stegailov, 2016, published in Vysokomolekulyarnye Soedineniya. Ser. A, 2016, Vol. 58, No. 3, pp. 303–314.

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Orekhov, N.D., Stegailov, V.V. Simulation of the adhesion properties of the polyethylene/carbon nanotube interface. Polym. Sci. Ser. A 58, 476–486 (2016). https://doi.org/10.1134/S0965545X16030135

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  • DOI: https://doi.org/10.1134/S0965545X16030135

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