Investigation of thermal expansion of polyimide/SiO2 nanocomposites by molecular dynamics simulations

Macromolecular Theory and Simulations

Volumn 19, Issue 1, 2010, Pages 64-73

  Komarov, Pavel ^a,b,c   Chiu, Yu Tsung ^c   Chen, Shih Ming ^c   Reineker, Peter ^d  

^a TVER STATE UNIVERSITY   (Russian Federation)

^b A N NESMEYANOV INSTITUTE OF ORGANOELEMENT COMPOUNDS   (Russian Federation)

^c INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE   (Taiwan)

^d UNIVERSITY OF ULM   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMISTIC MODELS; COMPOSITE MODELS; EXPERIMENTAL DATA; EXPERIMENTAL STUDIES; GLASS TRANSITION TEMPERATURE; HYBRID NANOCOMPOSITES; LOW THERMAL EXPANSION; MATERIAL MODELS; MATRIX; MOLECULAR DYNAMICS SIMULATIONS; NORMAL CONDITION; TEMPERATURE RANGE; THERMAL PROPERTIES;

COMPOSITE MICROMECHANICS; GLASS TRANSITION; MOLECULAR DYNAMICS; NANOCOMPOSITES; POLYIMIDES; SILICON COMPOUNDS; THERMAL STRESS;

THERMAL EXPANSION;

EID: 76549096022     PISSN: 10221344     EISSN: 15213919     Source Type: Journal    
DOI: 10.1002/mats.200900052     Document Type: Article

References (62)

1. H. Fischer, Mater. Sci. Eng. C 2003, 23, 763.
2. J. Jordan, K. I. Jacob, R. Tannenbaum, M. A. Sharaf, I. Jasiuk, Mater. Sci. Eng. A 2005, 393, 1.
3. D. W. Schaefer, R. S. Justice, Macromolecules 2007, 40, 8501.
4. F. W. Starr, T. B. Schroeder, S. C. Glotzer, Phys. Rev. E 2001, 64, 021802.
5. A. M. Mayes, Nat. Mater. 2005, 4, 651.
6. A. Bansal, H. Yang, C. Li, K. Cho, B. C. Benicewicz, S. K. Kumar, L. S. Schadler, Nat. Mater. 2005, 4, 4693.
7. B. Frank, A. P. Gast, Macromolecules 1996, 29, 6531.
8. R. L. Jones, S. K. Kumar, D. L. Ho, R. M. Briber, T. P. Russell, Nature 1999, 400, 146.
9. S. K. Kumar, M. Vacatello, D. Y. Yoon, J. Chem. Phys. 1988, 9, 5206.
10. A. Yethiraj, C. K. Hall, Macromolecules 1990, 23, 1865.
11. D. S. Fryer, R. D. Peters, E. J. Kim, J. E. Tomaszewski, J. J. de Pablo, P. F. Nealey, Macromolecules 2001, 34, 5627.
12. C. H. Park, J. H. Kim, M. Ree, B.-H. Sohn, J. C. Jung, W.-C. Zin, Polymer 2004, 45, 4507.
13. C. B. Roth, K. L. Mc Nerny, W. F. Jager, J. M. Torkelson, Macromolecules 2007, 40, 2568.
14. D. N. Theodorou, Macromolecules 1988, 21, 1400.
15. S. K. Kumar, Macromolecules 1990, 23, 2189.
16. E. Hackett, E. Manias, E. P. Giannelis, Chem. Mater. 2000, 12, 2161.
17. D. Brown, P. Mélé, S. Marceau, N. D. Albérola, Macromolecules 2003, 36, 1395.
18. D. Barbier, D. Brown, A.-C. Cile Grillet, S. Neyertz, Macromolecules 2004, 37, 4695.
19. G. D. Smith, D. Bedrov, L. Li, O. Byutner, J. Chem. Phys. 2002, 117, 9478.
20. D. Qi, J. Hinkley, G. He, Model. Simul. Mater. Sci. Eng. 2005, 13, 493.
21. G. M. Odegard, T. C. Clancy, T. S. Gates, Polymer 2005, 46, 553.
22. W. Smith, T. R. Forester, J. Mol. Graph. 1996, 14, 136.
23. B. S. Hsiao, J. A. Kreuz, S. Z. D. Cheng, Macromolecules 1996, 29, 135.
24. S. Srinivas, F. E. Caputo, M. Graham, S. Gardner, R. M. Davis, J. E. Mc Grath, G. L. Wilkes, Macromolecules 1997, 30, 1012.
25. W. D. Cornell, P. Cieplak, C. I. Bayly, I. R. Gould, K. M. Merz, Jr., D. M. Ferguson, D. C. Spellmeyer, T. Fox, J. W. Caldwell, P. A. Kollman, J. Am. Chem. Soc. 1995, 117, 5179.
26. J. M. Wang, R. M. Wolf, J. W. Caldwell, P. A. Kollman, D. A. Case, J. Comput. Chem. 2004, 25, 1157.
27. H. Sun, D. Rigby, Spectrochim. Acta Part A 1997, 53, 1301.
28. J. S. Smith, O. Borodin, G. D. Smith, J. Phys. Chem. B 2004, 108, 20340.
29. T. C. Ionescu, F. Qi, C. Mc Cabe, A. Striolo, J. Kieffer, P. T. Cummings, J. Phys. Chem. B 2006, 110, 2502.
30. A. Pedone, G. Malavasi, M. C. Menziani, U. Segre, F. Musso, M. Corno, B. Civalleri, P. Ugliengo, Chem. Mater. 2008, 20, 2522.
31. M. G. Martin, Fluid Phase Equilib. 2006, 248, 50.
32. J. J. P. Stewart, J. Comput. Chem. 1989, 10, 201, 209.
33. W. Thiel, in: Modern Methods and Algorithms of Quantum Chemistry, Vol.1, J. Grotendorst, (Ed., John von Neumann Institute for Computing, NIC Series, Jülich 2000.
34. V. A. Basiuk, R. Navarro-González, Y. Benilan, F. Raulin, Spectrochim. Acta Part A 2001, 57, 505.
35. T. C. Clancy, Polymer 2004, 45, 7001.
36. P. Doruker, W. L. Mattice, Macromolecules 1997, 30, 5520.
37. P. V. Komarov, Y. T. Chiu, S.-M. Chen, P. G. Khalatur, P. Reineker, Macromolecules 2007, 40, 8104.
38. W. G. Hoover, Phys. Rev. A 1985, 31, 1695.
39. S. Nose, Mol. Phys. 1986, 57, 187.
40. P. P. Ewald, Ann. Phys. 1921, 64, 253.
41. M. P. Allen, D. J. Tildesley, Computer Simulation of Liquids, Clarendon Press, Oxford 1989.
42. R. J. Roe, Computer Simulation of Polymer, Prentice-Hall, Englewood Cliffs 1991.
43. D. Rigby, R. J. Roe, J. Chem. Phys. 1987, 87, 7285.
44. R. H. Boyd, P. V. K. Pant, Macromolecules 1991, 24, 4078.
45. K. F. Mansfield, D. N. Theodorou, Macromolecules 1991, 24, 6283.
46. N. C. Ekdawi-Sever, P. B. Conrad, J. J. de Pablo, J. Phys. Chem. A 2001, 105, 734.
47. J. Pozuelo, J. Baselga, Polymer 2002, 43, 6049.
48. H. Morita, K. Tanaka, T. Kajiyama, T. Nishi, M. Doi, Macromolecules 2006, 39, 6233.
49. G. Rabilloud, High-Performance Polymers: Chemistry and Applications, Editions Technip, Paris 2000.
50. A. F. Wells, Structural Inorganic Chemistry, 5th edition, Clarendon Press, Oxford 1984.
51. I.-S. Chuang, G. E. Maciel, J. Phys. Chem. B 1997, 101, 3052.
52. J. B. Nicholas, A. C. Hess, J. Am. Chem. Soc. 1994, 116, 5428.
53. B. W. H. Van Beest, G. J. Kramer, R. A. Van Santen, Phys. Rev. Lett. 1990, 64, 1955.
54. B. K. Vainshtein, V. M. Fridkin, V. L. Indenbom, Modern Crystallography: Structure of Crystals, 3rd edition, Springer, Heidelberg 2000.
55. F. Aumento, Am. Mineral. 1966, 51, 1167.
56. M. H. Ford, S. M. Auerbach, P. A. Monson, JCP 2004, 121, 8415.
57. H. Wang, W. Zhong, P. Xu, Q. Du, Macromol. Mater. Eng. 2004, 289, 793.
58. X.-G. Chen, J.-D. Guo, B. Zheng, Y.-Q. Li, S.-Y. Fu, G.-H. He, Compos. Sci. Technol. 2007, 67, 3006.
59. Y.-Q. Rao, T. N. Blanton, Macromolecules 2008, 41, 935.
60. D. Argyris, N. R. Tummala, A. Striolo, D. R. Cole, J. Phys. Chem. C 2008, 112, 13587.
61. Y. Qin, X. Yang, Y. Zhu, J. Ping, J. Phys. Chem. C 2008, 112, 12815.
62. J. N. Israelashvili, Intermolecular and Surface Forces, Academic Press Limited, London 1985.