Molecular dynamics simulation of polymer fine particles. Physical and mechanical properties

Polymer Journal

Volumn 31, Issue 8, 1999, Pages 664-671

  Fukui, Kazuhiko ^a   Sumpter, Bobby G ^a   Barnes, Michael D ^a   Noid, Donald W ^a  

^a OAK RIDGE NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; GLASS TRANSITION; MELTING; MOLECULAR DYNAMICS; MOLECULAR STRUCTURE; NANOSTRUCTURED MATERIALS; PARTICLE SIZE ANALYSIS; PARTICLES (PARTICULATE MATTER); POWDERS; SPECIFIC HEAT OF SOLIDS;

COMPRESSIVE MODULUS;

POLYETHYLENES;

EID: 0032598001     PISSN: 00323896     EISSN: None     Source Type: Journal    
DOI: 10.1295/polymj.31.664     Document Type: Article

References (58)

1. N. Ichinose, Y. Ozaki, and S. Kashu, "Superfine Particle Technology," Springer-Verlag, London, 1992.
2. C. Hayashi, R. Uyeda, and A. Tasaki, "Ultra-Fine Particles Technology," Noyes, New Jersey, 1997.
3. C-Y. Kung, M. D. Barnes, B. G. Sumpter, D. W. Noid, and J. U. Otaigbe, Polym. Prepr., Am. Chem. Soc., Div. Polym. Chem., 39, 610 (1998).
4. M. D. Barnes, C.-Y. Kung, N. Lermer, K. Fukui, B. G. Sumpter, and D. W. Noid, Opt. Lett., 24, 121 (1999).
5. D. N. Theodorou and U. W. Suter, Macromolecules, 18, 1467 (1985).
6. D. N. Theodorou and U. W. Suter, Macromolecules, 19, 139 (1986).
7. D. Brown and J. H. R. Clarke, Macromolecules, 24, 2075 (1991).
8. H. A. S. Argon and U. W. Suter, Macromolecules, 26, 1097 (1993).
9. C. F. Fan, T. Cagin, Z. M. Chen, and K. A. Smith, Macromolecules, 27, 2383 (1994).
10. C. F. Fan and S. L. Hsu, Macromolecules, 25, 266 (1992).
11. Z. Sun, R. J. Morgan, and D. N. Lewis, Polymer, 33, 2179 (1991).
12. D. W. Noid and G. A. Pfeffer, J. Polym. Sci., Part B, 27, 2321 (1989).
13. Y. Jin and R. H. Boyd, J. Chem. Phys., 108, 9912 (1998).
14. A. Koike, Macromolecules, 31, 4605 (1998).
15. M. Fukuda and S. Kuwajima, J. Chem. Phys., 107, 2149 (1997).
16. D. N. Theodorou, Macromolecules, 22, 4578 (1989).
17. J. Hautman and M. L. Klein, Phys. Rev. Lett., 67, 1763 (1991).
18. W. Mar and M. Klein, J. Phys. Condensed Matter, 6, A381 (1994).
19. D. N. Theodorou, J. Am. Chem. Soc., 22, 4578 (1989).
20. X. Yang and X. Mao, Comput. Them. Polym. Sci., 7, 81 (1997).
21. C. Liu and M. Muthukumar, J. Chem. Phys., 103, 9053 (1995).
22. Y. Zhan and W. L. Mattice, Macromolecules, 27, 7056 (1994).
23. D. He, D. H. Reneker, and W. L. Mattice, Comput. Theor. Polym. Sci., 7, 19 (1997).
24. M. L. Klein, Annu. Rev. Phys. Chem., 36, 525 (1985).
25. W. G. Hoover, Annu. Rev. Phys. Chem., 34, 103 (1983).
26. D. W. Noid, B. G. Sumpler, B. Wunderlich, and G. A. Pfeffer, J. Comp. Chem., 11, 236 (1990).
27. S. K. Gray, D. W. Noid, and B. G. Sumpter, J. Chem. Phys., 101, 4062 (1994).
28. S. N. Kreitmeier, G. L. Liang, D. W. Noid, and B. G. Sumpter, J. Thermal Anal., 46, 853 (1966).
29. B. G. Sumpter, D. W. Noid, and B. Wunderlich, J. Chem. Phys., 93, 6875 (1990).
30. R. H. Boyd and S. M. Breitling, Macromolecules, 7, 855 (1974).
31. C-Y. Kung, M. D. Barnes, N. Lermer, W. B. Whitten, and J. M. Ramsey, Anal. Chem., 70, 658 (1998).
32. M. D. Barnes, N. Lermer, C-Y. Kung, W. B. Whitten, and J. M. Ramsey, Optics Lett., 22, 1265 (1997).
33. M. D. Barnes, N. Lermer, W. B. Whitten, and J. M. Ramsey, Rev. Sci. Instruments, 68, 2287 (1997).
34. K. Fukui, B. G. Sumpter, M. D. Barnes, D. W. Noid, and J. U. Otaigbe, Macromol. Theory Simul., 8, 38 (1999).
35. K. Fukui, B. K., Sumpter, M. D., Barnes, D. W. Noid, and J. U. Otaigbe, Comput. Theor. Polym. Sci., in press.
36. G. Tanaka and W. L. Mattice, Macromolecules, 28, 1049 (1995).
37. A. Michel and S. Kreitmer, Comput. Theor. Polym. Sci., 7, 113 (1997).
38. T. A. Kacassalis and P. R. Sundarajan, Macromolecules, 26, 4144 (1993).
39. U. Burkert, N. L. Allinger, "Molecular Mechanics," American Chemical Society, Washington, D.C., 1982.
40. G. J. Martyna, M. L. Klein, and M. Tuckerman, J. Chem. Phys., 97, 2635 (1992).
41. K. Fukui, J. I. Cline, and J. H. Frederick, J. Chem. Phys., 107, 4551 (1997).
42. M. L. Connolly, J. Am. Chem. Soc., 107, 1118 (1993).
43. J. Doucet and J. Weber, "Computer-Aided Molecular Design: Theory and Applications," Academic Press Inc., San Diego, 1996.
44. T. Hor, W. Wade Adams, R. Pachter, and P. Haaland, Polymer, 34, 2481 (1993).
45. B. Crist and P. G. Herena, J. Polym. Sci., Part B, Polym. Phys., 34, 449 (1996).
46. S. Suhai, J. Polym. Sci., Polym. Phys. Ed., 21, 1341 (1983).
47. R. J. Meier, Macromolecules, 26, 4376 (1993).
48. J. C. L. Hageman, R. J. Meier, M. Heinemann, and R. A. de Groot, Macromolecules, 30, 5953 (1997).
49. M. Lewis and D. C. Rees, Science, 230, 1163 (1985).
50. J.-H. Choi, H. Kim, and S. Lee, J. Chem. Phys., 109, 7001 (1998).
51. P. V. Krishna Pant and R. H. Boyd, Macromolecules, 26, 679 (1993).
52. H. Noguchi and K. Yoshikawa, J. Chem. Phys., 109, 5070 (1998).
53. J. Shoemaker, T. Horn, P. Haaland, R. Pachter, and W. W. Adams, Polymer, 33, 3351 (1992).
54. L. E. Nielen, "Mechanical Properties of Polymers and Composites," Marcel Dekker, Inc., New York, N.Y., 1974.
55. D. Porte, "Group Interaction Modelling of Polymer Properties," Marcel Dekker, Inc., New York, N.Y., 1995.
56. K. Fukui, B. G. Sumpter, C.-Y. Kung, M. D. Barnes, and D. W. Noid, Chem. Phys., in press.
57. K. Fukui, B. G. Sumpter, M. D. Barnes, and D. W. Noid, in preparation.
58. N. Karasawa, S. Dasgupta, and W. A. Goddard, III, J. Phys. Chem., 95, 2260 (1991).