Molecular dynamics simulation of orientation and crystallization of polyethylene during uniaxial extension

Polymer

Volumn 44, Issue 5, 2003, Pages 1771-1779

  Lavine, Marc S ^a   Waheed, Numan ^a   Rutledge, Gregory C ^a  

^a Massachusetts Institute of Technology Cambridge   (United States)

Author keywords

Crystallization; Molecular dynamics; Nucleation

Indexed keywords

ATOMS; COMPUTER SIMULATION; CRYSTALLIZATION; DEFORMATION; MOLECULAR DYNAMICS; MOLECULAR ORIENTATION; NUCLEATION; STRESSES;

ISOTHERMAL DEFORMATION;

POLYETHYLENES;

CARBON; POLYETHYLENE;

ACCELERATION; ARTICLE; ATOM; CHEMICAL COMPOSITION; COOLING; CRYSTALLIZATION; DENSITY; LOW TEMPERATURE; MELTING POINT; MOLECULAR DYNAMICS; MOLECULAR MODEL; PARAMETER; PHASE TRANSITION; SIMULATION; STRESS; STRETCHING; TEMPERATURE DEPENDENCE;

CRYSTALLINE ORIENTATION; CRYSTALLINITY; MOLECULAR STRUCTURE; POLYETHYLENE;

EID: 0037429328     PISSN: 00323861     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0032-3861(03)00017-X     Document Type: Article

References (46)

1. Lin L, Argon AS. J Mater Sci 1994;29(2):294-323.
2. Al-Hussein M, Davies GR, Ward IM. J Polym Sci B 2000;38(5):755-64.
3. Sorensen RA, Liao WB, Kesner L, Boyd RH. Macromolecules 1988;21(1):200-8.
4. Tashiro K. Prog Polym Sci 1993;18(3):377-435.
5. Lacks DJ, Rutledge GC. J Phys Chem 1994;98(4):1222-31.
6. Martonak R, Paul W, Binder K. Phys Rev E 1998;57(2):2425-37.
7. Rutledge GC, Lacks DJ, Martonak R, Binder K. J Chem Phys 1998;108(24):10274-80.
8. Balijepalli S, Rutledge GC. J Chem Phys 1998;109(16):6523-6.
9. Balijepalli S, Rutledge GC. Comput Theor Polym Sci 2000;10(1-2):103-13.
10. Gautam S, Balijepalli S, Rutledge GC. Macromolecules 2000;33(24):9136-45.
11. Strobl GR. The physics of polymers, 2nd ed. Berlin: Springer; 1997.
12. Hu W, Albrecht T, Strobl G. Macromolecules 1999;32(22):7548-54.
13. Yamamoto T. J Chem Phys 1997;107(7):2653-63.
14. Yamamoto T. J Chem Phys 1998;109(11):4638-45.
15. Takeuchi H. J Chem Phys 1998;109(13):5614-21.
16. Esselink K, Hilbers PAJ, Beest BWHV. J Chem Phys 1994;101(10):9033-41.
17. Waheed N, Lavine MS, Rutledge GC. J Chem Phys 2002;116(5):2301-9.
18. Liu C, Muthukumar M. J Chem Phys 1998;109(6):2536-42.
19. Kavassalis TA, Sundararajan PR. Macromolecules 1993;26(16):4144-50.
20. Goldbeck-Wood G. In: Dosière M, editor. Crystallization of polymers. Netherlands: Kluwer Academic Publisher; 1993. p. 249-55.
21. Chen C-M, Higgs PG. J Chem Phys 1998;108(10):4305-14.
22. Armistead K, Goldbeck-Wood G. Adv Polym Sci 1992;100:219-312.
23. Doye JPK, Frenkel D. J Chem Phys 1998;109(22):10033-41.
24. Shimizu J, Okui N, Kikutani T. In: Ziabicki A, Kawai H, editors. High-speed fiber spinning: science and engineering aspects. New York: Wiley; 1985. p. 429-83; Chapter 15.
25. Peterlin A. In: Miller RL, editor. Flow-induced crytallization in polymer systems. New York: Gordon and Breach Science Publishers; 1979. p. 1-29.
26. Ziabicki A. Fundamentals of fibre formation. London: Wiley; 1975.
27. Allen MP, Tildesley DJ. Computer simulation of liquids. Oxford: Clarendon Press; 1987.
28. Paul W, Yoon DY, Smith GD. J Chem Phys 1995;103(4):1702-9.
29. Mavrantzas VG, Theodorou DN. Macromolecules 1998;31(18):6310-32.
30. Harmandaris VA, Mavrantzas VG, Theodorou DN. Macromolecules 1998;31(22):7934-43.
31. Miura T, Kishi R, Makami MYT. Phys Rev E 2001;63:061807.
32. Fujiwara S, Sato T. Phys Rev Lett 1998;80(5):991-4.
33. Mayo SL, Olafson BD, Goddard III WA. J Phys Chem 1990;94(26):8897-909.
34. Horton JC, Squires GL, Boothroyd AT, Fetters LJ, Rennie RJ, Glinka CJ, Robinson RA. Macromolecules 1989;22(2):681-6.
35. Muthukumar M, Welch P. Polymer 2000;41(25):8833.
36. Welch P, Muthukumar M. Phys Rev Lett 2001;87:218302.
37. Berendsen HJC, Postma JPM, van Gunsteren WF, DiNola A, Haak JR. J Chem Phys 1984;81(8):3684-90.
38. X Mol. NetworkCS; 1993.
39. Kremer K, Grest GS. J Chem Phys 1990;92(8):5057-86.
40. Paul W, Smith GD, Yoon DY. Macromolecules 1997;30(25):7772-80.
41. Ward IM, Hadley DW. An introduction to the mechanical properties of solid polymers. New York: Wiley; 1993.
42. Blundell DJ, MacKerron DH, Fuller W, Mahendrasingam A, Martin C, Oldman RJ, Rule RJ, Riekel C. Polymer 1996;37(15):3303-11.
43. Blundell DJ, Mahendrasingam A, Martin C, Fuller W, MacKerron DH, Harvie JL, Oldman RJ, Riekel C. Polymer 2000;41(21):7793-802.
44. Mahendrasingam A, Martin C, Fuller W, Blundell DJ, Oldman RJ, Harvie JL, MacKerron DH, Riekel C, Engström P. Polymer 1999;40(20):5553-65.
45. Mahendrasingam A, Martin C, Fuller W, Blundell DJ, Oldman RJ, MacKerron DH, Harvie JL, Riekel C. Polymer 2000;41(3):1217-21.
46. Mahendrasingam A, Blundell DJ, Martin C, Fuller W, MacKerron DH, Harvie JL, Oldman RJ, Riekel C. Polymer 2000;41(21):7803-14.