Coarse-grained molecular dynamics study of block copolymer/nanoparticle composites under elongational flow

Journal of Chemical Physics

Volumn 131, Issue 21, 2009, Pages

  Kalra, Vibha ^a   Joo, Yong Lak ^a  

^a Cornell University   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COARSE-GRAINED; COARSE-GRAINED MOLECULAR DYNAMICS; DIBLOCK COPOLYMER; DIBLOCKS; ELONGATION RATES; ELONGATIONAL FLOW; FLOW-INDUCED TRANSITION; INTERACTION POTENTIALS; MORPHOLOGY TRANSITIONS; NONEQUILIBRIUM MOLECULAR DYNAMICS; PERIODIC BOUNDARY CONDITIONS; PLANAR ELONGATIONAL FLOWS; POLYMER INTERACTIONS; SIMULATION TIME;

BLOCK COPOLYMERS; COPOLYMERIZATION; MOLECULAR DYNAMICS; MORPHOLOGY; MULTIPHASE FLOW; POLYMERS; SIMULATORS;

FLOW SIMULATION;

EID: 72049118751     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3266511     Document Type: Article

References (51)

1. C. Park, J. Yoon, and E. L. Thomas, Polymer 0032-3861 44, 6725 (2003). 10.1016/j.polymer.2003.08.011 (Pubitemid 37210458)
2. M. R. Bockstaller, R. A. Mickiewicz, and E. L. Thomas, Adv. Mater. (Weinheim, Ger.) 0935-9648 17, 1331 (2005). 10.1002/adma.200500167 (Pubitemid 40833813)
3. G. A. Buxton and A. C. Balazs, Phys. Rev. E 1063-651X 67, 031802 (2003). 10.1103/PhysRevE.67.031802
4. A. K. Khandpur, S. Forster, F. S. Bates, I. W. Hamley, A. J. Ryan, W. Bras, K. Almdal, and K. Mortensen, Macromolecules 0024-9297 28, 8796 (1995). 10.1021/ma00130a012
5. V. Pryamitsyn and V. Ganesan, Macromolecules 0024-9297 39, 8499 (2006). 10.1021/ma0613382 (Pubitemid 46079692)
6. A. C. Balazs, T. Emrick, and T. P. Russell, Science 0036-8075 314, 1107 (2006). 10.1126/science.1130557 (Pubitemid 44789033)
7. I. W. Hamley, Angew. Chem., Int. Ed. 1433-7851 42, 1692 (2003). 10.1002/anie.200200546 (Pubitemid 36569226)
8. R. Shenhar, T. B. Norsten, and V. Rotello, Adv. Mater. (Weinheim, Ger.) 0935-9648 17, 657 (2005). 10.1002/adma.200401291 (Pubitemid 40407567)
9. J. J. Chiu, J. K. Bumjoon, E. J. Kramer, and D. J. Pine, J. Am. Chem. Soc. 0002-7863 127, 5036 (2005). 10.1021/ja050376i (Pubitemid 40523460)
10. B. J. Kim, G. H. Fredrickson, C. J. Hawker, and E. J. Kramer, Langmuir 0743-7463 23, 7804 (2007). 10.1021/la700507j (Pubitemid 47116449)
11. R. B. Thompson, V. V. Ginzburg, M. W. Matsen, and A. C. Balazs, Science 0036-8075 292, 2469 (2001). 10.1126/science.1060585 (Pubitemid 32601655)
12. A. J. Schultz, C. K. Hall, and J. Genzer, Macromolecules 0024-9297 38, 3007 (2005). 10.1021/ma0496910 (Pubitemid 40496794)
13. V. Kalra, S. Mendez, F. Escobedo, and Y. L. Joo, J. Chem. Phys. 0021-9606 128, 164909 (2008). 10.1063/1.2911690 (Pubitemid 351620577)
14. H. Huh, V. V. Ginzburg, and A. C. Balazs, Macromolecules 0024-9297 33, 8085 (2000). 10.1021/ma000708y (Pubitemid 30969314)
15. V. Kalra, P. A. Kakad, S. Mendez, T. Ivannikov, M. Kamperman, and Y. L. Joo, Macromolecules 0024-9297 39, 5453 (2006). 10.1021/ma052643a (Pubitemid 44325124)
16. V. Kalra, S. Mendez, J. H. Lee, H. Nguyen, M. Marquez, and Y. L. Joo, Adv. Mater. (Weinheim, Ger.) 0935-9648 18, 3299 (2006). 10.1002/adma.200601948 (Pubitemid 46080232)
17. Y. Dzenis, Science 0036-8075 304, 1917 (2004). 10.1126/science.1099074 (Pubitemid 38822175)
18. B. D. Li and Y. Xia, Adv. Mater (Weinheim, Ger). 16, 1151 (2004). 10.1002/adma.200400719 0935-9648
19. P. Micic and S. N. Bhattacharya, Polym. Eng. Sci. 0032-3888 40, 1571 (2000). 10.1002/pen.11287
20. P. Micic and S. N. Bhattacharya, Polym. Int. 0959-8103 49, 1580 (2000). 10.1002/1097-0126(200012)49:12<1580::AID-PI547>3.0.CO;2-Q
21. P. Micic, S. N. Bhattacharya, and G. Field, Int. Polym. Process. 0930-777X 12, 110 (1997).
22. Y. K. Kwon, Y. S. Ko, and M. Okamoto, Polymer 0032-3861 49, 2334 (2008). 10.1016/j.polymer.2008.03.002
23. R. Seguela and J. P. Homme, Macromolecules 0024-9297 14, 197 (1981). 10.1021/ma50002a041
24. T. Pakula, K. Saijo, H. Kawai, and T. Hashimoto, Macromolecules 0024-9297 18, 1294 (1985). 10.1021/ma00148a044
25. C. Daniel, I. W. Hamley, and K. Mortensen, Polymer 0032-3861 41, 9239 (2000). 10.1016/S0032-3861(00)00308-6
26. M. N. Hounkonnou, C. Pierleoni, and J. P. Ryckaert, J. Chem. Phys. 0021-9606 97, 9335 (1992). 10.1063/1.463310
27. P. J. Daivis and B. D. Todd, Int. J. Thermophys. 0195-928X 19, 1063 (1998). 10.1023/A:1022629407178
28. B. D. Todd and P. J. Daivis, J. Chem. Phys. 0021-9606 107, 1617 (1997). 10.1063/1.474512
29. A. M. Kraynik and D. A. Reinelt, Int. J. Multiphase Flow 0301-9322 18, 1045 (1992). 10.1016/0301-9322(92)90074-Q (Pubitemid 23599010)
30. B. D. Todd and P. J. Daivis, Phys. Rev. Lett. 0031-9007 81, 1118 (1998). 10.1103/PhysRevLett.81.1118
31. B. D. Todd and P. J. Daivis, Comput. Phys. Commun. 0010-4655 117, 191 (1999). 10.1016/S0010-4655(98)00178-7
32. P. J. Daivis, M. L. Matin, and B. D. Todd, J. Non-Newtonian Fluid Mech. 0377-0257 111, 1 (2003). 10.1016/S0377-0257(03)00011-9 (Pubitemid 36405715)
33. P. J. Daivis, M. L. Matin, and B. D. Todd, J. Non-Newtonian Fluid Mech. 0377-0257 147, 35 (2007). 10.1016/j.jnnfm.2007.06.005 (Pubitemid 47570793)
34. W. Bruns and R. Bansal, J. Chem. Phys. 0021-9606 74, 2064 (1981). 10.1063/1.441253
35. J. D. Weeks, D. Chandler, and H. C. Anderson, J. Chem. Phys. 0021-9606 54, 5237 (1971). 10.1063/1.1674820
36. M. A. Horsch, Z. Zhang, C. R. Iacovella, and S. Glotzer, J. Chem. Phys. 0021-9606 121, 11455 (2004). 10.1063/1.1814976 (Pubitemid 40020684)
37. B. D. Todd and P. J. Daivis, J. Chem. Phys. 0021-9606 112, 40 (2000). 10.1063/1.480642
38. T. Kairn, P. J. Daivis, M. L. Matin, and I. K. Snook, Polymer 0032-3861 45, 2453 (2004). 10.1016/j.polymer.2003.12.034 (Pubitemid 38293197)
39. V. Kalra, J. Lee, J. H. Lee, S. G. Lee, M. Marquez, U. Wiesner, and Y. L. Joo, Small 1613-6810 4, 2067 (2008). 10.1002/smll.200800279
40. H. Leist, D. Maring, T. Thurn-Albrecht, and U. Wiesner, J. Chem. Phys. 0021-9606 110, 8225 (1999). 10.1063/1.478734
41. D. Maring and U. Wiesner, Macromolecules 0024-9297 30, 660 (1997). 10.1021/ma961234z
42. M. P. Allen and D. J. Tildesley, Computer Simulation of Liquids (Oxford University Press, New York, 1987).
43. M. L. Matin, P. J. Daivis, and B. D. Todd, J. Chem. Phys. 0021-9606 113, 9122 (2000). 10.1063/1.1319379 (Pubitemid 32033378)
44. K. P. Travis, P. J. Davis, and D. J. Evans, J. Chem. Phys. 0021-9606 103, 10638 (1995). 10.1063/1.469850
45. K. P. Travis, P. J. Davis, and D. J. Evans, J. Chem. Phys. 0021-9606 103, 1109 (1995). 10.1063/1.469821
46. H. Guo, J. Chem. Phys. 0021-9606 124, 054902 (2006). 10.1063/1.2161198 (Pubitemid 43202724)
47. H. Guo, J. Chem. Phys. 0021-9606 125, 214902 (2006). 10.1063/1.2400232 (Pubitemid 44907428)
48. K. Kremer and G. S. Grest, J. Chem. Phys. 0021-9606 92, 5057 (1990). 10.1063/1.458541
49. V. K. Gupta, R. Krishnamoorti, J. A. Kornfield, and S. D. Smith, Macromolecules 0024-9297 28, 4464 (1995). 10.1021/ma00117a015
50. V. K. Gupta, R. Krishnamoorti, Z. -R. Chen, J. A. Kornfield, S. D. Smith, M. M. Satkowski, and J. T. Grothaus, Macromolecules 0024-9297 29, 875 (1996). 10.1021/ma950925c
51. Z. -R. Chen, J. A. Kornfield, S. D. Smith, J. T. Grothaus, and M. M. Satkowski, Science 0036-8075 277, 1248 (1997). 10.1126/science.277.5330.1248 (Pubitemid 27449066)