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Molecular dynamics simulations of glassy polymers

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Barrat, Jean-Louis, Baschnagel, Jörg, Lyulin, Alexey·2010·Soft Matter
DOI 10.1039/b927044b
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Abstract

We review recent results from computer simulation studies of polymer glasses, from the chain dynamics around the glass transition temperature Tg to the mechanical behaviour below Tg. These results clearly show that modern computer simulations are able to address and give clear answers to some important issues in the field, in spite of the obvious limitations in terms of length and time scales. In the present review we discuss the cooling rate effects, and the dynamic slowing down of different relaxation processes when approaching Tg for both model and chemistry-specific polymer glasses. The impact of geometric confinement on the glass transition is discussed in detail. We also show that computer simulations are very useful tools to study structure and mechanical response of glassy polymers. The influence of large deformations on mechanical behaviour of polymer glasses in general, and strain hardening effect in particular are reviewed. Finally, we suggest some directions for future research, which we believe will be soon within the capabilities of state of the art computer simulations, and correspond to problems of fundamental interest.

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Research works printed but not linked: 101

  1. Muthukumar, 2003, Adv. Chem. Phys., 128, 1
  2. Sundararajan, 1985, Can. J. Chem., 63, 103, 10.1139/v85-018 · doi:10.1139/v85-018
  3. Fredrickson, 2008, Nat. Mater., 7, 261, 10.1038/nmat2148 · doi:10.1038/nmat2148
  4. Alcoutlabi, 2005, J. Phys.: Condens. Matter, 17, R461
  5. Rottler, 2009, J. Phys.: Condens. Matter, 21, 463101
  6. Binder, 2002, J. Non-Cryst. Solids, 307–310, 1, 10.1016/S0022-3093(02)01433-3 · doi:10.1016/s0022-3093(02)01433-3
  7. Binder, 2004, Phys. Complex Systems (new Adv. Perspectives), 155, 17
  8. Baschnagel, 2005, J. Phys.: Condens. Matter, 17, R851
  9. Heuer, 2008, J. Phys.: Condens. Matter, 20, 373101
  10. Vallee, 2007, J. Chem. Phys., 127, 154903, 10.1063/1.2794334 · doi:10.1063/1.2794334
  11. Vallee, 2006, Phys. Rev. Lett., 97, 217801, 10.1103/PhysRevLett.97.217801 · doi:10.1103/physrevlett.97.217801
  12. Colmenero, 2003, J. Phys.: Condens. Matter, 15, S1127
  13. Lyulin, 2007, Phys. Rev. Lett., 99, 085504, 10.1103/PhysRevLett.99.085504 · doi:10.1103/physrevlett.99.085504
  14. Smith, 2004, J. Chem. Phys., 121, 4961, 10.1063/1.1781114 · doi:10.1063/1.1781114
  15. Paul, 2006, Phys. Rev. E: Stat., Nonlinear, Soft Matter Phys., 74, 021501, 10.1103/PhysRevE.74.021501 · doi:10.1103/physreve.74.021501
  16. Smith, 2007, J. Polym. Sci., Part B: Polym. Phys., 45, 627, 10.1002/polb.21064 · doi:10.1002/polb.21064
  17. Colmenero, 2007, J. Phys.: Condens. Matter, 19, 205127
  18. Narros, 2008, J. Chem. Phys., 128, 224905, 10.1063/1.2937733 · doi:10.1063/1.2937733
  19. Vogel, 2008, Macromolecules, 41, 2949, 10.1021/ma7024072 · doi:10.1021/ma7024072
  20. Kob, 1999, J. Phys.: Condens. Matter, 11, R85
  21. Dotson, 2008, J. Chem. Phys., 128, 184905, 10.1063/1.2912054 · doi:10.1063/1.2912054
  22. Bernabei, 2008, Phys. Rev. Lett., 101, 255701, 10.1103/PhysRevLett.101.255701 · doi:10.1103/physrevlett.101.255701
  23. Binder, 2004, J. Phys.: Condens. Matter, 16, S429
  24. De Michele, 2002, Phys. Rev. E: Stat., Nonlinear, Soft Matter Phys., 65, 051202, 10.1103/PhysRevE.65.051202 · doi:10.1103/physreve.65.051202
  25. Yan, 2004, Phys. Rev. Lett., 92, 235701, 10.1103/PhysRevLett.92.235701 · doi:10.1103/physrevlett.92.235701
  26. Vollmayr, 1996, J. Chem. Phys., 105, 4714, 10.1063/1.472326 · doi:10.1063/1.472326
  27. Dudowicz, 2007, Adv. Chem. Phys., 137, 125
  28. Schweizer, 2007, Curr. Opin. Colloid Interface Sci., 12, 297, 10.1016/j.cocis.2007.07.013 · doi:10.1016/j.cocis.2007.07.013
  29. Keys, 2007, Nat. Phys., 3, 260, 10.1038/nphys572 · doi:10.1038/nphys572
  30. Brodeck, 2009, J. Chem. Phys., 130, 094908, 10.1063/1.3077858 · doi:10.1063/1.3077858
  31. Aichele, 2001, Eur. Phys. J. E, 5, 229, 10.1007/s101890170078 · doi:10.1007/s101890170078
  32. Götze, 1999, J. Phys.: Condens. Matter, 11, A1
  33. Mayer, 2006, Phys. Rev. Lett., 97, 095702, 10.1103/PhysRevLett.97.095702 · doi:10.1103/physrevlett.97.095702
  34. Kim, 2008, J. Stat. Mech.: Theory Exp., 2008, P02004, 10.1088/1742-5468/2008/02/P02004 · doi:10.1088/1742-5468/2008/02/p02004
  35. Szamel, 2007, J. Chem. Phys., 127, 084515, 10.1063/1.2759487 · doi:10.1063/1.2759487
  36. Andreanov, 2009, Europhys. Lett., 88, 16001, 10.1209/0295-5075/88/16001 · doi:10.1209/0295-5075/88/16001
  37. Chen, 2009, J. Phys.: Condens. Matter, 21, 503101
  38. Signorini, 1990, J. Chem. Phys., 92, 1294, 10.1063/1.458139 · doi:10.1063/1.458139
  39. Moreno, 2007, J. Phys.: Condens. Matter, 19, 466112
  40. Chong, 2002, Phys. Rev. Lett., 88, 185702, 10.1103/PhysRevLett.88.185702 · doi:10.1103/physrevlett.88.185702
  41. Flenner, 2005, Phys. Rev. E: Stat., Nonlinear, Soft Matter Phys., 72, 011205, 10.1103/PhysRevE.72.011205 · doi:10.1103/physreve.72.011205
  42. Flenner, 2005, Phys. Rev. E: Stat., Nonlinear, Soft Matter Phys., 72, 031508, 10.1103/PhysRevE.72.031508 · doi:10.1103/physreve.72.031508
  43. Foffi, 2004, Phys. Rev. E: Stat., Nonlinear, Soft Matter Phys., 69, 011505, 10.1103/PhysRevE.69.011505 · doi:10.1103/physreve.69.011505
  44. Voigtmann, 2004, Phys. Rev. E: Stat., Nonlinear, Soft Matter Phys., 70, 061506, 10.1103/PhysRevE.70.061506 · doi:10.1103/physreve.70.061506
  45. Merabia, 2002, Eur. Phys. J. E, 9, 195, 10.1140/epje/i2002-10084-2 · doi:10.1140/epje/i2002-10084-2
  46. Kumar, 2006, J. Chem. Phys., 124, 214501, 10.1063/1.2192769 · doi:10.1063/1.2192769
  47. Glotzer, 2000, J. Non-Cryst. Solids, 274, 342, 10.1016/S0022-3093(00)00225-8 · doi:10.1016/s0022-3093(00)00225-8
  48. Berthier, 2007, J. Chem. Phys., 126, 184504, 10.1063/1.2721555 · doi:10.1063/1.2721555
  49. Alba-Simionesco, 2006, J. Phys.: Condens. Matter, 18, R15
  50. Sharp, 2003, Phys. Rev. E: Stat., Nonlinear, Soft Matter Phys., 67, 031805, 10.1103/PhysRevE.67.031805 · doi:10.1103/physreve.67.031805
  51. Forrest, 2002, Eur. Phys. J. E, 8, 129, 10.1140/epje/i2000-10102-5 · doi:10.1140/epje/i2000-10102-5
  52. Herminghaus, 2001, Eur. Phys. J. E, 5, 531, 10.1007/s101890170036 · doi:10.1007/s101890170036
  53. Fukao, 2001, Phys. Rev. E: Stat., Nonlinear, Soft Matter Phys., 64, 011803, 10.1103/PhysRevE.64.011803 · doi:10.1103/physreve.64.011803
  54. Kim, 2001, Langmuir, 17, 2703, 10.1021/la001125k · doi:10.1021/la001125k
  55. Tsui, 2001, Macromolecules, 34, 9139, 10.1021/ma0102159 · doi:10.1021/ma0102159
  56. Lupaşcu, 2006, J. Non-Cryst. Solids, 352, 5594, 10.1016/j.jnoncrysol.2006.09.004 · doi:10.1016/j.jnoncrysol.2006.09.004
  57. Napolitano, 2007, J. Phys. Chem. B, 111, 9197, 10.1021/jp072868i · doi:10.1021/jp072868i
  58. Efremov, 2004, Macromolecules, 37, 4607, 10.1021/ma035909r · doi:10.1021/ma035909r
  59. Fakhraai, 2005, Phys. Rev. Lett., 95, 025701, 10.1103/PhysRevLett.95.025701 · doi:10.1103/physrevlett.95.025701
  60. Fukao, 2003, Eur. Phys. J. E, 12, 119, 10.1140/epje/i2003-10030-x · doi:10.1140/epje/i2003-10030-x
  61. Napolitano, 2008, Macromolecules, 41, 1061, 10.1021/ma702081w · doi:10.1021/ma702081w
  62. Serghei, 2006, Macromolecules, 39, 9385, 10.1021/ma061290s · doi:10.1021/ma061290s
  63. Serghei, 2007, J. Non-Cryst. Solids, 353, 4330, 10.1016/j.jnoncrysol.2007.01.080 · doi:10.1016/j.jnoncrysol.2007.01.080
  64. Scheidler, 2003, Computer Simulations Surfaces Interfaces, 114, 297, 10.1007/978-94-010-0173-1_17 · doi:10.1007/978-94-010-0173-1_17
  65. Scheidler, 2004, J. Phys. Chem. B, 108, 6673, 10.1021/jp036593s · doi:10.1021/jp036593s
  66. Gallo, 2002, Europhys. Lett., 57, 212, 10.1209/epl/i2002-00563-6 · doi:10.1209/epl/i2002-00563-6
  67. Jain, 2004, Phys. Rev. Lett., 92, 155505, 10.1103/PhysRevLett.92.155505 · doi:10.1103/physrevlett.92.155505
  68. Jain, 2002, Macromolecules, 35, 2167, 10.1021/ma011820e · doi:10.1021/ma011820e
  69. Bohme, 2002, J. Chem. Phys., 116, 9939, 10.1063/1.1476315 · doi:10.1063/1.1476315
  70. Yoshimoto, 2005, J. Chem. Phys., 122, 144712, 10.1063/1.1873732 · doi:10.1063/1.1873732
  71. Riggleman, 2006, Phys. Rev. Lett., 97, 045502, 10.1103/PhysRevLett.97.045502 · doi:10.1103/physrevlett.97.045502
  72. Baljon, 2004, Phys. Rev. Lett., 93, 255701, 10.1103/PhysRevLett.93.255701 · doi:10.1103/physrevlett.93.255701
  73. Varnik, 2002, Eur. Phys. J. E, 8, 175, 10.1140/epje/i2001-10092-8 · doi:10.1140/epje/i2001-10092-8
  74. Varnik, 2003, Eur. Phys. J. E, 12, 167, 10.1140/epje/i2003-10042-6 · doi:10.1140/epje/i2003-10042-6
  75. Peter, 2007, J. Phys.: Condens. Matter, 19, 205119
  76. Peter, 2009, J. Chem. Phys., 131, 014902, 10.1063/1.3158608 · doi:10.1063/1.3158608
  77. Peter, 2009, J. Chem. Phys., 131, 014903, 10.1063/1.3158607 · doi:10.1063/1.3158607
  78. Xu, 2003, J. Chem. Phys., 118, 5241, 10.1063/1.1544552 · doi:10.1063/1.1544552
  79. Mansfield, 1991, Macromolecules, 24, 6283, 10.1021/ma00023a034 · doi:10.1021/ma00023a034
  80. Cavallo, 2005, J. Phys.: Condens. Matter, 17, S1697
  81. Herminghaus, 2002, Eur. Phys. J. E, 8, 237, 10.1140/epje/i2001-10056-0 · doi:10.1140/epje/i2001-10056-0
  82. Truskett, 2003, J. Chem. Phys., 119, 1897, 10.1063/1.1594184 · doi:10.1063/1.1594184
  83. Mittal, 2004, J. Phys. Chem. B, 108, 19769, 10.1021/jp040402j · doi:10.1021/jp040402j
  84. Chow, 2002, J. Phys.: Condens. Matter, 14, L333
  85. Merabia, 2004, Eur. Phys. J. E, 15, 189, 10.1140/epje/i2004-10047-7 · doi:10.1140/epje/i2004-10047-7
  86. Lipson, 2009, Eur. Phys. J. B, 72, 133, 10.1140/epjb/e2009-00324-y · doi:10.1140/epjb/e2009-00324-y
  87. Teboul, 2002, J. Phys.: Condens. Matter, 14, 5699
  88. Krakoviack, 2007, Phys. Rev. E: Stat., Nonlinear, Soft Matter Phys., 75, 031503, 10.1103/PhysRevE.75.031503 · doi:10.1103/physreve.75.031503
  89. Servantie, 2008, Phys. Rev. Lett., 101, 026101, 10.1103/PhysRevLett.101.026101 · doi:10.1103/physrevlett.101.026101
  90. Fuchs, 2002, J. Phys.: Condens. Matter, 14, 9223
  91. Yoshimoto, 2005, Phys. Rev. B: Condens. Matter Mater. Phys., 71, 184108, 10.1103/PhysRevB.71.184108 · doi:10.1103/physrevb.71.184108
  92. Van Workum, 2003, Nano Lett., 3, 1405, 10.1021/nl034458l · doi:10.1021/nl034458l
  93. Mayr, 2009, Phys. Rev. B: Condens. Matter Mater. Phys., 79, 060201, 10.1103/PhysRevB.79.060201 · doi:10.1103/physrevb.79.060201
  94. Jain, 2004, J. Chem. Phys., 120, 9371, 10.1063/1.1689952 · doi:10.1063/1.1689952
  95. Riggleman, 2007, Phys. Rev. E: Stat., Nonlinear, Soft Matter Phys., 76, 011504, 10.1103/PhysRevE.76.011504 · doi:10.1103/physreve.76.011504
  96. Riggleman, 2007, J. Chem. Phys., 126, 234903, 10.1063/1.2742382 · doi:10.1063/1.2742382
  97. Rottler, 2002, Phys. Rev. Lett., 89, 148304, 10.1103/PhysRevLett.89.148304 · doi:10.1103/physrevlett.89.148304
  98. Vorselaars, 2009, Macromolecules, 42, 5829, 10.1021/ma802709d · doi:10.1021/ma802709d
  99. Salamatina, 1989, Mech. Compos. Mater., 24, 721, 10.1007/BF00610773 · doi:10.1007/bf00610773
  100. Oleinik, 2006, E-Polymers, 29, 029
  101. Utz, 2001, J. Chem. Phys., 114, 10049, 10.1063/1.1370958 · doi:10.1063/1.1370958

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Metadata

Authors
Barrat, J.-L., Baschnagel, J., & Lyulin, A.
Venue
Soft Matter
Publisher
Royal Society of Chemistry (RSC)
Published
2010
Volume
6
Issue
15
Pages
3430
ISSN
  • 1744-683X (ISSN-L)
  • 1744-6848
DOI
10.1039/b927044b
OpenAlex
W2094282196
Cited by
320
References
147
FWCI
7.57
Type
journal article
Language
en
Open access
green

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Barrat, J.-L., Baschnagel, J., & Lyulin, A. (2010). Molecular dynamics simulations of glassy polymers. Soft Matter. https://doi.org/10.1039/b927044b

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