reversible linkers, the effect of these dynamical connections on bulk mechanical
response, the role of nanofiller particles in the mechanical enhancement of rubbers,
the microscopic pathways by which exchange of connectivity allows for the relaxation of stresses, [49] how realistic multiple network topologies may be generated
and how multiple networks break on a strand-resolved level. While the overall
picture is far from clear yet, we hope that this broad introduction will inspire further
modelling efforts in this exciting new chapter of polymer materials.
Acknowledgements Parts of this work were executed under the research programmes ‘Understanding the viscoelasticity of elastomer-based nanocomposites’ (VEC), the Stichting Nationale
Computerfaciliteiten (National Computer Facilities Foundation, NCF), the research programme on
Marginal Soft Matter (FOM12CSM01) and the ‘Projectruimte’ project 15PR3223 financed by the
Netherlands Organization for Scientific Research (NWO) and also under the research programme
on Computational Sciences for Energy Research (14CSER005), which is financed by the Netherlands Organization for Scientific Research (NWO) and Royal Dutch Shell.
References
1. Gent AN (2012) Engineering with rubber: how to design rubber components, vol 78. Carl
Hanser Verlag GmbH & Co. KG, Munich
2. Ducrot E, Chen Y, Bulters M, Sijbesma RP, Creton C (2014) Science 344(6180):186
3. Millereau P, Ducrot E, Clough JM, Wiseman ME, Brown HR, Sijbesma RP, Creton C (2018)
Proc Natl Acad Sci 115(37):9110
4. Diani J, Fayolle B, Gilormini P (2009) Eur Polym J 45(3):601
5. Mullins L (1948) Rubber Chem Technol 21(2):281
6. Payne AR (1962) J Appl Polym Sci 6(19):57
7. Payne AR (1962) J Appl Polym Sci 6(21):368
8. Moll JF, Akcora P, Rungta A, Gong S, Colby RH, Benicewicz BC, Kumar SK (2011)
Macromolecules 44(18):7473
9. Berriot J, Montes H, Lequeux F, Long D, Sotta P (2002) Macromolecules 35(26):9756
10. Raos G, Moreno M, Elli S (2006) Macromolecules 39(19):6744
11. Gavrilov AA, Chertovich AV, Khalatur PG, Khokhlov AR (2014) Macromolecules 47
(15):5400
12. Kutvonen A, Rossi G, Ala-Nissila T (2012) Phys Rev E 85(4):041803
13. Kutvonen A, Rossi G, Puisto SR, Rostedt NKJ, Ala-Nissila T (2012) J Chem Phys 137
(21):214901
14. Chen Y, Li Z, Wen S, Yang Q, Zhang L, Zhong C, Liu L (2014) J Chem Phys 141(10):104901
15. Batistakis C, Michels MAJ, Lyulin AV (2013) J Chem Phys 139(2):024906
16. Batistakis C, Michels MAJ, Lyulin AV (2014) Macromolecules 47(14):4690
17. Davris T, Mermet-Guyennet MRB, Bonn D, Lyulin AV (2016) Macromolecules 49(18):7077
18. Liu J, Gao Y, Cao D, Zhang L, Guo Z (2011) Langmuir 27(12):7926
19. Liu J, Zhang L, Cao D, Wang W (2009) Phys Chem Chem Phys 11(48):11365
20. Wang L, Zheng Z, Davris T, Li F, Liu J, Wu Y, Zhang L, Lyulin AV (2016) Langmuir 32
(33):8473
21. Adnan A, Sun C, Mahfuz H (2007) Composites Sci Technol 67(3–4):348
22. Allegra G, Raos G, Vacatello M (2008) Prog Polym Sci 33(7):683
23. Berriot J, Lequeux F, Monnerie L, Montes H, Long D, Sotta P (2002) J Non Cryst Solids
(307–310):719
24. Berriot J, Montes H, Lequeux F, Long D, Sotta P (2003) Europhys Lett 64(1):50
Rheology, Rupture, Reinforcement and Reversibility: Computational Approaches. . .
123
response, the role of nanofiller particles in the mechanical enhancement of rubbers,
the microscopic pathways by which exchange of connectivity allows for the relaxation of stresses, [49] how realistic multiple network topologies may be generated
and how multiple networks break on a strand-resolved level. While the overall
picture is far from clear yet, we hope that this broad introduction will inspire further
modelling efforts in this exciting new chapter of polymer materials.
Acknowledgements Parts of this work were executed under the research programmes ‘Understanding the viscoelasticity of elastomer-based nanocomposites’ (VEC), the Stichting Nationale
Computerfaciliteiten (National Computer Facilities Foundation, NCF), the research programme on
Marginal Soft Matter (FOM12CSM01) and the ‘Projectruimte’ project 15PR3223 financed by the
Netherlands Organization for Scientific Research (NWO) and also under the research programme
on Computational Sciences for Energy Research (14CSER005), which is financed by the Netherlands Organization for Scientific Research (NWO) and Royal Dutch Shell.
References
1. Gent AN (2012) Engineering with rubber: how to design rubber components, vol 78. Carl
Hanser Verlag GmbH & Co. KG, Munich
2. Ducrot E, Chen Y, Bulters M, Sijbesma RP, Creton C (2014) Science 344(6180):186
3. Millereau P, Ducrot E, Clough JM, Wiseman ME, Brown HR, Sijbesma RP, Creton C (2018)
Proc Natl Acad Sci 115(37):9110
4. Diani J, Fayolle B, Gilormini P (2009) Eur Polym J 45(3):601
5. Mullins L (1948) Rubber Chem Technol 21(2):281
6. Payne AR (1962) J Appl Polym Sci 6(19):57
7. Payne AR (1962) J Appl Polym Sci 6(21):368
8. Moll JF, Akcora P, Rungta A, Gong S, Colby RH, Benicewicz BC, Kumar SK (2011)
Macromolecules 44(18):7473
9. Berriot J, Montes H, Lequeux F, Long D, Sotta P (2002) Macromolecules 35(26):9756
10. Raos G, Moreno M, Elli S (2006) Macromolecules 39(19):6744
11. Gavrilov AA, Chertovich AV, Khalatur PG, Khokhlov AR (2014) Macromolecules 47
(15):5400
12. Kutvonen A, Rossi G, Ala-Nissila T (2012) Phys Rev E 85(4):041803
13. Kutvonen A, Rossi G, Puisto SR, Rostedt NKJ, Ala-Nissila T (2012) J Chem Phys 137
(21):214901
14. Chen Y, Li Z, Wen S, Yang Q, Zhang L, Zhong C, Liu L (2014) J Chem Phys 141(10):104901
15. Batistakis C, Michels MAJ, Lyulin AV (2013) J Chem Phys 139(2):024906
16. Batistakis C, Michels MAJ, Lyulin AV (2014) Macromolecules 47(14):4690
17. Davris T, Mermet-Guyennet MRB, Bonn D, Lyulin AV (2016) Macromolecules 49(18):7077
18. Liu J, Gao Y, Cao D, Zhang L, Guo Z (2011) Langmuir 27(12):7926
19. Liu J, Zhang L, Cao D, Wang W (2009) Phys Chem Chem Phys 11(48):11365
20. Wang L, Zheng Z, Davris T, Li F, Liu J, Wu Y, Zhang L, Lyulin AV (2016) Langmuir 32
(33):8473
21. Adnan A, Sun C, Mahfuz H (2007) Composites Sci Technol 67(3–4):348
22. Allegra G, Raos G, Vacatello M (2008) Prog Polym Sci 33(7):683
23. Berriot J, Lequeux F, Monnerie L, Montes H, Long D, Sotta P (2002) J Non Cryst Solids
(307–310):719
24. Berriot J, Montes H, Lequeux F, Long D, Sotta P (2003) Europhys Lett 64(1):50
Rheology, Rupture, Reinforcement and Reversibility: Computational Approaches. . .
123