Equilibration and deformation of amorphous polystyrene: Scale-jumping simulational approach

Macromolecular Theory and Simulations

Volumn 17, Issue 6, 2008, Pages 290-300

  Mulder, Tim ^a,b   Harmandaris, Vagelis A ^c   Lyulin, Alexey V ^a,b   Van Der Vegt, Nico F A ^c   Vorselaars, Bart ^a,b   Michels, Matthias A J ^a,b  

^a EINDHOVEN UNIVERSITY OF TECHNOLOGY   (Netherlands)

^b DUTCH POLYMER INSTITUTE DPI   (Netherlands)

^c MAX PLANCK INSTITUTE FOR POLYMER RESEARCH   (Germany)

Author keywords

Monte Carlo; Polystyrene; Stress; Stress strain behavior

Indexed keywords

ABS RESINS; FIBER REINFORCED MATERIALS; HARDENING; MONTE CARLO METHODS; POLYMERS; POLYSTYRENES; STRAIN HARDENING;

CHAIN CONDENSATIONS; CHARACTERISTIC RATIOS; DIHEDRAL ANGLES; DYNAMICS SIMULATIONS; EXPERIMENTAL VALUES; MONTE CARLO; POLYMER SAMPLES; POLYMER STRUCTURES; PREPARATION METHODS; STRAINHARDENING MODULUS; STRESS STRAINS; STRESS-STRAIN BEHAVIOR;

POLYMER BLENDS;

EID: 55149114217     PISSN: 10221344     EISSN: 15213919     Source Type: Journal    
DOI: 10.1002/mats.200800015     Document Type: Article

References (22)

1. L. C. E. Struik, Physical Aging in Amorphous Polymers and Other Materials, Elsevier, Amsterdam 1978.
2. L. E. Govaert, H. G. H. van Melick, H. E. H. Meijer, Polymer 2001, 42, 1271.
3. A. V. Lyulin, B. Vorselaars, M. A. Mazo, N. K. Balabaev, M. A. J. Michels, Europhys. Lett. 2005, 71, 618.
4. A. V. Lyulin, M. A. J. Michels, Phys. Rev. Lett. 2007, 99, 085504.
5. J. I. McKechnie, R. N. Haward, D. Brown, J. H. R. Clarke, Macromolecules 1993, 26, 198.
6. A. V. Lyulin, J. Li, T. Mulder, B. Vorselaars, M. A. J. Michels, Macromol. Symp. 2006, 237, 108.
7. T. Mulder, V. A. Harmandaris, A. V. Lyulin, N. F. A. van der Vegt, M. A. J. Michels, Macromol Theory Simul. submitted.
8. V. A. Harmandaris, N. P. Adhikari, N. F. A. van der Vegt, K. Kremer, Macromolecules 2006, 39, 6708.
9. R. Auhl, R. Everaers, G. S. Grest, K. Kremer, S. J. Plimpton, J. Chem. Phys. 2003, 119, 12718.
10. P. Zoller, D. J. Walsh, Standard Pressure-Volume-Temperature Data for Polymers, Technomic Publishing Co., Inc., Lancaster, Basel 1995.
11. A. V. Lyulin, M. A. J. Michels, Macromolecules 2002, 35,1463.
12. B. Vorselaars, A. V. Lyulin, M. A. J. Michels, Macromolecules 2007, 40, 6001.
13. M. P. Allen, D. J. Tildesley, Computer Simulation of Liquids, Clarendon Press, Oxford University Press, Oxford, England 1987.
14. A. S. Lemak, N. K. Balabaev, ;. Comput. Chem. 1996, 17, 1685.
15. J. D. Londono, A. Habenschuss, J. G. Curro, J. J. Rajasekaran, J. Polym. Sci. B 1996, 34, 3055.
16. J. Mark, K. Ngai, W. Graessley, L. Mandelkern, E. Samulski, J. König, G. Wignall, Physical Properties of Polymers, Cambridge University Press, Cambridge, UK 2003.
17. J. P. Wittmer, P. Beckrich, H. Meyer, A. Cavallo, A. Johner, J. Baschnagel, Phys. Sev. E 2007, 76, 011803.
18. H. G. H. Melick, Deformation and Failure of Polymer Glasses, Ph.D. Thesis, 2002, Eindhoven University of Technology, Eindhoven, The Netherlands.
19. I. M. Ward, J. Sweeney, An Introduction to the Mechanical Properties of Solid Polymers, J. Wiley and Sons, Chicester, England 2004.
20. J. E. Mark, Polymer Data Handbook, Oxford University Press, Oxford, UK 1999.
21. F. M. Capaldi, M. C. Boyce, G. C. Rutledge, Phys. Rev. Lett. 2002, 89, 175505.
22. M. G. Dunbar, B. M. Novak, K. Schmidt-Rohr, Solid State Nucl. Magn. Reson. 1998, 12, 119.