Mechanical behavior of linear amorphous polymers: Comparison between molecular dynamics and finite-element simulations

Physical Review E - Statistical, Nonlinear, and Soft Matter Physics

Volumn 85, Issue 2, 2012, Pages

  Solar, Mathieu ^a   Meyer, Hendrik ^a,b   Gauthier, Christian ^a   Fond, Christophe ^a   Benzerara, Olivier ^a   Schirrer, Robert ^a   Baschnagel, Jörg ^a  

^a UNIVERSITÉ DE STRASBOURG   (France)

^b MARTIN LUTHER UNIVERSITY HALLE WITTENBERG   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

AMORPHOUS POLYMERS; BULK POLYMER; CONSTITUTIVE LAW; CONTACT MECHANICS; ENTANGLED POLYMERS; EXPERIMENTAL DATA; FE-SIMULATION; FINITE ELEMENT SIMULATIONS; INDENTATION TEST; MD SIMULATION; MECHANICAL BEHAVIOR; MECHANICAL RESPONSE; POLYMER MODELS; VOLUME ELEMENTS;

ADHESION; CONTINUUM MECHANICS; MECHANICAL ENGINEERING; MECHANICAL PROPERTIES; POLYMER FILMS; SURFACE TENSION;

MOLECULAR DYNAMICS;

EID: 84857772029     PISSN: 15393755     EISSN: 15502376     Source Type: Journal    
DOI: 10.1103/PhysRevE.85.021808     Document Type: Article

References (55)

1. O. C. Zienkiewicz and R. L. Taylor, The Finite Element Method, Vols. 1-3 (Butterworth-Heinemann, 2000).
2. J. Besson, G. Cailletaud, J. L. Chaboche, and S. Forest, Non-linear Mechanics of Materials (Hermes Science, London, 2001).
3. M. Bornert, T. Bretheau, and P. Gilormini, Homogenization in Mechanics of Materials, Vols. 1 & 2 (Hermes Science, London, 2000).
4. S. Roussette, J. C. Michel, and P. Suquet, Compos. Sci. Technol. CSTCEH 0266-3538 10.1016/j.compscitech.2007.10.032 69, 0122 (2009).
5. L. E. Malvern, Introduction to the Mechanics of Continuous Medium (Prentice-Hall, Englewood Clifss, NJ, 1969).
6. R. Maranganti and P. Sharma, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.98.195504 98, 195504 (2007). (Pubitemid 47139482)
7. B. Luan and M. O. Robbins, Nature (London) NATUAS 0028-0836 10.1038/nature03700 435, 929 (2005). (Pubitemid 40896315)
8. B. Luan and M. O. Robbins, Phys. Rev. E PLEEE8 1539-3755 10.1103/PhysRevE.74.026111 74, 026111 (2006).
9. M. Solar, H. Meyer, C. Gauthier, O. Benzerara, H. Pelletier, R. Schirrer, and J. Baschnagel, J. Phys. D JPAPBE 0022-3727 10.1088/0022-3727/43/45/455406 43, 455406 (2010).
10. M. Solar, H. Meyer, C. Gauthier, O. Benzerara, R. Schirrer, and J. Baschnagel, Wear WEARAH 0043-1648 10.1016/j.wear.2011.05.026 271, 2751 (2011).
11. M. Solar, H. Meyer, and C. Gauthier (unpublished).
12. M. P. Allen and D. J. Tildesley, Computer Simulation of Liquids (Oxford Science Publications, USA, 1987).
13. D. Frenkel and B. Smit, Understanding Molecular Simulation: From Algorithms to Applications (Academic Press, UK, 1996).
14. T. Belytschko, W. K. Liu, and B. Moran, Nonlinear Finite Elements for Continua and Structures (Wiley, New York, 2000).
15. S. Plimpton, J. Comput. Phys. JCTPAH 0021-9991 10.1006/jcph.1995.1039 117, 1 (1995).
16. F. Costanzo, G. L. Gray, and P. C. Andia, Int. J. Eng. Sci. IJESAN 0020-7225 10.1016/j.ijengsci.2004.12.002 43, 533 (2005). (Pubitemid 40612877)
17. W. G. Hoover, Phys. Rev. A PLRAAN 1050-2947 10.1103/PhysRevA.34.2499 34, 2499 (1986).
18. S. Melchionna, Phys. Rev. E PLEEE8 1539-3755 10.1103/PhysRevE.61.6165 61, 6165 (2000).
19. S. Nose, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.447334 81, 511 (1984).
20. Computer code Cast3M (Commissariat à l'Energie Atomique CEA, DEN/DM2S/SEMT), http://www-cast3m.cea.fr/.
21. S. Peter, S. Napolitano, H. Meyer, M. Wübbenhorst, and J. Baschnagel, Macromolecules MAMOBX 0024-9297 10.1021/ma800694v 41, 7729 (2008).
22. B. Schnell, H. Meyer, C. Fond, J. P. Wittmer, and J. Baschnagel, Eur. Phys. J. E EPJSFH 1292-8941 10.1140/epje/i2011-11097-4 34, 97 (2011).
23. B. Schnell, Ph.D. thesis, University of Strasbourg, France, 2006 (unpublished), http://scd-theses.u-strasbg.fr/1131/.
24. M. Tsamados, A. Tanguy, C. Goldenberg, and J.L. Barrat, Phys. Rev. E PLEEE8 1539-3755 10.1103/PhysRevE.80.026112 80, 026112 (2009).
25. A. Makke, M. Perez, O. Lame, and J. L. Barrat, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.3148381 131, 014904 (2009).
26. J. L. Barrat and J. J. de Pablo, MRS Bull. MRSBEA 0883-7694 10.1557/mrs2007.192 32, 1 (2007).
27. G. J. Papakonstantopoulos, R. A. Riggleman, J. L. Barrat, and J. J. de Pablo, Phys. Rev. E PLEEE8 1539-3755 10.1103/PhysRevE.77.041502 77, 041502 (2008). (Pubitemid 351514232)
28. J. Rottler and M. O. Robbins, Phys. Rev. E PLEEE8 1539-3755 10.1103/PhysRevE.64.051801 64, 051801 (2001).
29. J. Rottler and M. O. Robbins, Phys. Rev. E PLEEE8 1539-3755 10.1103/PhysRevE.68.011507 68, 011507 (2003).
30. J. Rottler and M. O. Robbins, Phys. Rev. E PLEEE8 1539-3755 10.1103/PhysRevE.68.011801 68, 011801 (2003).
31. J. Rottler, S. Barsky, and M. O. Robbins, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.89.148304 89, 148304 (2002).
32. J. Rottler and M. O. Robbins, Comput. Phys. Commun. CPHCBZ 0010-4655 10.1016/j.cpc.2005.03.040 169, 177 (2005). (Pubitemid 40890603)
33. J. Rottler and M. O. Robbins, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.89.195501 89, 195501 (2002).
34. J. Rottler and M. O. Robbins, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.95.225504 95, 225504 (2005). (Pubitemid 41776985)
35. R. Rahouadj and C. Cunat, in Handbook of Materials Behavior Models, Vol. 1 (Elsevier, New York, 2001), pp. 107-116.
36. D. M. Trujillo, Practical Inverse Analysis in Engineering, 1st ed. (CRC Press, Boca Raton, FL, 1997).
37. E. Felder and J. L. Bucaille, Tribol. Int. TRBIBK 0301-679X 10.1016/j.triboint.2005.04.005 39, 70 (2006). (Pubitemid 41635813)
38. K. L. Johnson, Contact Mechanics (Cambridge University Press, Cambridge, UK, 1985).
39. A.W. Adamson, Physical Chemistry of Surfaces (John Wiley & Sons, New York, 1990).
40. I. M. Ward and J. Sweeney, An Introduction to the Mechanical Properties of Solid Polymers (Wiley, West Sussex, UK, 2004).
41. R. A. Riggleman, H.-N. Lee, M. D. Ediger, and J. J. de Pablo, Soft Matter 1744-683X 10.1039/b912288e 6, 287 (2010).
42. T. Chatel, C. Gauthier, H. Pelletier, V. Le Houerou, D. Favier, and R. Schirrer, J. Phys. D JPAPBE 0022-3727 10.1088/0022-3727/44/37/375403 44, 375403 (2011).
43. K. Mrabet, R. Rahouadj, and C. Cunat, Polym. Eng. Sci. PYESAZ 0032-3888 10.1002/pen.20228 45, 42 (2005). (Pubitemid 40099768)
44. C. Cunat, Mech. Time-Depend. Mater. 1385-2000 10.1023/A:1009899519935 5, 39 (2001). (Pubitemid 32252259)
45. A. Aharoune, P. Marceron-Balland, and C. Cunat, Mech. Time-Depend. Mater. 1385-2000 10.1023/A:1012520720199 5, 345 (2001). (Pubitemid 33114034)
46. E. Faccio-Toussaint, Z. Ayadi, P. Pilvin, and C. Cunat, Mech. Time-Depend. Mater. 1385-2000 10.1023/A:1009895307457 5, 1 (2001). (Pubitemid 32252257)
47. S. Andre, Y. Meshaka, and C. Cunat, Rheol. Acta RHEAAK 0035-4511 10.1007/s00397-003-0305-z 42, 500 (2003). (Pubitemid 37497124)
48. C. Cunat, Rev. Gen. Therm. 0035-3159 10.1016/S0035-3159(96)80067-5 35, 680 (1996).
49. B. Martin, Z. Ayadi, M. Nivoit, A. Galtier, and C. Cunat, C. R. Mec. 1631-0721 10.1016/S1631-0721(04)00182-2 332, 907 (2004).
50. J. Lemaitre, Handbook of Materials Behavior Models, Vols. 1-3 (Elsevier, New York, 2001).
51. C. Fond, O. Noël, and M. Brogly, in Particle and Continuum Aspects of Mesomechanics, edited by, G. C. Sih, M. Naït-Abdelaziz, and, T. Vu-Khanh, (ISTE, London, 2010).
52. C. Bennemann, W. Paul, K. Binder, and B. Dünweg, Phys. Rev. E PLEEE8 1539-3755 10.1103/PhysRevE.57.843 57, 843 (1998).
53. S. Peter, H. Meyer, and J. Baschnagel, J. Polym. Sci., Part B JPBPEM 0887-6266 10.1002/polb.20924 44, 2951 (2006). (Pubitemid 44578972)
54. S. Nemat-Nasser, Plasticity: A Treatise On Finite Deformation of Heterogeneous Inelastic Materials (Cambridge University Press, Cambridge, UK, 2004).
55. J. Lemaitre and J. L. Chaboche, Mechanics of Solid Materials (Cambridge University Press, Cambridge, UK, 1990).