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Influence of the Interaction Potential Parameters on the Mechanical Response of Simulated Semi-Crystalline Polymeric Materials

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Abstract:

The tensile deformation of a semi-crystalline lamellar structure was simulated using coarse-grain molecular dynamics. Interactions between statistical segments are described by Lennard-Jones potentials, with two types of interactions (primary and secondary bonds) defined for the amorphous and crystalline phases. The choice of the correct interaction potentials in coarsegrain simulations requires an understanding of the influence of each interaction potential parameter on the mechanical response. The present paper reports results from that study, following a design of experiments approach. It was found that the apparent modulus is mainly determined by the width of the secondary bond potential. The yield stress and the extent of deformation of the material at a fixed force level are influenced both by the width of the secondary bond potential and the depth of the potential well of the amorphous region. Thus, the tensile mechanical properties and behaviour of the specific lamellar structure under study seems to be mainly determined by the secondary interactions in the amorphous region.

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Advanced Materials Forum III View Preview

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Periodical:

Materials Science Forum (Volumes 514-516)

Pages:

810-814

DOI:

https://doi.org/10.4028/www.scientific.net/MSF.514-516.810

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Online since:

May 2006

Authors:

Ricardo Simões, Julio Viana, Gustavo R. Dias, António M. Cunha

Keywords:

Interaction Potentials, Mechanical Behavior, Molecular Dynamic (MD), Semicrystalline Polymers

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© 2006 Trans Tech Publications Ltd. All Rights Reserved

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References

[1] W. Brostow, M. Donahue, C. Karashin and R. Simoes: Mater. Res. Innovat. Vol. 4 (2001), p.75.

Google Scholar

[2] R. Simoes, A.M. Cunha and W. Brostow: e-Polymers no. 067 (2004).

Google Scholar

[3] R. Simoes, W. Brostow and A.M. Cunha: Polymer Vol. 45 (2004), p.7767.

Google Scholar

[4] W. Brostow, J.A. Hinze and R. Simoes: J. Mater. Res. Vol. 19 (2004), p.851.

Google Scholar

[5] W. Brostow, A.M. Cunha, J. Quintanilla and R. Simoes: Macromol. Theory & Simul. Vol. 11 (2002), p.308.

Google Scholar

[6] B.J. Alder and T.E. Wainwright: J. Chem. Phys. Vol. 27 (1957), p.1208.

Google Scholar

[7] W.F. van Gunsteren, in Mathematical Frontiers in Computational Chemical Physics, Ed. D.G. Truhlar (Springer, New York 1988).

Google Scholar

[8] V. Mom: J. Comput. Chem. Vol. 2 (1981), p.446.

Google Scholar

[9] W. Brostow, A.M. Cunha and R. Simoes: Mater. Res. Innovat. Vol. 7 (2003), p.19 (a) (b) (c).

Google Scholar