Abstract
The interlamellar domain of semicrystalline polyethylene is studied by means of off-lattice Metropolis Monte Carlo simulations using a realistic united atom force field with inclusion of torsional contributions. Both structural as well as thermal and mechanical properties are discussed for systems with the {201} crystal plane parallel to the interface. In so doing, important data is obtained which is useful for modeling semicrystalline polyethylene in terms of multiphase models. Here, we review the main results published previously by us [P.J. in ’t Veld, M. Hütter, G.C. Rutledge: Macromolecules 39, 439 (2006); M. Hütter, P.J. in ’t Veld, G.C. Rutledge: Polymer (in press), (2006)].
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Hütter, M., Veld, P.J., Rutledge, G.C. (2007). Monte Carlo Simulations of Semicrystalline Polyethylene: Interlamellar Domain and Crystal-Melt Interface. In: Reiter, G., Strobl, G.R. (eds) Progress in Understanding of Polymer Crystallization. Lecture Notes in Physics, vol 714. Springer, Berlin, Heidelberg. https://doi.org/10.1007/3-540-47307-6_14
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