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Monte Carlo Simulations of Semicrystalline Polyethylene: Interlamellar Domain and Crystal-Melt Interface

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Progress in Understanding of Polymer Crystallization

Part of the book series: Lecture Notes in Physics ((LNP,volume 714))

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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Author information

Authors and Affiliations

  1. Department of Materials, ETH Zurich, CH-8093, Zurich, Switzerland

    Markus Hütter

  2. Sandia National Laboratories, 87185, Albuquerque, NM, U.S.A.

    Pieter J. in ’t Veld

  3. Department of Chemical Engineering, Massachusetts Institute of Technology, 02139, Cambridge, MA, U.S.A.

    Gregory C. Rutledge

Authors
  1. Markus Hütter
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  2. Pieter J. in ’t Veld
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  3. Gregory C. Rutledge
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Editor information

Editors and Affiliations

  1. CNRS-UHA, Institut de Chimie des Surfaces et Interfaces (ICSI), 15 rue Jean Starcky, 68057, Mulhouse Cedex, France

    Günter Reiter

  2. Fakultät für Physik und Mathematik, Universität Freiburg, Hermann-Herder-Str. 3, 79104, Freiburg, Germany

    Gert R. Strobl

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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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