Atomic Scale Deformation Mechanisms of Amorphous Polyethylene under Tensile Loading

Atomic Scale Deformation Mechanisms of Amorphous Polyethylene under Tensile Loading M.A. Tschopp, M.A. Tschopp Conter for Advanced Vehicular Systems, Mississippi State University; Starkville, MS 39759, USASearch for more papers by this authorJ.L. Bouvard, J.L. Bouvard Conter for Advanced Vehicular Systems, Mississippi State University; Starkville, MS 39759, USASearch for more papers by this authorD.K. Ward, D.K. Ward Sandia National Laboratory; Livermore, CA 94551, USASearch for more papers by this authorM.F. Horstemeyer, M.F. Horstemeyer Conter for Advanced Vehicular Systems, Mississippi State University; Starkville, MS 39759, USASearch for more papers by this author M.A. Tschopp, M.A. Tschopp Conter for Advanced Vehicular Systems, Mississippi State University; Starkville, MS 39759, USASearch for more papers by this authorJ.L. Bouvard, J.L. Bouvard Conter for Advanced Vehicular Systems, Mississippi State University; Starkville, MS 39759, USASearch for more papers by this authorD.K. Ward, D.K. Ward Sandia National Laboratory; Livermore, CA 94551, USASearch for more papers by this authorM.F. Horstemeyer, M.F. Horstemeyer Conter for Advanced Vehicular Systems, Mississippi State University; Starkville, MS 39759, USASearch for more papers by this author The Minerals, Metals & Materials Society (TMS), The Minerals, Metals & Materials Society (TMS)Search for more papers by this author Book Author(s):The Minerals, Metals & Materials Society (TMS), The Minerals, Metals & Materials Society (TMS)Search for more papers by this author First published: 28 February 2011 https://doi.org/10.1002/9781118062142.ch95Citations: 6 AboutPDFPDF ToolsRequest permissionExport citationAdd to favoritesTrack citation ShareShareShare a linkShare onEmailFacebookTwitterLinkedInRedditWechat Summary This chapter contains sections titled: Introduction Simulation Methodology Simulation Results References S. L. Mayo, B. D. Olafson, W. A. Goddard, “DREIDING: A generic force field for molecular simulations,” Journal of Physical Chemistry, 94 (1990) 8897. 10.1021/j100389a010 CASWeb of Science®Google Scholar S. Plimpton, “Fast parallel algorithms for short-range molecular dynamics,” Journal of Computational Physics, 117 (1995) 1. 10.1006/jcph.1995.1039 CASWeb of Science®Google Scholar S. J. Nose, “A unified formulation of the constant temperature molecular dynamics methods,” Chemical Physics, 81 (1984) 511. CASWeb of Science®Google Scholar W. G. Hoover, “Canonical dynamics: Equilibrium phase-space distributions,” Physical Review A, 31 (1985) 1695. 10.1103/PhysRevA.31.1695 CASPubMedWeb of Science®Google Scholar K. Binder, Monte Carlo and molecular dynamics simulations in polymer science (New York, NY: Oxford University Press, 1995). 10.1093/oso/9780195094381.001.0001 Google Scholar S. Melchionna, G. Ciccottia, B. L. Holian, “Hoover NPT dynamics for systems varying in shape and size,” Molecular Physics, 78 (1993) 533. 10.1080/00268979300100371 CASWeb of Science®Google Scholar D. Hossain, M. A. Tschopp, D. K. Ward, J. L. Bouvard, P. Wang, M. F. Horstemeyer, “Molecular dynamics simulations of deformation mechanisms of amorphous polyethylene,” Polymer (2010) doi: 10.1016/j.polymer.2010.10.009. Google Scholar K. Yashiro, T. Ito, Y. Tomita, “Molecular dynamics simulation of deformation behavior in amorphous polymer: nucleation of chain entanglements and network structure under uniaxial tension,” International Journal of Mechanical Sciences 45 (2003) 1863. 10.1016/j.ijmecsci.2003.11.001 Web of Science®Google Scholar Citing Literature Supplemental Proceedings: Materials Fabrication, Properties, Characterization, and Modeling, Volume 2 ReferencesRelatedInformation