Stochastic predictions of bulk properties of amorphous polyethylene based on molecular dynamics simulations

Mechanics of Materials - Tập 68 - Trang 70-84 - 2014
N. Vu-Bac1,2, T. Lahmer2,3, H. Keitel3, J. Zhao2, X. Zhuang1, T. Rabczuk1,3,4
1Department of Geotechnical Engineering, Tongji University, Shanghai 200092, China
2Institute of Structural Mechanics, Bauhaus-Universität Weimar, Marienstr. 15, D-99423 Weimar, Germany
3Graduiertenkolleg 1462, Bauhaus-Universität Weimar, Germany
4School of Civil, Environmental and Architectural Engineering, Korea University, South Korea

Tài liệu tham khảo

Arruda, 1995, Effects of strain rate, temperature and thermomechanical coupling on the finite strain deformation of glassy polymers, Mechanics of Materials, 19, 193, 10.1016/0167-6636(94)00034-E Binder, 1995 Bouvard, 2006, A general inelastic internal state variable model foe amorphous glassy polymers, Acta Mechanica, 213, 1 Bower, 2001 Boyce, 2000, Constitutive models of rubber elasticity: a review, Rubber Chemistry and Technology, 73, 504, 10.5254/1.3547602 Brown, 1991, Molecular dynamics simulation of an amorphous polymer under tension. 1. Phenomenology, Macromolecules, 24, 2075, 10.1021/ma00008a056 Campolongo, 1999, The use of graph theory in the sensitivity analysis of the model output: a second order screening method, Reliability Engineering and System Safety, 64, 1, 10.1016/S0951-8320(98)00008-8 Capaldi, 2002, Enhanced mobility accompanies the active deformation of a glassy amorphous polymer, Physical Review Letters, 89, 10.1103/PhysRevLett.89.175505 Capaldi, 2004, Molecular response of a glassy polymer to active deformation, Polymer, 45, 1391, 10.1016/j.polymer.2003.07.011 Helton, 2003, Latin hypercube sampling and the propagation of uncertainty in analyses of complex systems, Reliability Engineering & System Safety, 81, 2369, 10.1016/S0951-8320(03)00058-9 Hoover, 1985, Canonical dynamics: equilibrium phase-space distributions, Physical Review, A31, 1695, 10.1103/PhysRevA.31.1695 Hossain, 2010, Molecular dynamics simulations of deformation mechanisms of amorphous polyethylene, Polymer, 51, 6071, 10.1016/j.polymer.2010.10.009 Iman, 1980, Small sample sensitivity analysis techniques for computer models with an application to risk assessment, Communications in Statistics, A9, 1749842 Karutz, H., 2005. Adaptive Kopplung der Elementfreien Galerkin-Methode mit der Methode der Finiten Elemente bei Rissfortschrittsproblemen. Ph.D. thesis, Ruhr-Universität Bochum. Keitel, Holger, 2011. Evaluation methods for prediction quality of concrete creep models. Ph.D. thesis, Bauhaus-Universität Weimar. Keitel, 2011, Evaluation of coupled partial models in structural engineering using graph theory and sensitivity analysis, Engineering Structures, 3726, 10.1016/j.engstruct.2011.08.009 Lancaster, 1986 Lee, 1985, Linear and cyclic alkanes (CnH2n+2, CnH2n) with n>100. Synthesis and evidence for chain-folding, Makromolekulare Chemie Rapid Communications, 6, 203, 10.1002/marc.1985.030060316 Montgomery, 2003 Morris, 1991, Factorial sampling plans for preliminary computational experiments, Technometrics, 33, 161174, 10.1080/00401706.1991.10484804 Myers, 2002 Nose, 1984, A molecular dynamics method for simulations in the canonical ensemble, Molecular Physics, 50, 255, 10.1080/00268978400101201 Novák, D., Teplý, B., Shiraishi, N., 1993. Sensitivity analysis of structures: a review. In: Proceedings of CIVIL COMP 93, p. 2017. Paruolo, 2012, Ratings and rankings: voodoo or science? The Royal Statistical Society:, Journal Series A, 176, 1 Qiao, Yu. Polymer Lecture, Department of Structural Engineering & Program of Materials Science and Engineering, University of California, San Diego. http://mmrl.ucsd.edu/. Robert, 2006, Strain hardening of polymer glasses: effect of entanglement density, temperature, and rate, Journal of Polymer Science: Part B: Polymer Physics Saltelli, 2008 Shepherd, J.E., 2006. Multiscale modeling of the deformation of semi-crystalline polymers. Ph.D. thesis at Georgia Institute of Technology. Sundararajan, 1995, Molecular dynamics study of polyethylene chain folding: the effects of chain length and the torsional barrier, Journal of the Chemical Society, Faraday Transactions, 91, 16, 10.1039/ft9959102541 Ungar, 1985, The crystallization of ultralong normal paraffins: the onset of chain folding, Science, 229, 386, 10.1126/science.229.4711.386 Zhang, 2012, Effects of the dispersion of polymer wrapped two neighbouring single walled carbon nanotubes (swnts) on nanoengineering load transfer, Composites Part B: Engineering Zhao, 2010, Thermo-mechanical properties dependence on chain length in bulk polyethylene: coarse-grained molecular dynamics simulations, Journal of Materials Research, 25, 537, 10.1557/JMR.2010.0061