Abstract
The effect of the chain length, the temperature and the strain rate on the yield stress and the elastic modulus of glassy polyethylene is systematically studied using united-atom molecular dynamics (MD) simulations. Based on our MD results, a sensitivity analysis (SA) is carried out in order to quantify the influence of the uncertain input parameters on the predicted yield stress and elastic modulus. The SA is based on response surface (RS) models (polynomial regression and moving least squares). We use partial derivatives (local SA) and variance-based methods (global SA) where we compute first-order and total sensitivity indices. In addition, we use the elementary effects method on the mechanical model. All stochastic methods predict that the key parameter influencing the yield stress and elastic modulus is the temperature, followed by the strain rate.
Original language | English |
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Pages (from-to) | 70-84 |
Number of pages | 15 |
Journal | Mechanics of Materials |
Volume | 68 |
DOIs | |
Publication status | Published - 2014 |
Bibliographical note
Funding Information:We gratefully acknowledge the support by the Deutscher Akademischer Austausch Dienst (DAAD), IRSES-MULTIFRAC and the German Research Foundation (DFG) through the Research Training Group 1462.
Copyright:
Copyright 2013 Elsevier B.V., All rights reserved.
Keywords
- Elementary effects
- Molecular dynamics (MD)
- Polyethylene-like polymer (PE)
- Response surface method
- Sensitivity analysis
- Variance-based methods
ASJC Scopus subject areas
- General Materials Science
- Instrumentation
- Mechanics of Materials