Uncertainty Quantification for Mechanical Properties of Polyethylene Based on Fully Atomistic Model

Abstract

This study is to assess the effect of temperature and strain rate on the mechanical properties of amorphous polyethylene (PE) based on fully atomistic model. A stochastic constitutive model using data obtained from molecular dynamics (MD) simulations for the material is constructed. Subsequently, a global sensitivity analysis approach is then employed to predict the essential parameters of the mechanical model. The sensitivity indices show that the key parameter affecting Young’s modulus and yield stress is the temperature followed by the strain rate.

Keywords

• uncertainty quantification
• fully atomistic model
• mechanical properties
• bayesian updating
• kriging