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

Mechanical behaviors and molecular deformation mechanisms of polymers under high speed shock compression: A molecular dynamics simulation study

“…Meanwhile, at high strain rate, yield mechanism apparently occurred with cavitation in the inter-lamellar domain. Tschopp et al [37] and Rabczuk et al [42] employed MD simulation to study deformation mechanisms during uniaxial tensile deformation of an amorphous PE polymer. They investigated the influence of chain lengths, number of chains, strain rates and temperatures on mechanical properties of PE polymer.…”

A software framework for probabilistic sensitivity analysis for computationally expensive models

“…The smaller RMSE , the more exact the surrogate model approximate the observed data. A surrogate model is considered as a good description of the observed data, if R 2 ≥ 0.8 as stated by [21] . The quadratic regression model without mixed terms is illustrated by subroutine quadr_regsn.m as follows:…”

A multiscale multisurface constitutive model for the thermo-plastic behavior of polyethylene

“…The material is described by a united atom (UA) model using the DREIDING force field [11] with harmonic covalent potential functions and the truncated Lennard-Jones (LJ) 6-12 for nonbonded van der Waals interactions whose parameters are adopted from [12]. The functional form and parameters are presented in Table 1.…”