Molecular dynamics simulation of polyethylene under cyclic loading: Effect of loading condition and chain length

Effect of molecular structure of curing agents on cyclic creep in highly cross‐linked epoxy polymers

“…[ 16 ] They reported that cyclic loading by uniaxial tension led to the high ratcheting strain accumulation compared to other multiaxial loading conditions, which originated from gradual molecular rearrangements. Yashiro et al investigated the ratcheting behaviors of polyethylene by MD simulations to evaluate the influences of loading types, stress levels, and length of the polymer chains, [ 18 ] especially focusing on the effect of the chain length of the polyethylene on the plastic deformation. Hizoum et al [ 24 ] considered the contribution of nanovoids accumulated by ratcheting behaviors on the softening of high‐density polyethylene.…”

Creep–Fatigue Relationship in Polymer: Molecular Dynamics Simulations Approach

“…[22][23][24][25] But only a few studies on fatigue behavior of polymers using MD are found, probably because only small samples and short times or a few load cycles can be modeled even with the biggest computers. Yashiro et al [26] investigated the effect of loading condition and chain length on the behavior of polyethylene under cyclic loading. Their main finding was the leaflike hysteresis analogous to experimental results both in stress-and strain-controlled loading, although there was a huge discrepancy in the strain rates.…”

An elastic molecular model for rubber inelasticity

“…Hysteresis loops can also be observed for polyethylene and polybutadiene as shown by Yashiro et al [10,11]. While bending and torsion are considered in a similar way using 3-and 4-body potentials, the authors favor a coarse grained MD simulation over an all-atom model which we prefer.…”

“…(5)-(7) and the Morse approach, Eqs. (9)- (11), are also shown. Although they have been developed exclusively for covalent bonds, there are certain similarities with the Lennard-Jones and X6 approach.…”