The effects of length and content of chain branching on the mechanical properties of polyethylene (PE) in atomic scale were examined by molecular dynamics (MD) simulations. Methyl-, ethyl- and butyl-groups were adopted as branched chains to distribute along PE backbones. Plastic flow deformation was captured by providing a uniaxial tensile loading at a given strain rate, which shows the characteristic of rate dependence. Current results are in reasonable agreements with existing experimental data. The statistical results show that the longer length of chain branching induces lower equilibrium density and higher yield strength of branched PE. In addition, higher content of chain branching brings higher equilibrium density and lower yield str...
International audienceThe elastic and large plastic deformations of semicrystalline polymers involve...
International audienceAbstract Molecular dynamics simulations are employed to study the crystallinit...
We present a detailed analysis on the influences of short branches on the structural, conformational...
Atomistic simulations, also known as molecular dynamics simulations, can give significant insights o...
It has previously been shown that polyethylene (PE) with a bimodal molar mass distribution has a hig...
Long-timescale molecular dynamics simulations were performed to estimate the actual physical nature ...
International audienceWe present results from molecular dynamics simulations for an all-atoms model ...
The effects of interphase topology, entanglements, and chain dynamics on the mechanical response of ...
Polymeric particles with controlled internal molecular architectures play an important role as const...
The molecular origin of plastic deformation within amor-phous polymers is an important issue that is...
Molecular dynamics (MD) simulations were performed on dense liquids of polyethylene chains of 24 and...
Linear low-density polyethylene (LLDPE) chains with different levels of branch content (BC), ranging...
Constrained Geometry catalysts make it possible to control independently molecular weight (MW), mole...
5 pags., 3 figs., 1 tab.It is well established that the chain dimensions of a polymer are intimately...
Understanding the relationship between polymer chain conformation as well as the chain composition w...
International audienceThe elastic and large plastic deformations of semicrystalline polymers involve...
International audienceAbstract Molecular dynamics simulations are employed to study the crystallinit...
We present a detailed analysis on the influences of short branches on the structural, conformational...
Atomistic simulations, also known as molecular dynamics simulations, can give significant insights o...
It has previously been shown that polyethylene (PE) with a bimodal molar mass distribution has a hig...
Long-timescale molecular dynamics simulations were performed to estimate the actual physical nature ...
International audienceWe present results from molecular dynamics simulations for an all-atoms model ...
The effects of interphase topology, entanglements, and chain dynamics on the mechanical response of ...
Polymeric particles with controlled internal molecular architectures play an important role as const...
The molecular origin of plastic deformation within amor-phous polymers is an important issue that is...
Molecular dynamics (MD) simulations were performed on dense liquids of polyethylene chains of 24 and...
Linear low-density polyethylene (LLDPE) chains with different levels of branch content (BC), ranging...
Constrained Geometry catalysts make it possible to control independently molecular weight (MW), mole...
5 pags., 3 figs., 1 tab.It is well established that the chain dimensions of a polymer are intimately...
Understanding the relationship between polymer chain conformation as well as the chain composition w...
International audienceThe elastic and large plastic deformations of semicrystalline polymers involve...
International audienceAbstract Molecular dynamics simulations are employed to study the crystallinit...
We present a detailed analysis on the influences of short branches on the structural, conformational...