Analysis of elastic deformation of amorphous polyethylene in uniaxial tensile test by using molecular dynamics simulation

Abstract

In this paper, the linear elastic response to uniaxial tension of amorphous polyethylene was investigated by using Molecular Dynamics (MD) simulation. The polymeric system was initiated using a Monte Carlo-based technique and then equilibrated by a relaxation sequence at temperature of 100 K under a NPT control. Uniaxial tension test was carried out by modifying the corresponding component of the pressure tensor, with a loading rate of 0.5 bar/ps. The results showed that at 100 K (which is smaller than the glass transition temperature), the amorphous polymeric material exhibited a linear elastic response to uniaxial tension. The obtained Young's modulus and Poisson's ratio were also compared with values reported in the literature. Finally, parametric studies were performed on the stress-strain curve as a function of loading axis, number of chains and number of monomer units, respectively.

Control of Physical Processes in an Extrusion Line Polymer Sleeves Production

“…Stretching and inflation of the sleeves lead to a thinning of the workpiece and orientation of the chains in the film (hardening) [31]. Stretch can be quantified by the stretch ratio e v :…”

“…Having previously calculated the productivity of the extruder Q = 0.68D 2.5 (D-is the diameter of the screw) [31], you can calculate the velocity V ex :…”