Metropolis Monte Carlo has been employed with remarkable success over the years to
simulate the dense phases of polymer systems. Owing, in particular, to the freedom it …

This paper describes and provides Z1+, the successor of the Z-and Z1-codes for topological
analyses of mono-and polydisperse entangled linear polymeric systems, in the presence or …

It has previously been shown that polyethylene (PE) with a bimodal molar mass distribution
has a high fracture toughness. Our approach has been to use coarse-grained (CG) …

Molecular simulations such as Molecular Dynamics (MD) and Monte Carlo (MC) have
gained increasing importance in the explanation of various physicochemical and …

This feature article reviews several aspects of computational approaches to polyethylene
melt and solid state properties in relation to existing experimental results. Based on 40 years …

Although the tube models have attained remarkable success, development of a simulation
method for entangled branch polymer dynamics is still a challenge. In this study, the …

We present detailed scaling characteristics of the chain rotation dynamics in shear flow for
melt and dilute linear polymer systems using extensive atomistic and coarse-grained …

In the present paper, a new type of micro-mechanically motivated chain network model for
rubber-like materials is proposed. The model captures topological constraints of polymer …

We used molecular dynamics (MD) simulation to investigate whether an environmental
stress cracking (ESC) agent would help the cavitation process in linear polyethylene (LPE) …

In this work, we analyzed the individual chain dynamics for linear polymer melts under shear
flow for bulk and confined systems using atomistic nonequilibrium molecular dynamics …