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 dynamics (MD) simul
The ability to control polyethylene branching density is of great interest as a means by which a polymer’s thermomechanical properties may be tailored. One particularly interesting way in which this c
This work, for the first time, employs polymer chain segments with similar number of atoms to calculate 635 molecular descriptors for corresponding polymers, from which a subset of descriptors was sel
