Organic π‐conjugated semiconductors (OCSs) have recently emerged as a promising
alternative to traditional inorganic materials for photocatalysis. However, the aggregation of …

Herein, we propose a large-scale simulation approach to perform the stretch-induced
crystallization of entangled polyethylene (PE) melts. Sufficiently long (1000 ns) united-atom …

Mechanical recycling is the most efficient way to reduce plastic pollution due to its ability to
maintain the intrinsic properties of plastics as well as provide economic benefits involved in …

Polyethylene (PE) chains, with CH2 groups replaced by CBr2 at regular intervals (“precision
PE”), have been observed to exhibit competing polymorphs driven by a preference for …

A simple theory has been developed to explain quantitatively the multiple crystal growth rate
minima observed experimentally in polyethylene brassylates (PEBs), polymers with …

The crystallization and melting of semicrystalline polymers are one of the most fundamental
issues of polymer physics. However, how crystal orientation and thickness relate to the …

Using coarse-grained molecular dynamics simulations and a united-monomer model of PE,
single well-aligned multi-lamella PE crystals grown in previous work [ACS Macro Letters 12 …

Understanding and characterizing semi-crystalline models with crystalline and amorphous
segments is crucial for industrial applications. A coarse-grained molecular dynamics …

We report a simulation methodology to quantitatively predict the thermodynamic behaviour
(phase diagrams) of polymer mixtures, that exhibit phases with broken orientational …

This study integrates advanced mathematical modeling and experimental methodologies to
investigate the simultaneous impact of modifications in the split ratio and molecular weight …