The bottom-up prediction of the properties of polymeric materials based on molecular dynamics simulation is a major challenge in soft matter physics. Coarse-grained (CG) …
We provide a perspective on polymer glass formation, with an emphasis on models in which the fluid entropy and collective particle motion dominate the theoretical description and data …
We examine the influence of steady shear on structural relaxation in a simulated coarse- grained unentangled polymer melt over a wide range of temperature and shear rates. Shear …
YT Dong, XY Song, X Xu, S Jiang, JF Douglas… - …, 2024 - ACS Publications
The variation of polymer topology provides an alternative way to tune the properties of polymer materials without varying the chemistry of the monomers composing the polymer …
Polymer functionalization, the grafting of functional groups onto polymer chains with strong intermolecular interactions, is a promising approach currently being explored to improve the …
Numerous experimental and computational studies have established that most liquids seem to exhibit a remarkable, yet poorly understood, property termed “thermodynamic scaling”, in …
The emergence of the solid state in glass-forming materials upon cooling is accompanied by changes in both thermodynamic and viscoelastic properties and by a precipitous drop in …
Monomer chemical structure and architecture represent the most important characteristics of polymers that affect basic molecular parameters (such as the microscopic cohesive energy …
The key role of chain flexibility in polymer glass formation has long been appreciated, but a fundamental understanding of how chain stiffness influences polymer glass formation …