Molecular Dynamics Study of Glass Formation in Polymer Melts with Varying Chain Stiffness

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 remains elusive. In this work, we systematically investigate glass formation in unentangled linear polymer melts having variable chain stiffness using molecular dynamics simulation. Basic thermodynamic and dynamic properties are systematically analyzed upon approaching...