Molecular dynamics simulations of glassy polymers

JL Barrat, J Baschnagel, A Lyulin - Soft Matter, 2010 - pubs.rsc.org
We review recent results from computer simulation studies of polymer glasses, from the
chain dynamics around the glass transition temperature Tg to the mechanical behaviour …

Relaxation behavior of polymer thin films: Effects of free surface, buried interface, and geometrical confinement

B Li, S Zhang, JS Andre, Z Chen - Progress in Polymer Science, 2021 - Elsevier
The glass transition temperature (T g) of polymer thin films, one of the most important
parameters to characterize the relaxation behavior of polymer chains in a thin film, has been …

Immobilized polymer layers on spherical nanoparticles

SE Harton, SK Kumar, H Yang, T Koga, K Hicks… - …, 2010 - ACS Publications
Polymer properties, such as their mechanical strength, barrier properties, and dielectric
response, can be dramatically improved by the addition of nanoparticles. This improvement …

T g depression and invariant segmental dynamics in polystyrene thin films

VM Boucher, D Cangialosi, H Yin, A Schönhals… - Soft Matter, 2012 - pubs.rsc.org
We investigate the segmental dynamics and glass transition temperature (Tg) of polystyrene
(PS) thin films. The former is investigated by alternating current (AC) calorimetry and …

On the equivalence between the thermodynamic and dynamic measurements of the glass transition in confined polymers

RD Priestley, D Cangialosi, S Napolitano - Journal of non-crystalline solids, 2015 - Elsevier
Understanding why the glass transition temperature (T g) of polymers deviates substantially
from the bulk with nanoscale confinement has been a 20-year mystery. Ever since the …

Glass transitions in highly attractive highly filled polymer nanocomposites

J Moll, SK Kumar - Macromolecules, 2012 - ACS Publications
The influence of geometric confinement on the glass transition temperature (Tg) of small
molecules and high polymers has been thoroughly investigated in recent years. Starting with …

Major Impact of Cyclic Chain Topology on the Tg-Confinement Effect of Supported Thin Films of Polystyrene

L Zhang, R Elupula, SM Grayson, JM Torkelson - Macromolecules, 2016 - ACS Publications
High purity cyclic PS (c-PS) samples with number-average molecular weight (MW) of 3.4
and 9.1 kg/mol were synthesized via atom transfer radical polymerization and “click” …

Effects of nanoscale confinement and interfaces on the glass transition temperatures of a series of poly (n-methacrylate) films

RD Priestley, MK Mundra, NJ Barnett… - Australian Journal of …, 2007 - CSIRO Publishing
We use fluorescence from dye-labelled polymer to measure the glass transition
temperatures (Tgs) across single-layer films and near surfaces and silica interfaces in …

Effects of strong confinement on the glass-transition temperature in simulated atactic polystyrene films

D Hudzinskyy, AV Lyulin, ARC Baljon… - …, 2011 - ACS Publications
We have performed molecular dynamics simulations to explore the influence of confinement
on the glass-transition temperature T g for supported atactic-polystyrene (aPS) thin films of …

Glassy dynamics and glass transition in nanometric layers and films: A silver lining on the horizon

F Kremer, M Tress, EU Mapesa - Journal of Non-Crystalline Solids, 2015 - Elsevier
The long lasting highly controversial discussion on glassy dynamics and the glass transition
temperature of polymers in nanometric layers and films seems to be converging based on a …