Controlling mechanical properties of a polymeric glass

TL;DR

This study uses molecular simulations to explore how particle size, volume fraction, and interactions influence the mechanical properties and glass transition temperature of polymeric glasses, revealing links between mobility, heterogeneity, and elasticity.

Contribution

It introduces a systematic simulation approach to control and understand the mechanical behavior of polymeric glasses through particle-level modifications.

Findings

Particle size and volume fraction significantly affect elastic moduli.

Polymer-particle interactions influence glass transition temperature.

Mobility and dynamic heterogeneity are linked to mechanical properties.

Abstract

In this work we use molecular simulations to examine methods of controlling mechanical properties of polymeric glass materials such as elastic moduli, mechanical heterogeneity as well as their glass transition temperature. We study filled and unfilled polymers and examine the effect of particle size, volume fraction and polymer-particle interactions. We identify a relationship between mobility and dynamic heterogeneity with elastic moduli and glass transition temperature.