Revealing the Role of Chain Conformations on the Origin of the Mechanical Reinforcement in Glassy Polymer Nanocomposites

H Reda, A Chazirakis, AF Behbahani, N Savva… - Nano Letters, 2023 - ACS Publications
Understanding the mechanism of mechanical reinforcement in glassy polymer
nanocomposites is of paramount importance for their tailored design. Here, we present a …

A computational method for characterizing molecular-scale load transfer in polymer systems with structural heterogeneity

H Kim, J Choi - Polymer Journal, 2024 - nature.com
Contemporary polymer physics emphasizes polymer material design, which uses nano-and
microscale structures to predict and optimize material properties. Despite their importance …

Predicting mechanical heterogeneity in glassy polymer nanocomposites via an inverse computational approach based on atomistic molecular simulations and …

M Barakat, H Reda, P Katsamba, H Shraim… - Mechanics of …, 2024 - Elsevier
Probing the mechanical behavior of the region formed between a nanoparticle
reinforcement and a polymer matrix in a polymer nanocomposite structure, denoted as the …

Investigating the mechanical performance of graphene reinforced polymer nanocomposites via atomistic and continuum simulation approaches

M Barakat, H Reda, A Chazirakis, V Harmandaris - Polymer, 2023 - Elsevier
Graphene, having exceptional mechanical properties, is expected to improve the overall
mechanical performance of polymer nanocomposites when inserted as a nanofiller. In this …

Distribution of Mechanical Properties in Poly (ethylene oxide)/silica Nanocomposites via Atomistic Simulations: From the Glassy to the Liquid State

H Reda, I Tanis, V Harmandaris - Macromolecules, 2024 - ACS Publications
Polymer nanocomposites exhibit a heterogeneous mechanical behavior that is strongly
dependent on the interaction between the polymer matrix and the nanofiller. Here, we …

Probing the Linear‐to‐Plastic Transition in Polymer Nanocomposites via Atomistic Simulations: The Role of Interphases

H Reda, P Katsamba, A Chazirakis… - Macromolecular …, 2024 - Wiley Online Library
Polymer nanocomposites have found ubiquitous use across diverse industries, attributable
to their distinctive properties and enhanced mechanical performance compared to …