Graphene is the strongest and highest weight-to-surface ratio material known, rendering it
an excellent building block for nanocomposites. Multi-layer graphene (MLG) assemblies …

Short fiber reinforced polymer composites have found extensive industrial and engineering
applications owing to their unique combination of low cost, relatively easy processing and …

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) …

Predicting the glass-transition temperatures (T g) of glass-forming polymers is of critical
importance as it governs the thermophysical properties of polymeric materials. The …

Polymer nanocomposite films have recently shown superior energy dissipation capability by
using the micro-projectile impact testing method. However, how stress waves interact with …

Multilayer graphene sheets (MLGSs) are promising nano-reinforcements that can effectively
enhance the mechanical properties of polymer matrices. Despite many studies on MLGSs …

In this work, a coarse-grained (CG) model of carbon nanotube (CNT) reinforced polymer
matrix composites is developed. A distinguishing feature of the CG model is the ability to …

In this work, we extend an approach to coarse-grained (CG) modeling for polymer melts in
which the conservative potential is parametrized using the iterative Boltzmann inversion (IBI) …

We present a systematic, two-bead per monomer coarse-graining strategy allowing for the
prediction of the thermomechanical behavior of polystyrene. Analytical bonded potentials …

The ability to predict the mechanical properties of organic semiconductors is of critical
importance for roll-to-roll production and thermomechanical reliability of organic electronic …