Mechanical assessment of interfacial stability of LCP/MWCNT nanocomposites during phase transition

Abstract

Multi-walled carbon nanotubes (MWCNTs) have received considerable attention as functional additives for liquid crystalline polymers (LCPs) due to their excellent mechanical properties, light-to-heat conversion, and high compatibility with mesogenic cores. This study focuses on the effect of order-to-disorder phase transition on the mechanical properties of nanocomposites using classical molecular dynamics (MD) simulations. The results suggest that long-range p-p stacking of the aromatic rings on the nanotube surface is the key to maintaining mechanical stability under thermal loads. Thus, the MWCNT periphery effectively retards the progress of orientation field collapse with increasing temperature. The morphological consistency of the interfacial LCP allows the microstructure to preserve high load transfer efficiency even after experiencing high temperatures, improving the mechanical performance of nanocomposites.