Photo-activated dynamic isomerization induced large density changes in liquid crystal polymers: A molecular dynamics study.

We use molecular dynamics simulations to unravel the physics underpinning the light-induced density changes caused by the dynamic trans-cis-trans isomerization cycles of azo-mesogens embedded in a liquid crystal polymer network, an intriguing experimental observation reported in the literature. We employ two approaches, cyclic and probabilistic switching of isomers, to simulate dynamic isomerization. The cyclic switching of isomers confirms that dynamic isomerization can lead to density changes at specific switch-time intervals.

Geometry Controlled Oscillations in Liquid Crystal Polymer Films Triggered by Thermal Feedback.

Light-induced oscillatory behavior of liquid crystal polymer network (LCN) films has been demonstrated by several researchers in the past decade. Similarly, oscillations in LCN films under constant thermal stimulus have been reported recently, although the mechanism and the factors that govern the oscillatory behavior are not well understood. In this work, we study the dynamics of self-sustained oscillations exhibited by LCN films under a constant thermal stimulus through experiments and simulations.

Response of adhesive polymer interfaces to repeated mechanical loading and the spatial variation of diffusion coefficient and stresses in a deforming polymer film.

Comprehensive molecular simulations are conducted to show that polymer crosslinks preserve the strength of solid-polymer (melt) interfaces when they are subjected to repeated mechanical loading. The spatial variation of the diffusion coefficient and local stresses is also investigated along the polymer thickness, during deformation. After each loading cycle, a reduction in entanglement strength is observed at the fracture site.