Synthesis and Molecular Dynamics Simulation of Photo-Thermal Responsive Liquid Crystal Shape Memory Polymers with Dynamic Diselenide Bonds

Abstract

To overcome the limitations of conventional shape memory polymers (SMPs) in terms of single-stimulus responsiveness and insufficient deformation diversity, this study designed and synthesized a series of liquid crystal SMPs (B-LCEn) integrated with dynamic diselenide bonds, achieving photo-thermal dual-responsive and optically controlled deformation manipulation. The structural and thermal properties of B-LCEn were meticulously investigated. Additionally, its thermogenic and photogenic shape memory were studied. The results demonstrate that, B-LCEn exhibited superior shape memory recovery properties under both heating and UV irradiation, maintaining its responsiveness over multiple cycles. This consistent performance simplifies the programming setups. Beyond empirical studies, molecular dynamics simulations were employed to forecast the impact of molecular weight on the mechanical properties and the volume-temperature correlation of B-LCEn. These simulations are instrumental in enhancing the design and synthesis of multifunctional B-LCEn. The research underscores the substantial promise of B-LCEn, particularly under gentle stimulation conditions and with its persistent dynamic exchange ability, for the development and utilization of soft actuators and intelligent materials.