Our recent research also includes polymer composite materials for low-Earth-orbit applications, with a particular focus on atomic oxygen collision simulations under space environments that are difficult to reproduce experimentally in a realistic and cost-effective manner. Using reactive molecular dynamics, we investigate the collision behavior of atomic oxygen with polymer composite surfaces, analyze the resulting reaction products, and predict the corresponding changes in material properties. Through this approach, we aim to establish a fundamental understanding of degradation pathways in extreme aerospace environments and to provide reliable simulation-based insights for the design of durable polymeric materials for space applications.

In the field of nuclear power materials, we are also conducting research from a molecular dynamics perspective to establish methodologies for predicting the radiation-induced degradation of epoxy polymers. Our work focuses on elucidating degradation mechanisms at the atomic scale, including bond scission, structural evolution, and property deterioration under irradiation conditions. To account for realistic irradiation environments, Monte Carlo radiation transport simulations (e.g., MCNP) are incorporated in a complementary manner. Through this approach, we aim to capture the complex interplay between radiation effects and polymer network evolution, thereby enabling a more comprehensive understanding of degradation behavior in extreme environments. Ultimately, this research provides a robust theoretical foundation for the rational design and reliability assessment of polymeric materials operating under radiation-intensive conditions.

An important aspect of this research is that it enables the evaluation of material stability and performance before extensive prototyping and environmental testing. By identifying key reaction pathways and structural changes at the molecular level, we can screen candidate materials more efficiently and assess their suitability for use in harsh service conditions. This approach not only improves the interpretability of degradation phenomena, but also provides a practical foundation for the development of polymer and composite systems with enhanced durability, safety, and long-term performance.