EAGER: Thermal Transport in Ladder Polymers

Polymers are widely used in modern technologies, including in electronic devices for communications, computing, and defense, where a premium is placed on small size and low weight. However, their poor ability to conduct heat limits their use in thermal management applications for critical industries. This project explores a new class of polymers, ladder polymers, that may offer a breakthrough in polymer-based thermal materials. Ladder polymers have a unique double-stranded backbone structure, like a ladder, which limits the flexibility of their molecules from rotational motion and strengthens chemical bonds between atoms. These features were thought to improve heat conduction of the ladder polymers. However, preliminary findings reveal unexpected behavior: these polymers conduct heat less effectively along a single molecular chain than polyethylene, but they perform better than expected in bulk form. This surprising result suggests that current understanding of how polymer structure affects thermal conductivity is incomplete. By uncovering the principles behind heat transport in ladder polymers, this research not only will help improve future polymer design, but also will support the development of high-performance thermal interface materials for thermal management of electronics. Educational activities, including curriculum development and student research opportunities, will further extend the impact of this project.

This research will investigate the fundamental mechanisms of heat transport in ladder polymers using molecular dynamics simulations and vibrational mode analysis. The study will compare heat conduction in individual chains and bulk forms of ladder polymers to that in polyethylene, a well-understood single-stranded polymer. The work will address two scientific questions: (i) how the ladder structure influences heat transport along polymer chains, and (ii) how the rigidity of the backbone affects bulk thermal conductivity. This study will advance fundamental knowledge of nanoscale heat transport in polymers by addressing unexplored aspects of ladder polymer systems. Importantly, this research will expand the existing knowledge base of polymer thermal transport by adding the new structural category of ladder polymers to the broader dataset of polymer heat conduction studies. Insights from this work will guide the rational design of thermally efficient polymers and contribute broadly to materials science, thermal physics, and computational modeling. The project will also support graduate and undergraduate education in polymer science and thermal transport, promoting the training of future scientists and engineers.

This award reflects NSF's statutory mission and has been deemed worthy of support through evaluation using the Foundation's intellectual merit and broader impacts review criteria.

Award Number: 2526731
Principal Investigator: Zhiting Tian
Funds Obligated: $104,859
State: NY