The recently established NASA Artemis mission reflects the growing interest of sending humans to colonize the Moon and Mars, and to explore more of our solar system. However, long-term space exploration requires technologies that can protect astronauts and space equipment from extreme space environments, such as extreme temperatures and carcinogenic radiation. While Carbon nanotubes have been investigated as space materials, boron-nitrogen nanotubes (BNNT) are just as mechanically strong, and can provide higher thermal resistance and radiation-shielding capabilities to address these harsh conditions. Furthermore, BNNT and BNNT polymer composites display unique piezoelectric properties that are scalable and useful in vibrational sensors and soft actuators. Experimentally finding the ultimate set of modifications and geometries that can produce BNNT and BNNT-polymer composites with the best properties under extreme space conditions may be infeasible, costly, and time-consuming. This project thus aims to accelerate this optimization process using virtual prototyping: We will employ computer simulations and first-principle calculations to understand the mechanisms governing the properties of multi-functional BNNTs and their composites. This fundamental knowledge, along with machine-learning algorithms, can then search for the set of parameters that give the best overall properties of these multifunctional materials for extreme space conditions. Moreover, this project can inform the design of theoretically new structures with mechanical, piezoelectric, and radiation-shielding properties superior to current state-of-the-art aerospace materials. If awarded, I would like to request a grant start date of August 23, 2021, which aligns with the start of the Fall semester at my host institution, Rice University.

This project could inform the design of theoretically new structures with mechanical, piezoelectric, and radiation-shielding properties superior to current state-of-the-art aerospace materials.