Developing Highly Tough, Heat-Resistant Blend Thermosets Based on Silicon-Containing Arylacetylene: A Material Genome Approach.

Silicon-containing arylacetylene (PSA) resins exhibit excellent heat resistance, yet their brittleness limits the applications. We proposed using acetylene-terminated polyimides (ATPI) as an additive to enhance the toughness of the PSA resins and maintain excellent heat resistance. A material genome approach (MGA) was first established for designing and screening the acetylene-terminated polyimides, and a polyimide named ATPI was filtered out by using this MGA. The ATPI was synthesized and blended with PSA resins to improve the toughness of the thermosets. Influences of the added ATPI contents and prepolymerization temperature on the properties were examined. The result shows that the blend resin can resist high temperature and bear excellent mechanical properties. The molecular dynamics simulations were carried out to understand the mechanism behind the improvement of toughness. The present work provides a method for the rapid design and screening of high-performance polymeric materials.