KY EPSCoR: Integrated Computational Material Engineering for Developing 3D Carbon Nanomaterials for Space Exploration Applications

Carbon nanomaterials, including 1D vertically-aligned carbon nanotube, 2D single-atomic layer graphene, and the latest 3D pillared nanotube-graphene, are emerging new materials that have demonstrated superior thermal, electrical, and mechanical properties. The carbon nanomaterials have the huge potential for a wide range of space exploration applications, including lightweight and multifunctional composites for vehicles and rovers, high-efficiency batteries and ultracapacitors for energy storage devices, lightweight thermal coatings for hypersonic jets, etc. However, the architectures and properties of the carbon nanomaterials, particularly the recently developed 3D nanotube-graphene nanostructures, have not yet been fully explored. The ultimate goal of this research project is to design of Carbon Nanomaterials through Integrated Computational Material Design and Processing (ICMDP). Integrated Computational Material Engineering is an emerging discipline that aims to integrate computational materials science tools into a holistic system that can accelerate materials development, transform the engineering design optimization process, and unify design and manufacturing. In this project, multiscale computational models at different length scales will be established to simulate nanotube materials (tubes, graphemes, pillars). Various architectures will be constructed and tested to obtain the optimal properties. Nano-scale tests will be performed to characterize the responses of the materials to validate the computational models. It is expected that the computational models will provide rational strategies for creating novel carbon nanomaterials for space exploration applications.