KSEF RDE: Development ofTunable 3D Carbon Nanomaterials

Carbon nanomaterials, including vertically aligned carbon nanotubes arrays (VACNTs) and 3D vertically aligned carbon nanotubes networks (3D VACNTs), are emerging new materials that may promise superior mechanical, thermal, and electrical properties. The carbon nanomaterials have the huge potential for a wide range of applications, including lightweight and multifunctional composites, high-efficiency batteries and ultracapacitors, high temperature and durable thermal coatings, etc. Unlike traditional materials (metals, ceramics and polymers) whose microstructures are relatively “fixed”, carbon nanotube materials (VACNTs and 3D VACNTs) are highly “tunable” from the structure standpoint. To date, a rational strategy to design and synthesis the carbon nanomaterials is still lacking. The ultimate goal of this research project is to design and process carbon nanomaterials through innovated “Integrated Computational Material Engineering (ICME)”. ICME, a brand new material development model recommended recently by the National Materials Advisory Board of the National Academy, 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. Various architectures will be constructed and analyzed to obtain the optimal performance. Nano-scale tests will be performed to characterize the responses of the materials. The integrated computational design will provide inputs for creating novel carbon nanomaterials.