Computational Modeling of Nanocomposite Structures

Modern Army vehicles require durable, reliable, modular and lightweight structures for better maneuverability and performance. The carbon nanotube-reinforced composite materials have the potential to meet the needs and requirements of modern Army vehicles and soldiers. Research in nanomechanics is currently focused on the utilization of CNTs as reinforcements in polymer matrices (i.e., nanocomposites). The nanometer dimension of CNT and its interaction with a polymer chain requires a study involving the coupling of the length scales at the nanomolecular and higher order levels. In Phase I of this contract, multiscale analysis procedures were developed and used to evaluate CNTs and CNT-polymer interactions. The specific technical objectives of Phase II effort are: develop a sophisticated multi-scale based computational methodology using the understanding gained in Phase I, implement the multi-scale and multi-physics based models and formulations into a molecular dynamics and finite element computer programs, and develop a commercialization strategy that enables Army engineers to use the developed software and gain a fundamental understanding of various parameters influencing the material properties of nanocomposites for structural applications. Consequently, the computational procedures and the software developed herein for nanocomposites will have a significant impact on the design of lightweight composite army vehicles and soldier equipment.