Computational Materials: Modeling and Simulation of Nanostructured Materials and Systems

The paper provides details on the structure and implementation of the Computational Materials Program at the NASA Langley Research Center. Examples are given that illustrate the suggested approaches to predicting the behavior and influencing the design of nanostructured materials such as high-performance polymers, composites, and nanotube-reinforced polymers. Primary simulation and measurement methods applicable to multi-scale modeling are outlined. Key challenges including verification and validation of models are highlighted and discussed within the context of NASA ’s broad mission objectives. Introduction “I have not failed. I’ve just found 10,000 ways that don’t work.” -Thomas Alva Edison (1 847-1 93 1) Each distinct age in the development of humankind has been associated with advances in materials technology. Historians have linked key technological and societal events with the materials technology that was prevalent during the “stone age,” “bronze age,” and