(218a) Using Computational Methods At Boeing to Solve Emerging Material Issues

Boeing has been utilizing numerical modeling methods such as FEM and CFD for many years.  More recently Boeing has begun incorporating atomistic and quantum level simulations for standalone simulations and as inputs in higher level modeling.  Computational methods are being used to support emerging issues with existing material systems as well as provide a greater fundamental understanding of their behavior.   The development of new material systems and the capability to provide support for existing materials demand a versatile approach that quickly delivers innovative solutions at a reduced cost. 

Currently, atomistic MD is used to predict the thermal and mechanical responses of potential polymer candidates for use as sealants, coatings, and matrices in fiber-reinforced composites.  Molecular dynamics is also used to study transport properties of materials such as diffusivity and viscosity, which can be evaluated with equilibrium MD using Green-Kubo relationships.  Finally, quantum methods are used to predict materials’ resistance to UV degradation and to study the reaction mechanisms of epoxy-amine reactions for new polymer development. 

The need for these methods is fast becoming evident with an ever greater demand for reduced development cycles and material solutions.  Methods are being developed that are defining a critical direction for the discovery of high performance materials to meet the needs of advanced aircraft structures. Materials discovery augmented with computational methods can yield significant reduction in development cycle time and cost.