Advanced Materials: TechConnect Briefs 2015Advanced Materials TechConnect Briefs 2015

Informatics, Modeling & Simulation Chapter 2

Computational Design of Inhibited Primers

I.S. Cole, E. Sapper, C. Chu, M. Breedon, F. Chen
CSIRO, Australia

pp. 99 - 102

Keywords: computational design, inhibitor, primer, airframe

This paper reports on the development of computational design of inhibited primers. It is based on a platform that links models from the molecular scale to the engineered object scale ( airplanes). The platform stores all the permitted models at each scale. There can be more than one model for a given function at a given scale. The models being developed include a) Molecular scale models to define inhibitor surface interactions b) Model of inhibitor diffusion through a polymer c) Model of inhibitor and other ion movement from a paint film to a crack or defect in a paint film d) Model of pit initiation on structural aluminium in a saline solution e) Model of pit propagation f) Model of the electrochemistry and aqueous phase chemistry occurring g) Scenario Builder to define location and activity of an aircraft h) Model defining the microclimate of spaces within and exterior to the aircraft. i) Damage accumulator that keeps track of the progression of damage at the points of interest within an aircraft.