Past Awardee

Multi-scale and Multi-physics Modeling of Na-PS Geopolymer Cement Composites

Ange-Therese Akono

College: Grainger College of Engineering
Award year: 2016-2017

Akono aims to use finite element analysis and molecular dynamics at extreme scales to investigate the processing-microstructure-properties relationships in Na-PS inorganic polysialates or metakaolin geopolymer cements from the nanometer length scale up to the macroscopic length-scale. The numerical model will be validated against results from multi-scale experiments. High performance computing will enable to (1) simulate large structures with millions of grains and interfaces and (2) bridge the molecular and continuum length-scale. The expected outcome is a 3-D mechanistic framework that can be used to design strong geopolymer composites with a wide range of application including advanced low-emitting construction materials, recycling of type F fly ash, low-level radioactive waste encapsulation, fire-and-corrosion resistant coatings and thermal barrier coatings.