Reproducing the Extraordinary Mechanical Properties of Biominerals through Multiscale Simulation

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Biominerals represent a unique class of simultaneously strong, stiff, hard and tough composites that have been extensively studied by experimentalists and that to date we have not succeeded to replicate. This proposal aims to develop a fundamental understanding of the origins of the unusual mechanical properties of calcium carbonate biominerals and to reproduce the extraordinary mechanical properties of nacre in computer simulation as a direct result of its architecture and essential composition. This research will (1) establish a simulation tool that predicts the mechanical properties of biominerals from constituent molecules to millimeter-sized specimens, (2) determine the essential molecular structure and function of the organic interfaces that link the multi-level structures of nacre, (3) establish the precise nature of the effect of the hierarchical architecture as well as the organic interfaces on the mechanical properties of calcium carbonate biominerals, and (4) develop a fundamental understanding of the multiscale mechanics of hierarchically-structured composite materials.Success in reproducing the mechanical properties of biominerals in simulations, hence in understanding the mechanisms that give rise to the remarkable mechanical properties of biominerals, will lead to the development of next generation high-strength high-toughness ceramics. Success of this research will also stimulate students? interest in mechanics and mechanical engineering through the fascinating biological world. The research project will involve a diversity of students including female and minority students, undergraduate and graduate students, and will provide these students with an unparalleled opportunity to gain knowledge and to develop skills in an interdisciplinary research area. Computer models and codes developed will be posted for public use and for feedback. Research results will be published in journals and on the internet, and will be presented at conferences, seminars and workshops.