Principal Investigator Markus Buehler
Hierarchical biological protein materials are intriguing examples of multifunctional materials that combine disparate properties such as robustness, high strength, high elasticity, controllability and the ability to self-assemble and self-heal. In this project, fundamental concepts will be investigated via the analysis of two classes of protein materials: the beta-sheet rich spider silk and amyloid protein structure, and the alpha-helical intermediate filament motif found in the cell's cytoskeleton, also forming the basis of wool and hair. While the spider silk motif leads to highly elastic, strong fibrils, the intermediate filament protein represents a multifunctional self-organizing protein network. We will employ an innovative approach that combines theoretical analyses based on continuum-statistical theories with large-scale atomistic-based multi-scale simulation implemented on massively parallelized supercomputers. Our goal is to develop an atomistically informed, hierarchical continuum theory of protein materials that combines structural mechanics, statistical mechanics and chemistry, providing quantitative predictions of the elastic and strength properties of protein materials throughout a vast range of time scales.