title: Shearing in a biomimetic apatite-protein composite: molecular dynamics of slip zone formation, plastic flow and backcreep mechanisms.
abstract: We report molecular dynamics simulations of shear in a biomimetic hydroxyapatite-collagen composite. Our model exhibits elastic properties fully dominated by the inorganic component. However, beyond the elastic regime the biomolecules along with the hierarchical nature of the composite account for the formation of structure-inherent slip zones. These accommodate shear without compromising the overall structure and lead to the sliding of intrinsically defined rods at roughly constant restoring force. Upon releasing load, rod displacement is reversible and backcreep is observed as gradual ionic rearrangement in the slip zone, subjected to an activation barrier.
authors.affiliation: Lehrstuhl für Theoretische Chemie/Computer Chemie Centrum, Friedrich-Alexander Universität Erlangen-Nürnberg, Erlangen, Germany.
authors.forename: Dirk
authors.initials: D
authors.lastname: Zahn
authors.affiliation: Department of Materials Science and Engineering, Friedrich-Alexander Universität Erlangen-Nürnberg, Erlangen, Germany.
authors.forename: Erik
authors.initials: E
authors.lastname: Bitzek
mesh_terms: D001031:Apatites / Q000737:chemistry*; D040761:Biomimetic Materials / Q000737:chemistry; D032701:Biomimetics; D003094:Collagen / Q000737:chemistry; D017886:Durapatite / Q000737:chemistry; D056004:Molecular Dynamics Simulation; D011506:Proteins / Q000737:chemistry*; D033081:Shear Strength
chemical_list: D001031:Apatites; D011506:Proteins; D003094:Collagen; D017886:Durapatite