Shearing in a biomimetic apatite-protein composite: molecular dynamics of slip zone formation, plastic flow and backcreep mechanisms

仿生磷灰石-蛋白质复合材料中的剪切:滑移区形成、塑性流动和反蠕变机制的分子动力学

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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.

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