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

Zahn D, Bitzek E (2014)

Publication Status: Published

Publication Type: Journal article, Original article

Publication year: 2014

Journal

PLoS ONE Public Library of Science

Publisher: Public Library of Science

Book Volume: 9

Article Number: e93309

Journal Issue: 4

DOI: 10.1371/journal.pone.0093309

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. © 2014 Zahn, Bitzek.

Authors with CRIS profile

Dirk Zahn Professur für Theoretische Chemie Erik Bitzek Professur für Datenbasierte Materialmodellierung

Additional Organisation(s)

Exzellenz-Cluster Engineering of Advanced Materials

Related research project(s)

Plastic deformation, crack nucleation and fracture in lightweight intermetallic composite materials (EXC315 EAM (A3-7)) Exzellenz-Cluster Engineering of Advanced Materials Nov. 1, 2007 - Oct. 31, 2017

How to cite

APA:

Zahn, D., & Bitzek, E. (2014). Shearing in a biomimetic apatite-protein composite: Molecular dynamics of slip zone formation, plastic flow and backcreep mechanisms. PLoS ONE, 9(4). https://dx.doi.org/10.1371/journal.pone.0093309

MLA:

Zahn, Dirk, and Erik Bitzek. "Shearing in a biomimetic apatite-protein composite: Molecular dynamics of slip zone formation, plastic flow and backcreep mechanisms." PLoS ONE 9.4 (2014).

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