Zahn D, Duchstein P (2016)
Publication Type: Journal article
Publication year: 2016
Book Volume: 11
Article Number: e0157241
Journal Issue: 6
DOI: 10.1371/journal.pone.0157241
Fracture mechanisms of an enamel-like hydroxyapatite-collagen composite model are elaborated by means of molecular and coarse-grained dynamics simulation. Using fully atomistic models, we uncover molecular-scale plastic deformation and fracture processes initiated at the organic-inorganic interface. Furthermore, coarse-grained models are developed to investigate fracture patterns at the \textgreekmm-scale. At the meso-scale, micro-fractures are shown to reduce local stress and thus prevent material failure after loading beyond the elastic limit. On the basis of our multi-scale simulation approach, we provide a molecular scale rationalization of this phenomenon, which seems key to the resilience of hierarchical biominerals, including teeth and bone.
APA:
Zahn, D., & Duchstein, P. (2016). Multi-Scale Modelling of Deformation and Fracture in a Biomimetic Apatite-Protein Composite: Molecular-Scale Processes Lead to Resilience at the μm-Scale. PLoS ONE, 11(6). https://dx.doi.org/10.1371/journal.pone.0157241
MLA:
Zahn, Dirk, and Patrick Duchstein. "Multi-Scale Modelling of Deformation and Fracture in a Biomimetic Apatite-Protein Composite: Molecular-Scale Processes Lead to Resilience at the μm-Scale." PLoS ONE 11.6 (2016).
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