Effect of nano-scale constraint on the mechanical behaviour of osteopontin–hydroxyapatite interfaces

Lai, Zheng Bo, Bai, Ruixiang, & Yan, Cheng (2017) Effect of nano-scale constraint on the mechanical behaviour of osteopontin–hydroxyapatite interfaces. Computational Materials Science, 126, pp. 59-65.

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Abstract

In many biological materials, the interfacial behaviour between constituents such as protein and minerals greatly contributes to the overall mechanical behaviour. However, the governing mechanisms, in particular at small material length scales, have not been clearly understood. This paper presents a molecular dynamics (MD) study of the mechanical behaviour of osteopontin (OPN) and hydroxyapatite (HA) interfaces under different geometrical constraints. The results indicate that some OPN residues are attracted to the HA layers during loading. The formation of new interfacial bonds leads to a stick-slip type motion of the OPN peptides along the HA surfaces, resulting in high pulling force and energy dissipation. The attractive interaction energy and energy dissipation generally increase with reducing the gap distance between the HA layers, demonstrating a significant nano-scale constraint effect.

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ID Code: 99560
Item Type: Journal Article
Refereed: Yes
Keywords: Osteopontin, Hydroxyapatite, Interface mechanics, biomaterials, numerical modeling
DOI: 10.1016/j.commatsci.2016.09.021
ISSN: 0927-0256
Subjects: Australian and New Zealand Standard Research Classification > ENGINEERING (090000) > BIOMEDICAL ENGINEERING (090300) > Biomaterials (090301)
Australian and New Zealand Standard Research Classification > ENGINEERING (090000) > MATERIALS ENGINEERING (091200) > Composite and Hybrid Materials (091202)
Australian and New Zealand Standard Research Classification > ENGINEERING (090000) > MECHANICAL ENGINEERING (091300) > Numerical Modelling and Mechanical Characterisation (091307)
Divisions: Current > Schools > School of Chemistry, Physics & Mechanical Engineering
Current > QUT Faculties and Divisions > Science & Engineering Faculty
Copyright Owner: Copyright 2016 Elsevier
Copyright Statement: Licensed under the Creative Commons Attribution; Non-Commercial; No-Derivatives 4.0 International. DOI: 10.1016/j.commatsci.2016.09.021
Deposited On: 27 Sep 2016 22:21
Last Modified: 04 Oct 2016 23:10

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