Computational Nanomechanics of Noncollagenous Interfibrillar Interface in Bone

Yang Wang, Reza Morsali, Zhengwei Dai, Majid Minary-Jolandan, Dong Qian

Research output: Contribution to journalArticlepeer-review

9 Scopus citations


The noncollagenous interfibrillar interface in bone provides the critical function of transferring loads among collagen fibrils and their bundles, with adhesive mechanisms at this site thus significantly contributing to the mechanical properties of bone. Motivated by the experimental observations and hypotheses, a computational study is presented to elucidate the critical roles of two major proteins at the nanoscale interfibrillar interface, that is, osteopontin (OPN) and osteocalcin (OC) in bone. This study reveals the extremely high interfacial toughness of the OPN/OC composite. The previously proposed hypothesis of sacrificial bonds in the extracellular organic matrix is tested, and the remarkable mechanical properties of the nanoscale bone interface are attributed to the collaborative interactions between the OPN and OC proteins.

Original languageEnglish (US)
Pages (from-to)25363-25373
Number of pages11
JournalACS Applied Materials and Interfaces
Issue number22
StatePublished - Jun 3 2020
Externally publishedYes


  • bone
  • interfacial shear toughness
  • noncollagenous interfibrillar interface
  • osteocalcin
  • osteopontin
  • sacrificial bond

ASJC Scopus subject areas

  • General Materials Science


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