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The interfaces between organic and inorganic phases in natural materials have a significant effect on their mechanical properties. This work presents a quantification of the interface stress as a function of interface chemical changes (water, organic molecules) in chitin–calcite (CHI–CAL) interfaces using classical non-equilibrium molecular dynamics (NEMD) simulations and steered molecular dynamics...
Nanoscale interfacial interactions between a polypeptide (e.g. tropocollagen (TC)) phase and a mineral (e.g. hydroxyapatite (HAP), aragonite) phase is a strong determinant of the strength of hard biological materials such as bone, dentin and nacre. This work presents a mechanistic understanding of such interfacial interactions by examining idealized TC and HAP interfacial systems. For this purpose,...
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