Structural and nano-mechanical characteristics of a novel mixture of natural hydroxyapatite materials: Insights from ab-initio calculations and experiments

Obinna A. Osuchukwu, Abdu Salihi, Ibrahim Abdullahi, David O. Obada, Simeon A. Abolade, Akinlolu Akande, Stefan Csaki

Research output: Contribution to journalArticlepeer-review

8 Citations (Scopus)

Abstract

In the present study, the sol–gel route assisted with heat treatment was used to synthesize a novel mixture of hydroxyapatite (HAp) powders, and a computational study via first principle atomistic simulations was utilized to understand the structural properties of the compounds. To reveal the morphological features and nano-mechanical properties of the powders and pellets, respectively, a scanning electron microscope was used for samples imaging, while nano-indentation was conducted using grid nano-indentation arrays. Data from ab-initio calculations were close to experimental data obtained through X-ray diffraction studies, while a gradient in the particle shapes and sizes were evident from the microstructures. The BC 25/75 sample showed enhanced mechanical properties comparatively.

Original languageEnglish
Article number132977
JournalMaterials Letters
Volume326
DOIs
Publication statusPublished - 1 Nov 2022

Keywords

  • Crystal structure
  • Defects
  • Microstructure
  • Sintering
  • Sol-gel preparation

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