The influence of different shaped osteocyte lacunae on microcrack initiation and propagation.

BACKGROUND: The morphology of osteocyte lacunae varies in bones of different ages and bone pathologies. Osteocyte lacunae can cause stress concentration and initiate microcracks. However, the influence of changes in osteocyte lacunar shape on microcrack is unknown. Therefore, the aim of this study was to determine the effects of osteocyte lacunae with different shapes on microcrack initiation and propagation. METHODS: Osteon models containing osteocyte lacunae with different shapes were established. The progressive damage analysis method, based on computer simulations, was used to study the evolution of microdamage within the osteon, including the processes of intralaminar and interlaminar microdamage. FINDINGS: Models with larger DoE values can effectively delay or prevent the formation of linear microcracks, which ensures high fracture toughness of cortical bone. It is subjected to stronger mechanical stimulation, making it more sensitive to loads. Models with smaller DoE values increase the load threshold for microdamage generation and reduces its impact on bone mechanical performance, making it less susceptible to microdamage than models with larger DoE values. INTERPRETATION: These findings enhance the limited knowledge of the influence of the lacunar shape on microdamage and contribute to a better understanding of bone biomechanics.

The fracture mechanical behavior simulation of calcium-deficient hydroxyapatite crystals by molecular dynamics and first-principles calculation.

Natural hydroxyapatite provides certain strength and stiffness to biological bones, and most of the studies on the strength of bone tissues have been carried out on hydroxyapatite (HAP). However, the Ca/P ratio of hydroxyapatite in bones is actually about 1.50, and the natural hydroxyapatite belongs to calcium-deficient hydroxyapatite (CDHA) with Ca vacancy defects. Therefore, this work focused on the effect of Ca vacancy defects on CDHA crystals through investigating the generation and expansion of microcracks under uniaxial tensile loading by combining molecular dynamics and first principles method. A series of crystal models with different Ca vacancy ratios are constructed and find that Ca vacancies degrade the mechanical properties of hydroxyapatite. Meanwhile the fracture behavior of crystals is detailed and find that the cracks arise at vacancies and extend along the direction of vacancies. Also, first-principles calculation is performed to reveal the mechanism of crack formation in MD simulations. It is found that the decrease of Ca-O bonding of CDHA causes the decrease of the stability of the crystal structure by analyzing the DOS of HAP and CDHA, and the cracks originate from Ca vacancies. This work performs more realistic simulations of CDHA with calcium vacancy defects in actual bone tissue and directly reveals the development and progression of bone fragility at the nanometer scale.