The Effects of Initial Temperature and Pressure on the Mechanical Properties of Reinforced Calcium Phosphate Cement with Magnesium Nanoparticles; a Molecular Dynamics Approach

In today’s world, calcium phosphate cement is considered a remarkable development in repairing bone lesions and dental defects. Reinforcing cement with nanoparticles is a way to enhance the initial strength of cement. In this work, the calcium phosphate cement is reinforced with magnesium ion nanoparticles by using the molecular dynamics (MD) simulation method. This work investigates the mechanical and thermal properties of simulated samples. In this approach, the ultimate strength, Young's modulus, and thermal stability are studied. The effects of different initial temperature values and pressures have been researched next. As the initial temperature increased from 300 to 400 K, the ultimate strength and Young's modulus decreased from 0.879 and 0.171 MPa to 0.843 and 0.154 MPa, also the thermal stability reduced from 1321 to 1294 K. With increasing the initial pressure from 1 to 5 bar, the ultimate strength and Young's modulus enhanced from 0.879 and 0.171 MPa to 0.889 and 0.178 MPa. Also, the thermal stability increased from 1321 K to 1371 K by increasing initial pressure to 5 bar. One concluded the reinforced cement with nanoparticles shows more appropriate mechanical behavior and higher thermal efficiency at higher pressures, making this structure useful in bone regeneration and repair