Exploring Sintering, Densification, and Mechanical Behaviour of Invar Alloys through Molecular Dynamics Simulations

In this work, the molecular dynamics simulation method is employed to understand the sintering behaviour and mechanical properties of the Invar alloy. The densification behaviour of Invar alloy nanoparticles with different sizes at a fixed sintering temperature is investigated. The influence of external pressure is also simulated. Finally, the uniaxial tensile test is employed to study the mechanical response of the sintered product. The results show a qualitative relationship between particle size, external pressure, densification, and mechanical properties. Smaller particle sizes and higher external pressure promote densification. The uniaxial tensile results show that the sintered structure has a lower Young’s modulus than the bulk crystal because of the porosity, and the sample with high porosity has a low value of mechanical strength.