Numerical Study of Mechanical Properties of Nanoparticles of β-Type Ti-Nb Alloy under Conditions Identical to Laser Sintering. Multilevel Approach

Abstract

A multilevel approach is used to numerically investigate physical and mechanical properties of titanium-based bcc alloys and their behavior under conditions identical to selective laser sintering. Plastic properties of P-Ti-Nb alloy are calculated within the first principles approach. An algorithm is proposed and tested to optimize the calculations and reduce their number by more than 5 times. A molecular dynamics method is employed to study structural changes of titanium and niobium powder particles during sintering and to calculate adhesion characteristics of nanoparticles of the produced alloy depending on the external action. The simulation results are in good agreement with the known experimental data and can be used as input data both for numerical models of a higher spatial scale and for the optimization of production parameters of titanium alloys by additive technologies.