Synthesis of Ti_3AlC_2 by SHS and thermodynamic calculation based on first principles

摘要

In this paper, a self-propagating high-temperature combustion synthesis with the pseudo-hot isostatic pressing process(SHS/PHIP) was employed to fabricate high-pure Ti3AlC2(U 240 mm). In addition, the first principle with quasi-harmonic approximation was applied for the thermodynamic properties' investigation of Ti2AlC and Ti3AlC2, including Gibbs free energy, enthalpy, and entropy.With temperature increasing, Gibbs free energy increases,but enthalpy and entropy decrease. The present work provides the theoretical proof for the synthesis mechanism of Ti3AlC2 by SHS/PHIP.