Rapid cooling of TiAl-based alloy from α phase (disordered hexagonal, A3) generates phase (ordered tetragonal, L1o) grains through massive transformation nucleating mostly over the α/α grain boundaries. This current work deals with the identification and the validation of different nucleation mechanisms during massive transformation in TiAl-based alloys. Special attention has been given to the variant selection criteria for the nucleation of the massive structures along different types of α/α grain boundaries. The massive domains formed along the grain boundaries were analysed using high resolution electron backscattered diffraction (EBSD). Statistical studies were made on different nucleation sites and different mechanisms are proposed. Two–dimensional studies of the nucleation mechanism suggest that the minimization of the interfacial energy could be the predominant criteria during the grain boundary nucleation. In order to verify this nucleation criterion in three-dimensions, serial sections were made and EBSD maps were taken and analysed in each section. The variant selection observed during the nucleation and the growth of the massive grains is further discussed after getting a broader view under three-dimensional investigations.