Size- and temperature-induced phase transformations of titanium nanoparticles
School of Materials Science and Engineering, Central South University - Changsha, 410083, PRC
2 Key Laboratory of Non-ferrous Materials Science and Engineering, Ministry of Education - Changsha, 410083, PRC
3 State Key Laboratory of Powder Metallurgy, Central South University - Changsha, 410083, PRC
Accepted: 18 February 2011
The size-temperature phase diagram of titanium nanoparticles has been obtained by calculating the corresponding Gibbs free energies of the FCC, BCC and HCP structures. It is found that these structures can transform from one into the other at specific sizes and temperature ranges, which is consistent with the available data reported in the literatures. Most importantly, we firstly predict that titanium particles with BCC structure can change to the FCC one in the size range 8.1–27.3 nm and in the temperature range 1156–1715 K.
PACS: 64.70.Nd – Structural transitions in nanoscale materials / 61.46.-w – Structure of nanoscale materials / 61.46.Hk – Nanocrystals
© EPLA, 2011