A molecular dynamics study of structural transition of Ti during the rapid quenching process

作者：Xia J H^*; Cheng Z F; Shi D P; Xiao Xu yang

来源：Physica B: Condensed Matter , 2012, 407(12): 2112-2118.

DOI：10.1016/j.physb.2012.02.016

• Molecular dynamics simulation
• Metallic glass
• Structural transition

The structural transitions of Ti during two different quenching processes (Q1: 7.5 x 10(11) K/s, Q2: 2.0 x 10(14) K/s) were studied using molecular dynamics simulations. The calculated pair-correlation function agrees acceptably with available experimental data. This work gives the structural properties, including the variations with temperature of pair-correlation function, bond-angle distribution function, bond pairs and Voronoi indices, in both rapid quenching processes. Our results indicated that the liquid Ti transformed to hcp phase at the temperature about of 400 K under the quenching condition Q1 while the liquid Ti was frozen into a glass state at the temperature about of 800 K under the quenching condition Q2.

• 出版日期2012-6-15
• 单位重庆大学