A molecular dynamics study of structural transition of Ti during the rapid quenching process |
| |
Authors: | J.H. Xia Z.F. ChengD.P. Shi Xu-yang Xiao |
| |
Affiliation: | Department of Physics, Chongqing University of Arts and Sciences, Chongqing 402160, PR China |
| |
Abstract: | The structural transitions of Ti during two different quenching processes (Q1: 7.5×1011 K/s, Q2: 2.0×1014 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. |
| |
Keywords: | Molecular dynamics simulation Metallic glass Structural transition |
本文献已被 ScienceDirect 等数据库收录! |