Glass formation and local structure evolution in rapidly cooled Pd55Ni45 alloy melt: Molecular dynamics simulation

摘要

Based on the embedded-atom method, a constant-pressure, constant-temperature (NPT) molecular dynamics (MD) technique is applied to investigate the glass forming ability (GFA) and the local structure evolution of Pd55Ni45 alloy. It is observed that the retention of amorphous structures requires extremely high quench rate (2 x 10(11) K/s). A series structure analysis methods are used to obtain the atomic description of glass formation process in Pd55Ni45 alloy. The local structure with more defected icosahedra than ideal icosahedra is obtained. (C) 2007 Elsevier B.V. All rights reserved.