Molecualr dynamics study for diffusion process in amorphous and supercooled liquid Zr_(67)Ni_(33) alloys

摘要

The amorphous and liquid Zr_(67)Ni_(33) alloy is investigated using molecular dynamics simulation. The detail of atom motion in the amorphous and liquid alloys are analyzed by the graphcs of atom trajectories. In the amorphous state, the major motion is the thermal vibration. The cooperative jump motion and the slow translational motion are observed as minor motion. the microscopic energy distribution and the amplitude of thermal vibration are analyzed. The microscopic dynamics are discussed with the site energy distribution.