PHASE STRUCTURE TRANSITION OF LIQUID COPPER DURING RAPID COOLING BY MD SIMULATION
快速凝固过程中纯铜相结构转变的分子动力学模拟

The structural characteristics of liquid Cu and structural evolution during rapid cooling have been simulated by MD technique. EAM was used as many-body interaction.Bond orientational order parameters and pair analysis technique were applied to detect the microstructure of liquid, supercooled liquid. non- crystalline and crystalline states. It was shown that EAM is able to describe the complicated disorder system. The calculated pair distribution function was almost the same as the experimental result.The calculated critical point of non-crystalline transition was in reasonable agreement with theoretical value