采用分子动力学方法对500个金属Cu原子的模型体系在熔化及晶化过程中的结构组态、能量变化进行了计算机模拟研究.原子间作用势采用FS势.模拟结果表明:在连续升温过程中,金属Cu在1444 K熔化;在较慢冷却条件下,液Cu在1014 K结晶;在较快冷速条件下,液Cu形成非晶态.从能量的角度分析了模拟过程中温度变化速率对结果的影响,并给出了体系微观结构与能量变化关系的物理图像.
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