利用Zope和Mishin提出的Ti-Al势函数形式,采用嵌入原子势描述原子间的相互作用,选取含25％Al原子的Ti-Al无序固溶体为研究对象,开展在两种给定降温速率和不同压力条件下Ti-Al合金快速凝固过程的分子动力学模拟.分析降温过程中体系平均原子能量、平均原子体积、径向分布函数和H-A键对比例的变化规律.从不同角度考察Ti-Al合金快速凝固形成晶态和非晶态合金的过程.研究压力对Ti-Al合金固溶体快速凝固过程及其产物的影响,结果表明:增大压力会减小平均原子体积,降低平均原子能量,同时提高晶化温度或玻璃转化温度.
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