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总结了目前镁合金晶粒细化技术中广泛应用的异质形核细化方法,并对其细化机理进行论述。边对边匹配(edge-to-edge matching,简称E2EM)模型与第一性原理计算方法均可以判断镁合金的潜在异质形核核心,是近年来研究异质形核晶粒细化的有效方法。向镁合金中添加溶质元素及中间合金等物质已成为现工业生产中广泛适用的细化技术。为了更好地从微观尺度理解晶粒细化机制,基于密度泛函理论(density functional theory,简称DFT)的第一性原理计算方法不仅能够准确提供界面处原子结合情况,还可以定量预测凝固中异质晶核与初生相之间界面能和黏附功等,为晶粒细化剂的发展提供了理论基础,在镁合金晶粒细化中发挥越来越重要的作用。
The method of heterogeneous nucleation extensively used in the grain refinement of magnesium alloys is summarized, and its refining mechanism is discussed. Edge-to-edge matching (E2EM) model and first-principles calculation method can determine the potential heterogeneous nucleation of magnesium alloy, which is the most effective way to study the grain refinement of heterogeneous nuclei in recent years. method. The addition of solute elements and intermediate alloys to magnesium alloys has become a widely applicable refining technique in industrial production. In order to better understand the mechanism of grain refinement at the microscopic level, the first-principle calculation method based on density functional theory (DFT) can not only accurately provide the atomic binding at the interface, but also quantitatively predict the solidification The interfacial energy and adhesion work between the heterogeneous nuclei and the primary phase provide the theoretical basis for the development of grain refiner and play more and more important role in the grain refinement of magnesium alloy.