论文部分内容阅读
采用分子动力学方法和修正的嵌入原子势(MEAM),系统地研究了Mg,Si,Fe 3种元素与Al刃型位错的相互作用。研究结果表明,在铝合金中,Mg,Si,Fe 3种合金元素都易于偏聚到位错周围,且Mg和Si与位错的相互作用强于Fe,展现了更良好的固溶强化效果。另外,为了阐明时效强化时铝合金中元素聚集对材料力学性能的影响,进而研究了不同尺寸的Mg团簇与位错的相互作用,研究发现铝合金中的大尺寸的团簇与位错相互作用更强烈,与位错相互吸引,产生明显的钉扎作用,阻碍位错的运动。本研究从原子尺度分析了铝合金中不同种类元素(Mg,Si,Fe)和不同尺寸的元素团簇与位错的相互作用,阐述了时效过程中合金元素对材料强化的影响,为今后实验和新型铝合金的开发提供了理论指导。
The interaction between Mg, Si, Fe and Al edge type dislocations has been studied systematically using molecular dynamics method and modified intercalation atom potential (MEAM). The results show that Mg, Si, Fe 3 alloying elements tend to segregate around the dislocations, and the interaction between Mg and Si and dislocations is stronger than that of Fe, which shows a better solid solution strengthening effect. In addition, in order to clarify the effect of elemental aggregation on the mechanical properties of the material during the aging strengthening, the interaction between Mg clusters and dislocations of different sizes was also studied. It was found that large size clusters and dislocations in the aluminum alloy The effect is more intense, and dislocation attract each other, resulting in obvious pinning effect, impeding the movement of dislocation. In this study, the interaction between different kinds of elements (Mg, Si, Fe) and dislocations of different sizes in aluminum alloy was analyzed from atomic scale. The effects of alloying elements on the strengthening of materials during aging were expounded. And the development of new aluminum alloy provides a theoretical guidance.