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In this paper, the relationship between the liquid structure and the corresponding solidified microstructure of an Al-Si-Mg-P alloy was studied. Experimental results show  that Mg can reduce the phosphorous-modification effect if it was added after adding  Al-P alloy. However, when it is added before adding Al-P alloy, Mg has no effect on the  phosphorous-modification. It is considered that the difference in liquid structure induced by changing the adding order of Mg should be responsible for the above phenomenon, and was investigated by ab initio molecular dynamics simulation (AIMD). It was believed that the high-active Mg atoms could bond P atoms to form P-Mg clusters and then reduce the modification effect of AlP, when pure Mg was added into the prepared Al-Si-P melt. When the pure Mg was added into Al-Si melt before adding Al-P alloy, the Mg atoms would be first occupied by Si atoms to form Mg-Si clusters, and thus lose the ability to eliminate P-Al clusters which dissolve into melt later, leading to a good phosphorous-modification effect

The Effect of Mg Adding Order on the Liquid Structure and Solidified Microstructure of the Al-Si-Mg-P Alloy: An Experiment and ab Initio Study