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

作者: Xiangzhen Zhu , Wei Jiang , Mingrui Li , Huan Qiao , Yuying Wu

DOI: 10.3390/MET5010040

关键词:

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

参考文章(18)
Xiangfa Liu, Jinguo Qiao, Yuxian Liu, Shitong Li, Xiufang Bian, None, Modification Performance of the Al-P Master Alloy for Eutectic and Hypereutectic Al-Si Alloys Acta Metallurgica Sinica. ,vol. 40, pp. 471- 476 ,(2004)
亓效刚, 边秀房, 马家骥, 刘相法, Structural heredity between Al5Ti1B and AlTi, AlB master alloys 中国有色金属学会会刊:英文版. pp. 806- 809 ,(1999)
李培杰, 张燕飞, None, Hereditary effect of Al-based modifiers and grain refiners on structure and properties of A356.2 alloys 中国有色金属学会会刊:英文版. ,vol. 12, pp. 233- 237 ,(2002)
Linus Pauling, The Nature of the Chemical Bond ,(1939)
G. Kresse, D. Joubert, From ultrasoft pseudopotentials to the projector augmented-wave method Physical Review B. ,vol. 59, pp. 1758- 1775 ,(1999) , 10.1103/PHYSREVB.59.1758
Jingyu Qin, Min Zuo, Tingkun Gu, Xiangfa Liu, The featured local structural units in liquid Al80Si15P5 alloy and their relationship with Si modification Journal of Alloys and Compounds. ,vol. 492, pp. 525- 528 ,(2010) , 10.1016/J.JALLCOM.2009.11.163
F. H. Samuel, A. M. Samuel, H. Liu, Effect of magnesium content on the ageing behaviour of water-chilled Al-Si-Cu-Mg-Fe-Mn (380) alloy castings Journal of Materials Science. ,vol. 30, pp. 2531- 2540 ,(1995) , 10.1007/BF00362130
G. Kresse, J. Furthmüller, Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set Computational Materials Science. ,vol. 6, pp. 15- 50 ,(1996) , 10.1016/0927-0256(96)00008-0
John P. Perdew, Yue Wang, Pair-distribution function and its coupling-constant average for the spin-polarized electron gas Physical Review B. ,vol. 46, pp. 12947- 12954 ,(1992) , 10.1103/PHYSREVB.46.12947