The Clustering of Zn6Y9 and Its Predominant Role in Long Period Stacking Order Phases in Mg-Zn-Y Alloys:a First-principles Study
The local structures of Zn and Y in the long period stacking order (LPSO) phase in Mg-Zn-Y system were investigated by first principles calculations in details.The clustering of Zn and Y atoms ranging from single stacking fault layer to four consecutive layers was explicitly demonstrated.The calculations indicate that Zn and Y atoms prefer clustering in the form of Zn6Y9 embedding in ABCA-type building block to the random or ordered arrangements of Zn and Y atoms being enriched in two stacking fault layers.The cluster of Zn6Y9 can be regarded as the ideal stoichiometric component of LPSO and it plays a predominant role in the LPSO phases.The formation of LPSO phases is highly associated with the Zn6Y9 cluster and its derivatives.
Magnesium alloys Long period stacking order phases First-principles study
Shangyi Ma Limin Liu Shaoqing Wang
Shenyang National Laboratory for Materials Science, Institute of Metal Research, Chinese Academy of Beijing Computational Science Research Center, Chinese Academy of Engineering Physics,Beijing 100084
国际会议
the Chinese Materials Congress 2012(2012年中国材料大会(CMC2012))
太原
英文
569-576
2012-07-13（万方平台首次上网日期，不代表论文的发表时间）