Short-Range Order Clusters in the Long-Period Stacking/Order Phases With an Intrinsic-I Type Stacking Fault in Mg-Co-Y Alloys

K. Guan, M. Egami, D. Egusa, H. Kimizuka, M. Yamasaki, Y. Kawamura, E. Abe
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引用次数: 21

Abstract

Abstract We have investigated short-range order (SRO) solute clusters in the long-period stacking/order (LPSO) phases with an intrinsic-I (I1) type stacking faults (SFs), which have been uniquely formed in Mg-Co-Y alloys, based on atomic-resolution scanning transmission electron microscopy (STEM) combined with first-principles calculations. The Co3Y5 SRO cluster model embedded across the I1-type SFs has been successfully constructed to satisfy the observed electron diffraction, STEM images and computed energetic stabilities. The optimized Co3Y5 cluster configurations appear to be significantly deviated from the host Mg atom positions and consequently provide a significant gain for the energetic stability of the I1-type LPSO phases. This is a similar phenomenon observed for the major LPSO phases with an intrinsic-II (I2) type SFs, and therefore the solute SRO clusters play an important key role for the formation and stability of the LPSO phases in ternary Mg alloys.
Mg-Co-Y合金长周期堆积/有序相中的短程有序团簇及其本征i型堆积缺陷
基于原子分辨率扫描透射电子显微镜(STEM)结合第一性原理计算,研究了Mg-Co-Y合金中具有本征i (I1)型层错(SFs)的长周期层序(LPSO)相中的短程有序(SRO)溶质团簇。成功构建了嵌入在i1型SFs上的Co3Y5 SRO簇模型,该模型能够满足观测到的电子衍射、STEM图像和计算得到的能量稳定性。优化后的Co3Y5簇构型明显偏离主Mg原子的位置,从而为i1型LPSO相的能量稳定性提供了显著的增益。这一现象在具有本征ii (I2)型SFs的主要LPSO相中也有观察到,因此溶质SRO团簇对三元Mg合金中LPSO相的形成和稳定性起着重要的关键作用。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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