Lattice correspondence analysis on the formation mechanism for partial stacking faults in hexagonal close-packed metals
Lattice correspondence analysis on the formation mechanism for partial stacking faults in hexagonal close-packed metals
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六方密排金属部分堆垛层错形成机制的晶格对应分析
DOI：
10.1016/j.commatsci.2021.110684
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发表时间：
2021-10
影响因子：
3.3
通讯作者：
张喜燕
中科院分区：
文献类型：
--
作者：
李斌;孙奇;张喜燕
在密排六方晶系金属中，{10 1-1}和{10 1-2}孪晶内部经常观察到部分层错。由Song和Gray首先描述的PSF的形成，仅使每隔一个基面上的原子移位，这与由肖克莱部分位错产生的常规SF形成鲜明对比，其中可以定义全局位移矢量。实验验证这个过程是具有挑战性的。为了理解PSF的形成机制，在这项工作中，我们进行晶格对应分析的原子模拟的{10 1-1}和{10 1-2}孪生模式在Mg，Ti和Co。在这种策略中，对应的平面的母体的棱镜平面的孪晶被预先选择和跟踪之前和之后的孪晶。然后，原子的位置进行了检查，以揭示由于形成的基础SF的原子堆叠位置的变化在孪晶。结果表明，事实上，只有那些在每隔一个基面上的原子通过形成PSF而位移，这表明没有全局位移矢量可以被定义，并且没有位错活动参与PSF的形成。从而验证了PSF的提出。观察到一种特殊的配置的PSF，通过协调原子洗牌具有有限的流动性。详细分析了I1、I2层错与PSF的结构差异。PSFs的形成机制可以扩展到其他HCP金属。
Partial stacking faults (PSFs) have been frequently observed inside {10 1-1} and {10 1-2} twins in hexagonal close-packed (HCP) metals. Formation of PSFs, first described by Song and Gray, only displaces atoms on every other basal plane, in stark contrast to conventional SFs created by Shockley partial dislocations in which a global displacement vector can be defined. To experimentally verify this process is challenging. To understand the formation mechanism of the PSFs, in this work, we performed lattice correspondence analysis in atomistic simulations of {10 1-1} and {10 1-2} twinning modes in Mg, Ti and Co. In this strategy, the corresponding planes of the parent to the prismatic plane of the twin were pre-selected and tracked before and after twinning. Then, the atomic positions were examined to reveal atomic stacking position change in the twin due to the formation of the basal SFs. The results show that, indeed, only those atoms on every other basal plane are displaced by the formation of PSFs, indicating that no global displacement vector can be defined and no dislocation activities are involved in the formation of PSFs. Thus, the proposition of PSF is validated. A special configuration of PSFs was observed, which has limited mobility via coordinated atomic shuffles. A detailed analysis on the structural differences between I 1, I 2 stacking faults and PSFs was provided. The formation mechanism of PSFs can be extended to other HCP metals.
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六方密排金属中的非平衡基底堆垛层错
影响因子：
9.4
作者：
Zhang, X. Y.;Li, B.;Liu, Q.
通讯作者：
Liu, Q.
影响因子：
6
作者：
Xianhe Zhang;Bin Li;Q. Sun
通讯作者：
Xianhe Zhang;Bin Li;Q. Sun
DOI：
--
发表时间：
1996
期刊：
--
影响因子：
--
作者：
Xiang Liu;J. B. Adams;F. Ercolessi;J. Moriarty
通讯作者：
Xiang Liu;J. B. Adams;F. Ercolessi;J. Moriarty
影响因子：
3.3
作者：
Henry H. Wu;D. Trinkle
通讯作者：
Henry H. Wu;D. Trinkle
DOI：
10.1016/0502-8205(49)90004-0
发表时间：
1949-01-01
期刊：
PROGRESS IN METAL PHYSICS
影响因子：
--
作者：
COTTRELL, AH
通讯作者：
COTTRELL, AH