Atomistic study of nucleation and migration of the basal/prismatic interfaces in Mg single crystals
Atomistic study of nucleation and migration of the basal/prismatic interfaces in Mg single crystals
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镁单晶基底/棱柱界面成核和迁移的原子研究
DOI：
10.1016/j.actamat.2017.03.035
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发表时间：
2016-11
期刊：
影响因子：
9.4
通讯作者：
Guo Ya-Fang
中科院分区：
文献类型：
--
作者：
Zu Qun;Tang Xiao-Zhi;Xu Shuang;Guo Ya-Fang
采用分子动力学模拟方法研究了Mg单晶在c轴张力作用下重取向晶体成核和生长过程中基底/棱柱（BP）界面的形成。BP界面通过局部原子重排的洗牌机制成核。两层不连续和一层不连续都有助于BP界面的迁移。三维分析表明，在部分锥位错与BP界面的交界处形成两层不连续。由于沿[1沿着[010]/[0001]方向错配的积累，BP界面断开倾向于向[1 2 10]方向而不是[1 010]/[0001]方向移动。此外，BP界面可以转化为{10 1 <$2}孪晶界面，反之亦然.从BP界面到孪晶界面的转化是通过BP界面断开的对角堆积过程进行的，而反向转化则是一个垂直堆积过程。BP变换和{10 1 2}孪晶都能有效地调节沿着c轴的拉伸应变。共存的BP界面和{10 1 <$2}孪晶界面允许孪晶界面与{10 1 <$2}孪晶面的较大偏差。
The formation of the basal/prismatic (BP) interfaces during nucleation and growth of a reoriented crystal in Mg single crystals under c-axis tension is investigated by molecular dynamics simulations. The BP interfaces nucleate by a shuffling mechanism via local atomic rearrangement. Both two-layer disconnection and one-layer disconnection contribute to the migration of the BP interfaces. The three-dimensional analysis reveals that the two-layer disconnection forms at the junction between the partial pyramidal dislocation and BP interface. The BP interfacial disconnections prefer to move towards the [1 2¯ 10] direction rather than the [1¯ 010]/[0001] direction due to the accumulation of mismatches along the [1¯ 010]/[0001] direction. Moreover, the BP interface can transform to the {10 1¯ 2} twin boundary and vice versa. The transformation from a BP interface to a twin boundary occurs through the diagonal pile-up of BP interface disconnections, and the reverse transformation involves an upright pile-up process. Both BP transformation and {10 1¯ 2} twinning can effectively accommodate the applied tensile strain along the c-axis. The co-existing BP interfaces and {10 1¯ 2} twin boundaries allow for large deviations of a twin interface from the {10 1¯ 2} twin plane.
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DOI：
10.11890/1006-7191-116-487
发表时间：
2011-12
期刊：
Acta Metallurgica Sinica (english Letters)
影响因子：
--
作者：
Qi Hong-Gang;Guo Yafang;Tang Xiao-zhi;X. Shuang
通讯作者：
Qi Hong-Gang;Guo Yafang;Tang Xiao-zhi;X. Shuang
影响因子：
4.7
作者：
J. Tu;Xianhe Zhang;Y. Ren;Q. Sun;Q. Liu
通讯作者：
J. Tu;Xianhe Zhang;Y. Ren;Q. Sun;Q. Liu
影响因子：
2.3
作者：
Zhiwei Shan;Boyu Liu
通讯作者：
Zhiwei Shan;Boyu Liu
影响因子：
1.9
作者：
Liu, XY;Ohotnicky, PP;Hyland, RW
通讯作者：
Hyland, RW
影响因子：
4
作者：
J. Tu;Xi-Yan Zhang;Jian Wang;Q. Sun;Qing Liu;C. Tomé
通讯作者：
J. Tu;Xi-Yan Zhang;Jian Wang;Q. Sun;Qing Liu;C. Tomé