Atomic simulation of interaction mechanism between basal/prismatic interface and amorphous/crystalline interface of dual-phase magnesium alloys
Atomic simulation of interaction mechanism between basal/prismatic interface and amorphous/crystalline interface of dual-phase magnesium alloys
复制标题
双相镁合金基底/棱柱界面与非晶/晶界面相互作用机理的原子模拟
DOI：
10.1016/j.jnoncrysol.2019.119550
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发表时间：
2019-10
影响因子：
3.5
通讯作者：
Y.L. Li
中科院分区：
文献类型：
--
作者：
H.Y. Song;K. Zhang;M.R. An;L. Wang;M.X. Xiao;Y.L. Li
非晶/晶（A/C）双相纳米结构是提高镁合金力学性能的有效方法。然而，A/C接口（ACI）与各种缺陷之间的相互作用行为仍然不清楚。本文采用分子动力学模拟方法研究了纳米级A/C MgAl/Mg双相合金基体/棱柱界面（BPI）与ACI之间的相互作用机制。结果表明，ACI有一个显着的Peach-Koehler（吸引力或排斥力）控制界面位错在BPI的激活。当ACI和BPI（SAB）间距小于12.0nm时，界面位错的激活主要是由于界面吸引力的作用。相反，排斥力对位错的激活有影响。最大峰值应变随SAB的增加而线性增加，最大峰值应变延迟是由BPIs迁移引起的。
Dual-phase nanostructured amorphous/crystalline (A/C) model is an effective method to improve the mechanical properties of Mg alloys. However, the interaction behavior between A/C interface (ACI) and various defects is still unclear. Here, the interaction mechanisms between the basal/prismatic interface (BPI) and ACI of dual-phase nanoscale A/C MgAl/Mg alloys are investigated by molecular dynamics simulation method. The results indicate that the ACIs have a significant Peach-Koehler (attractive or repulsive) force to govern the activation of interfacial dislocations in BPI. When the spacing between ACI and BPI (SAB) is less than 12.0 nm, it is found that the attractive force plays a dominant role in interfacial dislocation activation. On the contrary, the repulsive force has an effect on the activation of dislocations. The results also show that the maximum peak strain increases almost linearly with increasing SAB, and the maximum peak strain delay is attributed to the strain contributed by BPIs migration.
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DOI：
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影响因子：
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