Atomistic simulation study of deformation twinning of nanocrystalline body-centered cubic Mo
Atomistic simulation study of deformation twinning of nanocrystalline body-centered cubic Mo
复制标题
纳米晶体心立方Mo变形孪晶的原子模拟研究
DOI：
10.1016/j.msea.2017.02.105
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发表时间：
2017-04
期刊：
影响因子：
--
通讯作者：
Liangquan Ge
中科院分区：
文献类型：
--
作者：
Xiaofeng Tian;Dan Li;You Yu;zhenjiang You;Tongye Li;Liangquan Ge
采用分子动力学模拟方法研究了纳米晶体心立方钼的形变孪晶，分析了晶粒尺寸和温度对形变孪晶的影响。晶粒尺寸较小的纳米晶Mo在拉伸变形过程中，伴随晶粒长大的晶粒旋转起着重要作用。此外，晶粒旋转和由GB介导过程控制的变形导致难以产生裂纹。孪晶是在小晶粒系统中由晶界连续发射的孪晶分波形成的。但在大晶粒中也发现了GB劈裂和两个扩展位错重叠的孪晶机制。在我们的模拟中观察到了孪晶诱导裂纹尖端，这证实了以前的分子动力学模拟的结果。在较高的温度下，GB活性可以被热激活，从而抑制了孪晶倾向，提高了纳米晶Mo的塑性。
Deformation twinning of nanocrystalline body-centered cubic Mo was studied using molecular dynamics simulations, and the effects of grain sizes and temperatures on the deformation were evaluated. With small grain size, grain rotation accompanying grain growth was found to play important role in nanocrystalline Mo during tensile deformation. Additionally, grain rotation and the deformation controlled by GB-mediated processes induce to the difficulty of creating crack. Twin was formed by successive emission of twinning partials from grain boundaries in small grain size systems. However, the twin mechanisms of GB splitting and overlapping of two extended dislocations were also found in larger size grain. Twin induced crack tips were observed in our simulation, and this confirmed the results of previous molecular dynamics simulations. At higher temperatures, GB activities can be thermally activated, resulting in suppression of twinning tendency and improvement of ductility of nanocrystalline Mo.
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影响因子：
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作者：
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影响因子：
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