Influence of microstructures on mechanical behaviours of SiC nanowires: a molecular dynamics study
Influence of microstructures on mechanical behaviours of SiC nanowires: a molecular dynamics study
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微观结构对 SiC 纳米线机械行为的影响：分子动力学研究
DOI：
10.1088/0957-4484/23/2/025703
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发表时间：
2012-01-20
期刊：
影响因子：
3.5
通讯作者：
Gao, Huajian
中科院分区：
文献类型：
--
作者：
Wang, Jun;Lu, Chunsheng;Gao, Huajian
用分子动力学模拟方法研究了具有不同微结构的[111]取向碳化硅纳米线的拉伸行为。研究结果揭示了微观结构对碳化硅纳米线的脆性和塑性的影响。塑性变形主要由3C晶沿晶间非晶膜的反平行滑动引起，晶间非晶膜平行于晶面，与纳米线轴线成19.47°角倾斜。我们的研究表明，在实验中观察到的碳化硅纳米线的力学性能的广泛分散性可能归因于它们不同的微结构。
The tensile behaviours of [111]-oriented SiC nanowires with various microstructures are investigated by using molecular dynamics simulations. The results revealed the influence of microstructures on the brittleness and plasticity of SiC nanowires. Plastic deformation is mainly induced by the anti-parallel sliding of 3C grains along an intergranular amorphous film parallel to the plane and inclined at an angle of 19.47° with respect to the nanowire axis. Our study suggests that the wide dispersion of mechanical properties of SiC nanowires observed in experiments might be attributed to their diverse microstructures.