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本文采用分子动力学模拟方法研究了在拉伸载荷下, 堆垛层错和温度对纳米多晶镁力学性能的影响. 在模拟中, 采用嵌入原子势描述镁原子之间的相互作用. 计算结果表明: 在纳米晶粒中引入堆垛层错能明显增强纳米多晶镁的屈服应力, 但堆垛层错对纳米多晶镁杨氏模量的影响很小; 温度为300.0 K时, 孪晶在晶粒交界附近形成, 孪晶随着拉伸应变的增加而逐渐生长. 当拉伸应变达到0.087时, 一种基面与X-Y面成大约35 角且内部包含堆垛层错的新晶粒成核并快速增长. 也就是说, 孪晶和新晶粒的形成和繁殖是含堆垛层错的纳米多晶镁在300.0 K温度下的主要变形机理. 模拟结果也显示, 当温度为10.0 K时, 位错的成核和滑移是含堆垛层错的纳米多晶镁拉伸变形的主要形式.The effects of stacking fault (SF) and temperature on the mechanical properties of nano-polycrystal Mg under tension loading are investigated by molecular dynamics simulations. The interatomic potential of embedded atom method (EAM) is used as the Mg-Mg interaction. The computational results show that the yield strength of nano-polycrystal Mg can be obviously enhanced when stacking fault is introduced into grains, and the effect of SF on the Young's modulus of nano-polycrystal Mg is very small. The results also show that tensile twins and new grain at 300.0 K are nucleated and initiated at grain boundaries, growing continuously with the increase of strain. The dihedral angel between the (1000) plane of new grain and the X-Y plane is about 35. In other words, the nucleation and the growth of twins and new grains are the predominant deformation mechanism for nano-polycrystal Mg at 300.0K. We also find that at 10.0K the dislocation nucleation and slip are the predominant modes of the plastic deformation for nano-polycrystal Mg.
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Keywords:
- stacking fault /
- molecular dynamics simulation /
- mechanical property







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