不同取向下单晶铁纳米线拉伸行为的模拟研究.

In this paper, the effects of different orientations, size and temperature factors on the tensile deformation behavior of single-crystal body-centered cubic Fe nanowires were investigated using molecular dynamics simulations. The initial axial orientations of the iron nanowires are<001>, <110>,<111>,<102>, and <112>, and the deformation mechanisms were simulated at different temperatures (10-700K) and different size ranges (1.5 - 5nm). The results show that orientation, size and temperature significantly affect the tensile deformation behavior of single crystal body-centered cubic Fe nanowires. Molecular dynamics simulations show that <001> Fe nanowires with a diameter of 2 nm are deformed mainly through the mechanism of twinning under tensile loading at 300 K, and finally the tensile orientation is transformed to <110>. While at 700 K, the tensile deformation mode of <001 > Fe nanowires is dominated by slip mechanism. The deformation mechanisms of different initial orientations are very different at different temperatures and sizes, which leads to different mechanical properties of Fe nanowires. In this paper, we systematically investigate the transformation of the deformation mechanism of Fe nanowires under different orientations with the changes of size and temperature. [ABSTRACT FROM AUTHOR]