A simulation study on the tensile behavior of single-crystal Fe nano wires under different orientations
In this paper,the effects of different orientations,size and temperature factors on the tensile deforma-tion 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(10～700 K)and different size ranges(1.5～5 nm).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 mecha-nisms 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 de-formation mechanism of Fe nanowires under different orientations with the changes of size and temperature.
Fe nanowiresTensile deformation behaviorMolecular dynamics simulations
万方数据
维普
