Nuclear Science and Engineering Directorate, Japan Atomic Energy Agency, Tokai-mura, Ibaraki, Japan.
J Phys Condens Matter. 2013 Jan 16;25(2):022202. doi: 10.1088/0953-8984/25/2/022202. Epub 2012 Dec 6.
There is a pressing need to improve the ductility of magnesium alloys so that they can be applied as lightweight structural materials. In this study, a mechanism for enhancing the ductility of magnesium alloys has been pursued using the atomistic method. The generalized stacking fault (GSF) energies for basal and prismatic planes in magnesium were calculated by using density functional theory, and the effect of the GSF energy on the dislocation core structures was examined using a semidiscrete variational Peierls-Nabarro model. Yttrium was found to have an anomalous influence on the solution softening owing to a reduction in the GSF energy gradient.
提高镁合金的延展性对于将其用作轻质结构材料至关重要。本研究采用原子方法探讨了提高镁合金延展性的机理。利用密度泛函理论计算了镁的基面和棱柱面的广义层错能,并使用半离散变分 Peierls-Nabarro 模型研究了层错能对位错芯结构的影响。发现钇由于降低了广义层错能梯度,对固溶软化具有反常影响。