کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
9837792 | 1525283 | 2005 | 9 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
First-principles investigation of the alloying effect of refractory elements Ta and W in the misfit dislocation core of γ/γⲠ(0 0 1) interface
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
فیزیک و نجوم
فیزیک ماده چگال
پیش نمایش صفحه اول مقاله
![عکس صفحه اول مقاله: First-principles investigation of the alloying effect of refractory elements Ta and W in the misfit dislocation core of γ/γⲠ(0 0 1) interface First-principles investigation of the alloying effect of refractory elements Ta and W in the misfit dislocation core of γ/γⲠ(0 0 1) interface](/preview/png/9837792.png)
چکیده انگلیسی
By use of first-principles DMol method based on density functional theory, we investigated the alloying effect of refractory elements such as Ta and W in a/2 [1 1 0] (0 0 1) misfit dislocation core of the γ/γⲠinterface in single-crystal Ni-base superalloys. The energetic calculations show that both the refractory elements can stabilize the a/2 [1 1 0] (0 0 1) misfit dislocation core. The analysis of the electronic structure indicates that there is charge accumulation between the refractory impurity atom and the neighboring Ni atoms, and the strong bonds between refractory impurities and Ni atoms are mainly due to the hybridization of impurity d-Ni d orbitals. The introduction of the two refractory impurities results in a strong pinning effect on the a/2 [1 1 0] (0 0 1) misfit dislocation motion in the γ/γⲠinterface.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Physica B: Condensed Matter - Volume 358, Issues 1â4, 15 April 2005, Pages 314-322
Journal: Physica B: Condensed Matter - Volume 358, Issues 1â4, 15 April 2005, Pages 314-322
نویسندگان
C.Y. Geng, C.Y. Wang, T. Yu,