کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
6743757 | 1429328 | 2017 | 4 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
First-principles calculation of Zr doping on cohesion properties of TiC/W interfaces
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موضوعات مرتبط
مهندسی و علوم پایه
مهندسی انرژی
مهندسی انرژی و فناوری های برق
پیش نمایش صفحه اول مقاله
![عکس صفحه اول مقاله: First-principles calculation of Zr doping on cohesion properties of TiC/W interfaces First-principles calculation of Zr doping on cohesion properties of TiC/W interfaces](/preview/png/6743757.png)
چکیده انگلیسی
The fundamental effects of Zr doping on cohesion properties of TiC/W interfaces were investigated by first-principles calculation. It suggested that the dissolution of Zr atom in TiC/W interface was an endothermic reaction. Calculations also revealed the conflicting role of Zr doping on the interfacial properties of W/TiC, i.e., the W site at the interface layer was favorably substituted by Zr atom, however, substituting Zr for C site at the interface layer could enhance interface stability and strength. In addition, the effects of Zr doping on interface properties were discussed in terms of electronic structures and charge densities to provide a deeper understanding, and the present results agree well with experimental observations in the literature.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Fusion Engineering and Design - Volume 125, December 2017, Pages 85-88
Journal: Fusion Engineering and Design - Volume 125, December 2017, Pages 85-88
نویسندگان
L. Chen, L. Xiong, D.S. Li, H.R. Gong,