کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
7990151 | 1516126 | 2018 | 5 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Cohesion properties of W-ZrC interfaces from first principles calculation
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
مهندسی مواد
فلزات و آلیاژها
پیش نمایش صفحه اول مقاله
چکیده انگلیسی
Six interface models are constructed and used to find out the cohesion properties of W-ZrC interfaces through first principles calculations. It is revealed that interface orientation has an important effect on heat of formation and interface strength of W-ZrC interfaces, i.e., the W(110)-ZrC(111) interfaces with the Kurdjumov-Sachs (KS) relationship are not only energetically more favorable with more positive heats of formation, but also possess higher work of separation. Electronic structure calculations also show that the W-C bond fundamentally determines the magnitude of the interface cohesion between W and ZrC. The derived results are in good agreement with experimental observations in the literature, and could provide a deep understanding of cohesion properties of W-ZrC interfaces.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Alloys and Compounds - Volume 768, 5 November 2018, Pages 387-391
Journal: Journal of Alloys and Compounds - Volume 768, 5 November 2018, Pages 387-391
نویسندگان
Jing Qian, C.Y. Wu, H.R. Gong, S.F. Zhou,