کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
7889035 | 1509796 | 2018 | 26 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
First-principles study of adhesion strength and stability of the TiB2/TiC interface in composite materials
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
مهندسی مواد
سرامیک و کامپوزیت
پیش نمایش صفحه اول مقاله
![عکس صفحه اول مقاله: First-principles study of adhesion strength and stability of the TiB2/TiC interface in composite materials First-principles study of adhesion strength and stability of the TiB2/TiC interface in composite materials](/preview/png/7889035.png)
چکیده انگلیسی
The properties of a TiC(0 1 0) surface, a TiB2(0 1 1¯ 0) surface, and TiC(0 1 0)/TiB2(0 1 1¯ 0) interfaces were investigated by first-principles calculations. The work of adhesion (Wad), the interface energy (γint), and the electronic structure of the interfaces were determined. The results show that the C-BS1-B1, C-TS-B2, and Ti-BS1-B1 interfaces are the most stable interfaces. Among all models, the C-TS-B2 interface is most stable and exhibits the highest Wad value (4.77 J/m2) and the lowest γint value (1.12 J/m2). All three stable interfaces exhibit strong covalent bonding due to the interfacial C-sp and B-sp orbital hybridization; the stable interfaces investigated in this study are as stable as the TiC(1 1 1)/TiB2(0 0 0 1) interface reported in a previous study.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Ceramics International - Volume 44, Issue 2, 1 February 2018, Pages 1756-1763
Journal: Ceramics International - Volume 44, Issue 2, 1 February 2018, Pages 1756-1763
نویسندگان
Xiaojie Song, Ye Han, Xiao Wang, Weihui Liu, Jie Wu, Hongzhi Cui,