کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
7988538 | 1515857 | 2014 | 10 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
First-principles studies on structural, mechanical, thermodynamic and electronic properties of Ni-Zr intermetallic compounds
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
مهندسی مواد
فلزات و آلیاژها
پیش نمایش صفحه اول مقاله
![عکس صفحه اول مقاله: First-principles studies on structural, mechanical, thermodynamic and electronic properties of Ni-Zr intermetallic compounds First-principles studies on structural, mechanical, thermodynamic and electronic properties of Ni-Zr intermetallic compounds](/preview/png/7988538.png)
چکیده انگلیسی
The structural, mechanical, thermodynamic and electronic properties of binary Ni-Zr intermetallic compounds have been investigated by performing first-principles calculations. The results indicated that the structural parameters of these Ni-Zr intermetallic compounds agree well with the available experimental and other theoretical values. With increasing of Zr-content, the mass density and bulk modulus of these Ni-Zr intermetallic compounds decrease. Besides, Ni5Zr is the most stiffness phase and NiZr2 is the most ductile phase among these binary Ni-Zr intermetallic compounds. The structural stability of these Ni-Zr alloys ascends with Zr-content increasing. Furthermore, all the binary Ni-Zr intermetallic compounds considered in this work are conductive phases, and they are thermodynamically stable.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Intermetallics - Volume 54, November 2014, Pages 110-119
Journal: Intermetallics - Volume 54, November 2014, Pages 110-119
نویسندگان
Jinglian Du, Bin Wen, Roderick Melnik, Yoshiyuki Kawazoe,