کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1502494 | 993423 | 2006 | 4 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Structural stability of intermetallic phases in the Zr–Sn system
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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: Structural stability of intermetallic phases in the Zr–Sn system Structural stability of intermetallic phases in the Zr–Sn system](/preview/png/1502494.png)
چکیده انگلیسی
A thermodynamic description of the intermetallic compounds in the Zr–Sn binary system has been obtained using total energy calculations by means of the Vienna ab initio simulation package. Our calculations show that hexagonal compounds Zr5Sn4 and Zr5Sn3 are the most stable phases in the Zr–Sn binary system. Their high stability is found to be due to hybridization of the Sn 5p with Zr 4d electronic states. Based on the calculated energies, the conclusion is made that Zr substitution on the Sn sites takes place in the Zr4Sn phase, which accounts for the unusual stoichiometry of this Cr3Si structure type compound.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Scripta Materialia - Volume 55, Issue 5, September 2006, Pages 485–488
Journal: Scripta Materialia - Volume 55, Issue 5, September 2006, Pages 485–488
نویسندگان
V.I. Baykov, Rosa Jerlerud Perez, P.A. Korzhavyi, Bo Sundman, Börje Johansson,