کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1612153 1516305 2014 7 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Phase stability, elastic and electronic properties of Cu-Zr binary system intermetallic compounds: A first-principles study
موضوعات مرتبط
مهندسی و علوم پایه مهندسی مواد فلزات و آلیاژها
پیش نمایش صفحه اول مقاله
Phase stability, elastic and electronic properties of Cu-Zr binary system intermetallic compounds: A first-principles study
چکیده انگلیسی
First-principle calculations have been performed to investigate the structural, mechanical, thermodynamic and electronic properties of eight binary Cu-Zr intermetallic compounds. The results indicated that with increasing Zr concentration, the mass density decreases monotonously. All Cu-Zr intermetallic compounds considered here are mechanically stable structures, and they are ductile materials. Among the eight binary Cu-Zr intermetallic compounds, CuZr is the most ductile phase. Furthermore, the heats of formation of the Cu-Zr intermetallic compounds are negative. Furthermore, CuZr2 is a semiconductor with indirect band gap of 0.227 eV, while the other seven Cu-Zr intermetallic compounds considered here are conductors.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Alloys and Compounds - Volume 588, 5 March 2014, Pages 96-102
نویسندگان
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