کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1560765 | 1513921 | 2014 | 6 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Structural and elastic properties of TiCxN1âx, TiCxO1âx, TiOxN1âx solid solutions from first-principles calculations
دانلود مقاله + سفارش ترجمه
دانلود مقاله ISI انگلیسی
رایگان برای ایرانیان
کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
سایر رشته های مهندسی
مکانیک محاسباتی
پیش نمایش صفحه اول مقاله
چکیده انگلیسی
The structural, electronic and elastic properties of TiCxN1âx, TiCxO1âx and TiOxN1âx alloys have been investigated by using the plane-wave pseudopotential method within the density function theory. The present lattice parameters and bulk modulus of TiCxN1âx alloys generally follow the Vegard's law. The elastic properties of TiCxN1âx alloys presented as a function of concentration reveal the anisotropy and ductility. The prediction of elastic properties for TiOxN1âx alloys has been presented due to the consistency between the calculated results and the experimental results for TiCxN1âx and TiCxO1âx alloys. The partial density of states (PDOS) and total density of states (DOS) for the binary and ternary compounds have been obtained, and the metallic behavior of these alloys has been confirmed by the analysis of DOS.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Computational Materials Science - Volume 88, 1 June 2014, Pages 86-91
Journal: Computational Materials Science - Volume 88, 1 June 2014, Pages 86-91
نویسندگان
Jiusan Xiao, Bo Jiang, Kai Huang, Hongmin Zhu,