کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
5460381 | 1516194 | 2017 | 20 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
First-principles study of mechanical and thermodynamic properties of Ti-Ga 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 study of mechanical and thermodynamic properties of Ti-Ga intermetallic compounds First-principles study of mechanical and thermodynamic properties of Ti-Ga intermetallic compounds](/preview/png/5460381.png)
چکیده انگلیسی
A systematically investigation of Ti-Ga intermetallic compounds was performed to explore their mechanical and thermodynamic properties using density functional theory (DFT). Based on the experimental and theoretical reported data, a series of Ti-Ga alloys are chosen to study in this work. By assessing the elastic property of Ti-Ga alloys including bulk modulus, shear modulus, Young's modulus and Poisson's ratio, the results indicate that these Ti-Ga alloys are mechanically stable. The Pugh's ratio B/G is calculated to reveal that these Ti-Ga alloys display ductile character, except for Ga3Ti and Ga3Ti2. Meanwhile, the anisotropy factor A and Vickers hardness HV are studied, and the hardness is found in the order: Ga3Ti>Ga3Ti2>Ga3Ti5>GaTi2>GaTi>GaTi3. Furthermore, the thermodynamic property is predicted by means of different empirical formulae, the results reveal that the alloys exhibit more high melting point and thermal conductivity. By the evaluation of the heat capacity with temperature 0-80Â K, indicating that the electron excitations plays a main role below 17Â K, while the phonon excitations mainly contribute to the heat capacity in the range of 31-80Â K.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Alloys and Compounds - Volume 700, 5 April 2017, Pages 208-214
Journal: Journal of Alloys and Compounds - Volume 700, 5 April 2017, Pages 208-214
نویسندگان
Hengtao Li, Yuanzheng Chen, Hongyan Wang, Hui Wang, Yucai Li, Ismail Harran, Yong Li, Chunsheng Guo,