کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
10128815 | 1645147 | 2018 | 31 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Phase stability, elastic, anisotropic and thermodynamic properties of GdT2Al20 (Tâ¯=â¯Ti, V, Cr) compounds: A first-principles study
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
مهندسی مواد
سطوح، پوششها و فیلمها
پیش نمایش صفحه اول مقاله
![عکس صفحه اول مقاله: Phase stability, elastic, anisotropic and thermodynamic properties of GdT2Al20 (Tâ¯=â¯Ti, V, Cr) compounds: A first-principles study Phase stability, elastic, anisotropic and thermodynamic properties of GdT2Al20 (Tâ¯=â¯Ti, V, Cr) compounds: A first-principles study](/preview/png/10128815.png)
چکیده انگلیسی
First principles calculations were used to explore the structural stability, mechanical properties, ductile or brittle behavior, anisotropic properties and thermodynamic properties of GdT2Al20 intermetallics. The calculated formation enthalpy and phonon frequencies indicate that GdT2Al20 intermetallics exhibit the structural stability. The elastic constants Cijs and elastic moduli (B, G, E) confirm that GdT2Al20 intermetallics possess the better elastic properties than pure Al. The values of Poisson's ratio v and B/G demonstrate that GdT2Al20 intermetallics are all brittle materials. The anisotropic constants, anisotropic figures (three and two dimensional figures) of Young's modulus and anisotropic acoustic velocities indicate that GdT2Al20 intermetallics are anisotropic, but the degree of anisotropy is small. Electronic properties confirm that the better elastic properties of GdT2Al20 intermetallics are attributed to the bond strength of GdAl bond, Gd-T bond and T-Al metallic bonds. The calculated thermodynamic quantities demonstrate that GdT2Al20 intermetallics exhibit the better thermal physical properties than pure Al at high temperature.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Vacuum - Volume 157, November 2018, Pages 312-319
Journal: Vacuum - Volume 157, November 2018, Pages 312-319
نویسندگان
Xudong Zhang, Wenyi Huang, Jiaying Chen, Cong Liu, Hui Yu, Lijun Zhao, Wei Jiang,