کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1594599 | 1515667 | 2009 | 4 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
First-principles calculations on elasticity of OsN2 under pressure
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موضوعات مرتبط
مهندسی و علوم پایه
مهندسی مواد
دانش مواد (عمومی)
پیش نمایش صفحه اول مقاله
![عکس صفحه اول مقاله: First-principles calculations on elasticity of OsN2 under pressure First-principles calculations on elasticity of OsN2 under pressure](/preview/png/1594599.png)
چکیده انگلیسی
First-principles calculations of the crystal structure and the elastic properties of OsN2 have been carried out with the plane-wave pseudopotential density functional theory method. The calculated values are in very good agreement with experimental data as well as with some of the existing model calculations. The dependence of the elastic constants cijcij, the aggregate elastic moduli (B,G,E)(B,G,E), Poisson’s ratio, and the elastic anisotropy on pressure has been investigated. Moreover, the variation of the Debye temperature and the compressional and shear elastic wave velocities with pressure PP up to 60 GPa at 0 K have been investigated for the first time.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Solid State Communications - Volume 149, Issues 47–48, December 2009, Pages 2135–2138
Journal: Solid State Communications - Volume 149, Issues 47–48, December 2009, Pages 2135–2138
نویسندگان
Feng Peng, Dong Chen, Xiangdong Yang,