کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
5437662 | 1398176 | 2017 | 7 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Vibrational and dielectric properties and ideal strength of Si2N2O ceramic from first principles
دانلود مقاله + سفارش ترجمه
دانلود مقاله ISI انگلیسی
رایگان برای ایرانیان
کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
مهندسی مواد
سرامیک و کامپوزیت
پیش نمایش صفحه اول مقاله
چکیده انگلیسی
Silicon oxynitride (Si2N2O) is a functional ceramic having many possible applications. In this work, we studied the vibrational and dielectric properties and ideal strength as well as the related deformation mechanism of Si2N2O using first principles calculations. Factor group analysis was performed and vibrational frequencies were calculated to assign the observed vibrational modes. Infrared dielectric and absorption spectra were simulated and their origins were revealed. Tensile, compressive and shear strengths along the representative directions were investigated, which gave Si2N2O an ideal strength agreeing well with its experimental hardness. The calculated minimum compressive stress also coincides well with the starting amorphization pressure observed in shock experiments, providing a theoretical method to study mechanical effects of shock wave. Analyses on the deformation mechanisms at the critical strains imply that Si-O bond is stronger than other bonds, which is opposite to the previous speculation.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Ceramics International - Volume 43, Issue 13, September 2017, Pages 10006-10012
Journal: Ceramics International - Volume 43, Issue 13, September 2017, Pages 10006-10012
نویسندگان
Zhen-Long Lv, Hong-Ling Cui, Hui Wang, Xiao-Hong Li, Guang-Fu Ji,