کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1866650 1038030 2016 5 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
First-principles investigation of high pressure Pbca phase of carbon mononitride
ترجمه فارسی عنوان
بررسی اولویت فاز پبکا با فشار منگنز نیتروژن کربن
کلمات کلیدی
مننیتید کربن، خواص انعطاف پذیر، ساختار الکترونیکی، محاسبات اولیه اول
موضوعات مرتبط
مهندسی و علوم پایه فیزیک و نجوم فیزیک و نجوم (عمومی)
چکیده انگلیسی


• Pbca-CN is stable up to at least 100 GPa.
• Pbca-CN exhibits a large elastic anisotropy.
• Pbca-CN is an ultra-incompressible material.
• The ideal strength calculations show that Pbca-CN is not an intrinsic superhard material.

A theoretical investigations on the stability, mechanical and electronic properties of Pbca-CN was performed by using first principle calculations. According to our calculations, Pbca-CN exhibits a large elastic anisotropy. The further mechanical calculations demonstrated that Pbca-CN shows high elastic moduli. Young's modulus of Pbca-CN is found to reach a maximum along [001] direction and a minimum along [100] direction. The ideal tensile and shear strength at large strains of Pbca-CN are also examined. The ideal shear strength along the weakest (100)[010] slip system is about 20 GPa, which shows Pbca-CN is not an intrinsic superhard material.

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Physics Letters A - Volume 380, Issue 39, 16 September 2016, Pages 3217–3221
نویسندگان
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