کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1605295 1516209 2016 4 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
ω structure in steel: A first-principles study
ترجمه فارسی عنوان
ساختار ω در فولاد: یک مطالعه اصول اولیه
کلمات کلیدی
محاسبات اصول اول ؛ ساختار ω؛ فولاد
موضوعات مرتبط
مهندسی و علوم پایه مهندسی مواد فلزات و آلیاژها
چکیده انگلیسی


• Stability of the ω structure in steel and effects of interstitial C atoms are investigated based on first-principles.
• The interstitial C atoms increase the energy of the ω structure compared with the ferromagnetic (FM) BCC.
• The ω structure incorporating C atoms is also mechanically unstable unless the C concentration is 25 at.%.
• The ω structure in steel may be formed under special atomic constraints at twin boundaries or other interfaces.

Recent experimental works reported observation of the ω structure in steel. Here, stability of the ω structure in steel is investigated based on first-principles with special interests in effects of interstitial C atoms. The interstitial C atoms increase the energy of the ω structure compared with the ferromagnetic (FM) BCC. The ω structure incorporating C atoms is also dynamically unstable unless the C concentration is 25 at.%. It is concluded that the ω structure is mostly unstable in steel, and the ω structure in steel may be formed under special atomic constraints at twin boundaries or other interfaces.

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ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Alloys and Compounds - Volume 684, 5 November 2016, Pages 624–627
نویسندگان
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