کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
7955946 | 1513815 | 2014 | 15 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
First-principles calculations of finite-temperature thermodynamic properties of binary solid solutions in the Al-Cu-Mg system
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
مهندسی مواد
دانش مواد (عمومی)
پیش نمایش صفحه اول مقاله
چکیده انگلیسی
Based on first-principles calculations in terms of the 16-atom special quasirandom structures (SQSs), enthalpy of mixing at 0Â K as well as thermodynamic properties, including Gibbs energy of mixing, enthalpy of mixing, and entropy of mixing (ÎG, ÎH, ÎS), have been investigated for the binary solid solutions in the Al-Cu-Mg system. The targeted binary solid solutions include fcc, bcc, hcp phases in the Al-Cu, Al-Mg, and Cu-Mg systems. For the Al-Cu system, the present first-principles predictions are in good agreement with the experimental data and the CALculation of PHAse Diagram (CALPHAD) modeling results. For the Al-Mg and Cu-Mg systems, where the reliable experimental information is not available, it is expected that the presently predicted thermodynamic properties could yield a helpful insight into the phase stabilities in these two systems, in particular for the metastable phases.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Calphad - Volume 47, December 2014, Pages 196-210
Journal: Calphad - Volume 47, December 2014, Pages 196-210
نویسندگان
Qiannan Gao, Jiong Wang, Shunli Shang, Shuhong Liu, Yong Du, Zi-Kui Liu,