کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
5457512 1515823 2017 10 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Thermodynamic investigation of the Zr-Fe-Nb system and its applications
موضوعات مرتبط
مهندسی و علوم پایه مهندسی مواد فلزات و آلیاژها
پیش نمایش صفحه اول مقاله
Thermodynamic investigation of the Zr-Fe-Nb system and its applications
چکیده انگلیسی
The total energies and enthalpies of intermetallic compounds, such as the Laves phases, Fe23Zr6 and τ1, in the Zr-Fe-Nb system have been studied by using the first-principles pseudo-potential VASP code with a full relaxation of all structural parameters. Based on the calculation results and recent experimental information, a new thermodynamic description of the Fe-Zr binary system has been established using the CALPHAD approach. The controversial intermetallic phase Fe23Zr6 in the Fe-Zr system was treated as a stable phase and the high-temperature Laves C36 phase was excluded from equilibrium. However, the first-principles calculations show that the Fe23Zr6 phase is not stable at 0 K implying a transition from metastable to stable Fe23Zr6 at certain temperature, i.e. 225 K predicted by the present work. The thermodynamic description of Fe-Nb system has been revised to better fit the experimental data for the Laves C14 phase boundary. The thermodynamic description of the Zr-Fe-Nb system has been developed based on the first-principles calculations and available experimental data. With the present modeling, the phase transition temperatures, phase relations and properties of intermetallic precipitates can be predicted in order to plan heat treatments and rolling process for zirconium alloys. The phase contents of Zr-2.6Nb-0.03Fe and Zr-1.0Nb-1.8Fe (wt.%) versus temperature are presented as a practical example for application.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Intermetallics - Volume 88, September 2017, Pages 91-100
نویسندگان
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