کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1558870 1513814 2015 6 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Computational modeling of elastic constants as a function of temperature and composition in Zr–Nb alloys
موضوعات مرتبط
مهندسی و علوم پایه مهندسی مواد دانش مواد (عمومی)
پیش نمایش صفحه اول مقاله
Computational modeling of elastic constants as a function of temperature and composition in Zr–Nb alloys
چکیده انگلیسی


• Elastic properties of Zr–Nb system have been described by CALPHAD-type model.
• The calculations are consistent with the experimental and first-principles data.
• Dynamical stabilization temperature and composition of bcc Zr were predicted.

We used CALPHAD-type model to describe single crystal elastic constants of bcc solution phases in Zr–Nb system. The model parameters were evaluated by utilizing least square algorithm based on available experimental and first-principles data. The composition-polycrystalline elastic properties profiles of the Zr–Nb alloys of full composition were predicted and are in agreement with experimental data. The critical temperature corresponding to the dynamical stabilization of bcc pure Zr can be estimated to 600 K and the critical composition corresponding to the dynamical stabilization of bcc Zr–Nb alloys at room temperature is about 4 at% Nb. The current calculations present an effective strategy to design biomedical alloys using a computational method.

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Calphad - Volume 48, March 2015, Pages 89–94
نویسندگان
, , , , , ,