کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
5452800 1513807 2017 6 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Thermodynamic modelling of Ti-Zr-N system
موضوعات مرتبط
مهندسی و علوم پایه مهندسی مواد دانش مواد (عمومی)
پیش نمایش صفحه اول مقاله
Thermodynamic modelling of Ti-Zr-N system
چکیده انگلیسی
Thermodynamic modelling of Ti-Zr-N system is performed using Calphad method coupled with ab initio calculations. The energies of formation of stable and metastable end-members of sublattice formulations of solid phases in Zr-N system and enthalpy of mixing of the mixed nitride (Ti, Zr)N (δ) are calculated using ab initio method. Phonon calculations are used to compute the Gibbs energies of stoichiometric ZrN and the mixed nitride δ. With the aid of experimental thermochemical and constitutional data from the literature along with the results of ab initio calculations, thermodynamic optimization is carried out to obtain the Gibbs energy model parameters.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Calphad - Volume 56, March 2017, Pages 102-107
نویسندگان
, , ,