کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
7913579 1510923 2014 4 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Thermodynamic stability and electronic structure of η-Ni6Nb(Al,Ti) from first principles
موضوعات مرتبط
مهندسی و علوم پایه مهندسی مواد سرامیک و کامپوزیت
پیش نمایش صفحه اول مقاله
Thermodynamic stability and electronic structure of η-Ni6Nb(Al,Ti) from first principles
چکیده انگلیسی
First principles calculations in combination with special quasirandom structures are used to investigate the thermodynamic stability and electronic structure of a partially ordered hexagonal phase with chemistry Ni6Nb(Al,Ti) observed in Allvac 718Plus. The results agree with the experimental observations by confirming the structural stability of the alloy over a wide range of compositions. At finite temperature, vibrational and configurational contributions to the free energy stabilize a competing orthorhombic phase, which is shown to become energetically favourable for high Ti concentrations.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Scripta Materialia - Volume 77, 15 April 2014, Pages 37-40
نویسندگان
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