کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
9951867 1429317 2018 8 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
The mechanical properties of high entropy (-like) alloy Wx(TaTiVCr)1-x via first-principles calculations
موضوعات مرتبط
مهندسی و علوم پایه مهندسی انرژی مهندسی انرژی و فناوری های برق
پیش نمایش صفحه اول مقاله
The mechanical properties of high entropy (-like) alloy Wx(TaTiVCr)1-x via first-principles calculations
چکیده انگلیسی
Mechanical and electronic properties of high entropy (-like) alloys Wx(TaTiVCr)1-x (x = 0.30-0.67) with body centered cubic structure are investigated employing density function theory in combination with special quasi-random structure (SQS) model. With simultaneous addition of multi-principle alloying elements with smaller average of atomic radii, the lattice constants drop slightly, and structural stability is lowered due to the higher formation enthalpies. The calculated elastic stiffness constants and elastic moduli derived within the Voigt-Reuss-Hill approximation suggest the noticeable decrease of hardness and strength of the Wx(TaTiVCr)1-x (x = 0.30-0.67) alloys. Interestingly, ductility of Wx(TaTiVCr)1-x (x = 0.30-0.67) alloys is apparently increased, whereas elastic anisotropy is somewhat larger from several criterions. The further studied electronic structures show that bonding of Wx(TaTiVCr)1-x (x = 0.30-0.67) dominantly originates from the contributions of d electrons of constituent elements, WW bonding is stronger than WM (M = Ta, Ti, V, Cr) and MM interactions (M = Ta, Ti, V, Cr). With simultaneous addition of multi-principle alloying elements, values of DOSs at Fermi level are higher and the interplay between atoms is decreased, showing the lower stability. These results provide a guideline for further optimizing the composition and mechanical properties of tungsten alloy.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Fusion Engineering and Design - Volume 137, December 2018, Pages 35-42
نویسندگان
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