Mechanical properties and phase stability of monoborides using density functional theory calculations
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چکیده
منابع مشابه
Mechanical properties and phase stability of monoborides using density functional theory calculations
We compute the structural energies, elastic constants, and stacking fault energies, and investigate the phase stability of monoborides with different compositions (X1 1−xX 2 x)B (X = Ti/Fe/Mo/Nb/V) using density functional theory in order to search for Ti monoborides with improved mechanical properties. Our computed Young’s modulus and Pugh’s modulus ratio, which correlate with stiffness and to...
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ژورنال
عنوان ژورنال: Physical Review Materials
سال: 2017
ISSN: 2475-9953
DOI: 10.1103/physrevmaterials.1.013601