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|Title:||Investigation on effect of alloying elements on mechanical properties of MoSi₂ by first principle calculation|
|Other Titles:||Investigation on effect of alloying elements on mechanical properties of MoSi(2) by first principle calculation|
|Citation:||Materials Science and Technology, 2012; 28(11):1337-1344|
|J. Xu, J. D. Wu, D. H. Lai, Z. H. Xie and P. Munroe|
|Abstract:||The influence of substitutional alloying elements (Al, Nb and W) on the mechanical properties of MoSi₂ with both C11b and C40 structures was explored by first principles calculations. Using the shear modulus/bulk modulus ratio (G/B), Poisson’s ratio and Peierls stress, the change in the mechanical properties of the C40 and C11b structured MoSi₂ due to the addition of the solute atom has been investigated. The results showed that the ductility of C11b MoSi₂ was increased by alloying with the elements (Al and Nb) that form a C40 structured disilicide but decreased by alloying with the elements (W) that form a C11b structured disilicide. In contrast, the effect of alloying elements on the ductility of C40 MoSi₂ showed a reverse trend to that of C11b MoSi₂.|
|Keywords:||Transition metal silicides; first principle calculation; mechanical properties; ductility|
|Rights:||© 2012 Institute of Materials, Minerals and Mining|
|Appears in Collections:||Mechanical Engineering conference papers|
Materials Research Group publications
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