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https://hdl.handle.net/2440/74755
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Type: | Journal article |
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 |
Author: | Xu, J. Wu, J. Lai, D. Xie, Z. Munroe, P. |
Citation: | Materials Science and Technology, 2012; 28(11):1337-1344 |
Publisher: | Inst Materials |
Issue Date: | 2012 |
ISSN: | 0267-0836 1743-2847 |
Statement of Responsibility: | 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 |
DOI: | 10.1179/1743284712Y.0000000069 |
Published version: | http://dx.doi.org/10.1179/1743284712y.0000000069 |
Appears in Collections: | Aurora harvest Materials Research Group publications Mechanical Engineering conference papers |
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