Abstract
Based on the empirical electron theory (EET) of solids and molecules, the valence electron structure (VES) and theoretical bond energy of MoSi2 was calculated by the bond length difference method (BLD). According to the average atomic model in substitutional solid solution of EET, the VES and theoretical bond energy of (Mo0.95, Nb0.05)Si2 were analyzed. The results indicated that the Nb alloying into MoSi2 changed the hybridization state of Mo and Si atom, which correspondingly changed the parameters of VES. The ratio of covalent valence electron number to total number of valence electron in MoSi2 is 65.87%, compared with that of MoSi2, the ratio increase to 80.61% in (Mo0.95, Nb0.05)Si2, thus the addition of niobium can improve the strength of MoSi2. The lattice electron decrease from 4.7141 to 2.5526, which reduced the plasticity of MoSi2 by niobium microalloying.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
