J Mater Sci Technol ›› 1994, Vol. 10 ›› Issue (4): 279-284.

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Mechanism of Macroalloying-induced Ductility in Ni_3Al

Changgong MENG; Jianting GUO and Zhuangqi HU (Institute of Metal Research, Chinese Academy of Sciences, Shenyang, 110015, China)(To whom correspondence should be addressed)   

  • Received:1994-07-28 Revised:1994-07-28 Online:1994-07-28 Published:2009-10-10

Abstract: The bonding characteristics of Ni3Al doped with ternary elements has been investigated by means of the discrete variational Xα (DV-Xα) cluster method. From the computations. the addition of ternary element M (M= Pd. Ag. Cu and Co) substituting for the Ni sttes leads to the increase of delocalized bonding electrons. and the mechanism of ductilization of Ni3Al bV doping with M is explained based on the analysis of bonding characteristics. The increase of delocalized bonding electrons lowers the covalent bond directionality and strengthens grain boundary. The difference of strength between M-Al bond and M-Ni bond is an important factor in the effect of alloy stoichiometry on ductility. The larger the difference. the more the sensitivity to the alloy stoichiometry