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中文摘要：
为改善铱的脆性,向其中添加铌元素。根据铱铌二元合金相图,当铱铌合金中铌的原子分数在0-15%时,铱铌合金以置换式固溶体形式存在,当铌的原子分数在15%-25%时,合金进入两相区,为Ir和Ir3Nb两相合金。在此两个区间分别选择配比建立模型,计算其热力学稳定性、力学性能、电子结构和态密度等。结果表明,所设计的合金能够稳定存在,力学性能的计算显示铱的塑性有显著改善,电子云极化减弱,键能有所降低,说明铌的加入是有利于铱塑性的改善的。在Nb原子分数0-25%范围内Ir-16.67%Nb合金塑性最好。
英文摘要：
In order to improve the brittleness of iridium, niobium was added. According to binary alloy phase diagram of iridium-niobium, Ir and Nb form substitutional solid solution at the content of 0--15at% and form Ir and Ir3Nb two-phase region at the content of 15at% -25at%. The thermodynamic stability, mechanical properties, elec tronie structure and density of states of the model established between the two phase were calculated. The results show that the alloy designed in two aspects of the thermodynamic and mechanical properties can stably exist. The ductility is significantly improved. The polarization of the electron cloud and bond energy is reduced. It is indicated that the addition of niobium is conducive to the plastic of the iridium. It has an excellent plasticity for the content of Ir- 16.67at%Nb alloy within the range of 0--25at%. The toughening mechanisms of iridium with the adding of niobium are alloying and second phase toughening.
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