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.
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