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金属学报  2012 

Mg-La和Mg-Nd二元合金相稳定性的第一原理研究

DOI: 10.3724/SP.J.1037.2012.00089, PP. 889-894

Keywords: 第一原理,镁合金,稀土元素

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Abstract:

La和Nd是镁合金中常用的稀土添加元素,为了帮助理解它们在Mg合金中的强化机制,应用第一原理计算方法,研究了Mg-La和Mg-Nd二元合金的相稳定性.计算结果表明,Mg-La和Mg-Nd合金在Mg12RE和Mg3RE之间的平衡相分别为Mg17La2和Mg41Nd5;La和Nd在Mg中的溶解度大小差别较大,表明二者在镁合金中产生强化的机理不同;Mg3Nd具有比Mg12La更大的弹性模量,因而具有更好的强化效果.

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