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[求助] 不锈钢中合金元素U分数计算

本人在相关计算中遇到一个问题,就是不锈钢中各合金元素的U分数计算。我在网上查到一个例子“(Fe,Cr)3C cementite is a stoichiometric compound with an Fe+Cr:C ratio of 3:1. Expressed in mole fractions, this means: 0.75 moles of atoms on the substitutional sublattice, and 0.25 on the interstitial one. Converted to u-fraction gives uCr+uFe=1 on the first sublattice, while the u-fraction of C is 0.33 on the second sublattice.”。按照这个例子计算,所有元素(Fe、Cr、C)的U分数加起来是大于1的,但是在我的计算中,还是要求所有元素的U分数加起来等于一,请问这该怎么处理~~!拜托各位大侠了~~!
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