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Cluster/site approximation calculation of the ordering phase diagram for Cd-Mg alloys

机译:Cd-Mg合金有序相图的簇/位点近似计算

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摘要

We have used the modified cluster/site approximation in a phenomenological calculation of the phase diagram and single phase thermodynamic properties for cadmium-magnesium alloys in the order/disorder region. Values for the three cluster energies differ lillie from those obtained by LMTO-ASA calculations on unrelaxed alloys of ideal c/a ratio. Only two other parameters contained in contributions to the Gibbs energy are required. One comes from a configuration independent term and the other is an entropy factor coming from the cluster/site approximation.
机译:我们在相态和相序/无序区中的镉镁合金的相图和单相热力学性质的现象学计算中使用了改进的簇/位点近似。三个簇能量的值与通过LMTO-ASA计算得出的理想c / a比的非松弛合金的值不同。吉布斯能量贡献中仅包含两个其他参数。一个来自与配置无关的术语,另一个是来自集群/站点近似的熵因子。

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