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Possible Energy States of Stoichiometric AB Alloys Based on fee,bec, and sc Lattices

机译:化学计量AB合金的可能能量状态,基于费,贝奇和sc格

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摘要

A simple computer algorithm is proposed to describe all possible energy states of stoichiometric alloys; its application is illustrated with AB alloys having fcc, bcc, and sc lattices. This algorithm is based on the concentration-wave method, which uses the rigid-sphere approximation and takes into account pair atomic interactions in the first few coordination spheres.
机译:提出了一种简单的计算机算法来描述化学计量合金的所有可能的能量状态。具有fcc,bcc和sc晶格的AB合金说明了其应用。该算法基于浓度波方法,该方法使用刚体球近似方法,并考虑了前几个协调球中的成对原子相互作用。

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