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Elastic properties of Fe-Mn random alloys studied by ab initio calculations

机译:从头算计算铁锰锰无规合金的弹性

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We have studied the influence of the Mn content on the elastic properties of Fe-Mn random alloys (space group of Fm3m) using ab initio calculations. The magnetic effects in Fe-Mn alloys have a strong influence on the elastic properties, even above the Neel temperature. As the Mn content is increased from 5 to 40 at. %, the C_(44) elastic constant is unaffected, while C_(11) and C_(12) decrease. This behavior can be understood based on the magnetovolume effect which softens the lattice. Since the amplitude of local magnetic moments is less sensitive to volume conserving distortions, the softening is not present during shearing.
机译:我们使用从头算算方法研究了锰含量对Fe-Mn无规合金(Fm3m的空间群)的弹性性能的影响。即使在Neel温度以上,Fe-Mn合金中的磁效应也会对弹性产生很大影响。随着Mn含量从5增加到40at。 %,C_(44)弹性常数不受影响,而C_(11)和C_(12)减小。基于软化晶格的磁柱效应可以理解这种行为。由于局部磁矩的幅度对体积守恒的变形不太敏感,因此在剪切过程中不会出现软化现象。

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