Elastic properties of Fe-Mn random alloys studied by ab initio calculations
Elastic properties of Fe-Mn random alloys studied by ab initio calculations
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DOI：
10.1063/1.2807677
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发表时间：
2007-11-05
影响因子：
4
通讯作者：
Schneider, Jochen M.
中科院分区：
文献类型：
--
作者：
Music, Denis;Takahashi, Tetsuya;Schneider, Jochen M.
用从头算方法研究了Mn含量对Fe-Mn无规合金（空间群为Fm（3）over barm）弹性性质的影响。Fe-Mn合金中的磁效应对弹性性能具有强烈的影响，甚至在尼尔温度以上。随着Mn含量从5增加到40 at. %时，C-44弹性常数不受影响，而C-11和C-12降低。这种行为可以基于软化晶格的磁体积效应来理解。由于局部磁矩的幅度对体积守恒畸变不太敏感，因此在剪切过程中不存在软化。
We have studied the influence of the Mn content on the elastic properties of Fe-Mn random alloys (space group of Fm (3) over barm) 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.