First principle study on the Si effect in the Fe-based soft magnetic nano-crystalline alloys
First principle study on the Si effect in the Fe-based soft magnetic nano-crystalline alloys
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DOI：
10.1016/j.jallcom.2017.09.311
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发表时间：
2018-01
影响因子：
6.2
通讯作者：
Yaocen Wang;Yan Zhang;A. Makino;Y. Kawazoe
中科院分区：
文献类型：
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作者：
Yaocen Wang;Yan Zhang;A. Makino;Y. Kawazoe
采用第一性原理分子动力学模拟方法研究了Si夹杂对Fe基非晶/纳米晶合金制备和性能的影响。发现Si对非晶结构的形成具有复杂的影响，因为它在结构上优选与Fe一起结晶，但在达到高浓度时对稳定非晶有利。还发现，Si的夹杂物导致的结晶温度的增加，并引起更好的可控性的纳米结晶过程中，更好的磁性软。在磁性方面，Si总是可以降低Fe基合金的饱和磁化强度，但也可以间接地帮助降低Fe基纳米晶合金的整体磁性。
The contributing effects of Si inclusion on the fabrication and performance of the Fe-based amorphous/nano-crystalline alloys were extensively studied with the first principle molecular dynamics simulation method. Si is found to have complicated impact on the formation of amorphous structure as it is structurally preferred to crystallize with Fe but energetically beneficial to stabilize the amorphous when reaching high concentration. The inclusion of Si is also found to cause the increase of the crystallization temperature and give rise to better controllability of the nano-crystallization process for better magnetic softness. Magnetically, Si can always reduce the saturation magnetization in the Fe-based alloy but also can indirectly help decreasing the overall coercivity of the Fe-based nano-crystalline alloy.