TY - JOUR
T1 - First principle study on the Si effect in the Fe-based soft magnetic nano-crystalline alloys
AU - Wang, Yaocen
AU - Zhang, Yan
AU - Makino, Akihiro
AU - Kawazoe, Yoshiyuki
N1 - Funding Information:
This work was funded by JSPS KAKENHI Grant Number 15K18199 , and “Tohoku Innovative Materials Technology Initiatives for Reconstruction (TIMT)” funded by the Ministry of Education, Culture, Sports, Science and Technology (MEXT) and Reconstruction Agency, Japan.
Publisher Copyright:
© 2017 Elsevier B.V.
PY - 2018/1/5
Y1 - 2018/1/5
N2 - 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.
AB - 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.
KW - Nano-crystallization
KW - Soft magnetic materials
KW - ab initio molecular dynamics simulation
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U2 - 10.1016/j.jallcom.2017.09.311
DO - 10.1016/j.jallcom.2017.09.311
M3 - Article
AN - SCOPUS:85030550446
SN - 0925-8388
VL - 730
SP - 196
EP - 200
JO - Journal of Alloys and Compounds
JF - Journal of Alloys and Compounds
ER -