蒙特卡洛模拟Fe-Cr合金的磁团簇展开  

Magnetic Cluster Expansion of Fe-Cr Alloy by Monte Carlo Simulation

作　　者：朱晔辉 任山令[1] 李少华 李新凤 ZHU Yehui;REN Shanlin;LI Shaohua;LI Xinfeng(Nanjing University of Posts and Telecommunications,NanJing 210003,China)

机构地区：[1]南京邮电大学电子科学与工程学院,江苏南京210003

出　　处：《材料科学与工程学报》2018年第5期841-844,共4页Journal of Materials Science and Engineering

摘　　要：通过磁团簇展开模型的蒙特卡洛模拟,研究了Fe-Cr合金的磁学性能特别是居里转变温度与Cr含量的关系。在Cr含量较低时(0～10%),居里温度随着Cr含量的增加经历了非单调的变化,在Cr含量为6%时居里温度达到最高值;相应地,热力学函数混合焓的计算表明,Cr含量为6%时居里温度有最小值,这表明了结构的稳定性与居里温度的关联。同时,比较了无序和有序结构的Fe-Cr合金,结果表明,无序结构将导致居里温度的降低。In this paper, we study the magnetic properties of Fe-Cr alloy by the Monte Carlo simulation of the magnetic cluster expansion model, especially the relationship between the Curie transition temperature and Cr content. We find that at low （0～10 at. %） Cr content the Curie temperature increases with the increase of Cr concentration. The Curie temperature is the maximum at approximately 6 at. % Cr and then decreases for higher Cr content. Besides, enthalpy of the FeCr system reaches a minimum negative value at Cr content of 6 at. %. We also compared the ordered and disordered structure of the Fe-Cr alloy, and find that the disordered structure reduces the Curie temperature.

关 键 词：磁团簇 合金 蒙特卡洛 居里温度 

分 类 号：TG113.225[金属学及工艺—物理冶金]