首页|Cu元素添加对CoCrNiFe高熵合金结构及磁学性质影响研究

Cu元素添加对CoCrNiFe高熵合金结构及磁学性质影响研究

扫码查看
采用蒙特卡罗方法结合第一性原理计算,研究了 Cu元素添加对CoCrNiFe高熵合金结构稳定性以及磁学性质的影响.计算结果显示,由于Cu元素与合金中其它组成元素二元混合焓为正值,所以CoCrNiFeCu高熵合金形成短程有序结构.采用短程有序结构计算CoCrNiFeCu高熵合金的饱和磁化强度为52.2 emu/g,这一结果比采用特殊准随机结构计算得到的结果(64.9 emu/g)更符合实验值(53.4 emu/g).
Effect of Cu Addition on Structure and Magnetic Properties of CoCrNiFe High Entropy Alloys
The influence of Cu addition on the structural stability and magnetic properties of CoCrNiFe High Entropy alloys were studied by using Monte Carlo method combined with first-principle calculation.The calculation results show that due to the positive binary mixing enthalpy between Cu element and other constituent elements in the alloy,CoCrNiFeCu high entropy alloy forms a short-range ordered structure.The saturation magnetization of CoCrNiFeCu high entropy alloy calculated using a short range ordered structure is 52.2 emu/g,which is more in line with the experimental value(53.4 emu/g)than the result calculated using SQS structure(64.9 emu/g).

first-principle calculationshort range ordered structuresmagnetic properties

蔡永传、崔钧涵、张芮祺、郑均豪、王诗博、冯文强

展开 >

辽宁科技大学理学院,辽宁鞍山

第一性原理计算 短程有序结构 磁学性质

2023年大学生创新训练计划项目

X202310146076

2024

科学技术创新
黑龙江省科普事业中心

科学技术创新

影响因子:0.842
ISSN:1673-1328
年,卷(期):2024.(5)
  • 5