A high saturation magnetic flux density(Bs)is essential for the development of Fe-based amorphous alloys for electromagnetic devices and motors.However,achieving a high Bs often compromises the glass-forming ability(G...A high saturation magnetic flux density(Bs)is essential for the development of Fe-based amorphous alloys for electromagnetic devices and motors.However,achieving a high Bs often compromises the glass-forming ability(GFA)of Fe-based amorphous alloys.This study investigates the effects of ferromagnetic elements(Fe,Co,and Ni)on the microstructure and magnetic properties of Fe86B7C7 amorphous alloys through experiments and ab initio molecular dynamics simulations.By analyzing both the experimental and simulation results,the relationship between the atomic structures,GFA,and magnetic properties of these amorphous alloys was determined.The results indicate that the GFA of the alloys is correlated with the proportion of icosahedral and body-centered cubic clusters.The addition of Co and Ni not only improved the GFA of the alloys but also effectively increased the overall magnetic moment with an appropriate amount of Co and a small amount of Ni.This increase in the magnetic moment primarily arises from the enhancement of the magnetic moment of Fe atoms,resulting from the redistribution between the spin-up and spin-down electrons of Fe-3d orbits,as well as the strong exchange interactions between Fe and Co and Fe–Ni pairs.The results obtained offer valuable insights into the correlation between the atomic structure and magnetic properties of these amorphous alloys and suggest potential directions for the optimization of Fe-based amorphous alloys.展开更多
The atomic structure of amorphous alloys plays a crucial role in determining both their glass-forming ability and magnetic properties. In this study, we investigate the influence of adding the Y element on the glass-f...The atomic structure of amorphous alloys plays a crucial role in determining both their glass-forming ability and magnetic properties. In this study, we investigate the influence of adding the Y element on the glass-forming ability and magnetic properties of Fe_(86-x)Y_xB_7C_7(x = 0, 5, 10 at.%) amorphous alloys via both experiments and ab initio molecular dynamics simulations. Furthermore, we explore the correlation between local atomic structures and properties. Our results demonstrate that an increased Y content in the alloys leads to a higher proportion of icosahedral clusters, which can potentially enhance both glass-forming ability and thermal stability. These findings have been experimentally validated. The analysis of the electron energy density and magnetic moment of the alloy reveals that the addition of Y leads to hybridization between Y-4d and Fe-3d orbitals, resulting in a reduction in ferromagnetic coupling between Fe atoms. This subsequently reduces the magnetic moment of Fe atoms as well as the total magnetic moment of the system, which is consistent with experimental results. The results could help understand the relationship between atomic structure and magnetic property,and providing valuable insights for enhancing the performance of metallic glasses in industrial applications.展开更多
基金supported by the National Natural Science Foundation of China under Grant No.10225417the National Basic Research Program of China under Grant No.2006CB601003。
文摘A high saturation magnetic flux density(Bs)is essential for the development of Fe-based amorphous alloys for electromagnetic devices and motors.However,achieving a high Bs often compromises the glass-forming ability(GFA)of Fe-based amorphous alloys.This study investigates the effects of ferromagnetic elements(Fe,Co,and Ni)on the microstructure and magnetic properties of Fe86B7C7 amorphous alloys through experiments and ab initio molecular dynamics simulations.By analyzing both the experimental and simulation results,the relationship between the atomic structures,GFA,and magnetic properties of these amorphous alloys was determined.The results indicate that the GFA of the alloys is correlated with the proportion of icosahedral and body-centered cubic clusters.The addition of Co and Ni not only improved the GFA of the alloys but also effectively increased the overall magnetic moment with an appropriate amount of Co and a small amount of Ni.This increase in the magnetic moment primarily arises from the enhancement of the magnetic moment of Fe atoms,resulting from the redistribution between the spin-up and spin-down electrons of Fe-3d orbits,as well as the strong exchange interactions between Fe and Co and Fe–Ni pairs.The results obtained offer valuable insights into the correlation between the atomic structure and magnetic properties of these amorphous alloys and suggest potential directions for the optimization of Fe-based amorphous alloys.
基金Project supported by the National Key Research and Development Program of China(Grant No.2021YFB2401703)the National Natural Science Foundation of China(Grant Nos.52177005 and 51871234)the China Postdoctoral Science Foundation(Grant No.2022T150691)。
文摘The atomic structure of amorphous alloys plays a crucial role in determining both their glass-forming ability and magnetic properties. In this study, we investigate the influence of adding the Y element on the glass-forming ability and magnetic properties of Fe_(86-x)Y_xB_7C_7(x = 0, 5, 10 at.%) amorphous alloys via both experiments and ab initio molecular dynamics simulations. Furthermore, we explore the correlation between local atomic structures and properties. Our results demonstrate that an increased Y content in the alloys leads to a higher proportion of icosahedral clusters, which can potentially enhance both glass-forming ability and thermal stability. These findings have been experimentally validated. The analysis of the electron energy density and magnetic moment of the alloy reveals that the addition of Y leads to hybridization between Y-4d and Fe-3d orbitals, resulting in a reduction in ferromagnetic coupling between Fe atoms. This subsequently reduces the magnetic moment of Fe atoms as well as the total magnetic moment of the system, which is consistent with experimental results. The results could help understand the relationship between atomic structure and magnetic property,and providing valuable insights for enhancing the performance of metallic glasses in industrial applications.
