Abstract
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 Fe86-xYxB7C7(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 po-tentially 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.
基金项目
National Key Research and Development Program of China(2021YFB2401703)
National Natural Science Foundation of China(52177005)
National Natural Science Foundation of China(51871234)
China Postdoctoral Science Foundation(2022T150691)
NETL
NSTL
万方数据