First-principles calculations of magnetic and mechanical properties of Fe-based nanocrystalline alloy Fe80Si10Nb6B2Cu2

Chong Sun,Linhao Zhang,Chaofei Wu,Zhengang Shi,Han Li,Wenjie Fu

doi:10.2478/amns.2021.2.00109

Chong Sun, Linhao Zhang + Show 4 more

Open Access

https://doi.org/10.2478/amns.2021.2.00109

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Abstract

Abstract Based on the first-principles calculation method of density functional theory (DFT), the crystal structure, band structure, magnetic moment, density of state, elastic constant and population analysis of Fe80Si10Nb6B2Cu2 are calculated. The calculation results show that the Fe-based nanocrystalline alloy of this composition has a stable structure, strong resistance to deformation, high hardness and is an alloy with good flexibility. The energy band structure of spin-up and spin-down is basically the same, and the energy gap is 0 eV, showing metallicity. The asymmetry of the electronic state density between the spin-up and spin-down states indicates that the alloy is ferromagnetic, with a magnetic moment of 84.15 μ; the Fe element plays a decisive role in the magnetic properties of this alloy.

Highlights

Electrical equipment such as current transformers, voltage transformers and transformers in power systems require core materials with magnetic properties that meet the corresponding requirements
For current transformers, the accuracy is relatively high only when the measured current is near the rated current
When the measured current is much smaller or much larger than the rated current, it is limited by the initial permeability and saturation magnetic induction of the core material, and the measurement accuracy becomes greatly reduced

Summary

Introduction

Electrical equipment such as current transformers, voltage transformers and transformers in power systems require core materials with magnetic properties that meet the corresponding requirements. Suzuki et al [9] experimentally prepared Fe-N-B (N=Zr, Nb, Hf, etc.) nanocrystalline alloys with high saturation magnetic flux density and low coercivity, the main component of which is Fe90Zr7B3. The 1K107 Fe-based nanocrystalline alloy is an alloy formed by doping the Fe element as the main element and doping an amount of Si, Nb, B and Cu elements. It is a soft magnetic material, having many advantages such as low loss, low coercivity and high saturation magnetic induction, and is widely used in current transformer cores and other power equipment [10, 11]. The research results of this paper can be used as the basis for the selection of iron core materials of electrical equipment such as current transformers

Structural model

Density of states and band structure

Magnetic performance analysis

Elastic constant

Conclusions