Effect of solute atoms on the chemical bonding of Fe<sub>3</sub>C (cementite)

Mizuno, Masataka; Tanaka, Isao; Adachi, Hirohiko

doi:10.1080/13642819708202312

Cited by 24 publications

(6 citation statements)

References 23 publications

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“…However, the only attempt has been made to explain the effect of 3d impurities (Ti, V, Cr, Mn, Co, and Ni) on the chemical bonding of cementite by the cluster discretevariational approach [12]. Based on the orbital overlap populations, the authors [20] pointed out the qualitative correlations between the M-M bond strength and the experimental hardness behavior of the cementite. However these calculations were performed for the paramagnetic states and any issues about magnetic properties of alloyed Fe 3 C were not considered.…”

Section: Introductionmentioning

confidence: 98%

Electronic structure and magnetic properties of Fe₃C with 3d and 4d impurities

Shein

Medvedeva

Ivanovskiĭ

2007

Physica Status Solidi (b)

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We study the electronic structure, formation energies, and magnetic properties of cementite Fe 3 C doped by 3d and 4d transition metals (TM) by means of first-principles calculations. All TM elements demonstrate a preference for the substitution of the general iron position in Fe 3 C. We predict that early elements (Sc, Ti, V, Cr, Zr, and Nb) stabilize the cementite, while the end elements (Ni, Cu, Pd, and Ag) in the TM series sharply destabilize it. The magnetic properties of impurity atoms are found to depend strongly on their atomic numbers and the trends to ferromagnetic or antiferromagnetic coupling of impurities with Fe atoms in Fe 3 C coincide with the magnetic behavior of these impurities in Fe. The physical reason is a similar location of the Fermi level in the pseudogap of spin-down and almost filled spin-up Fed states in both Fe 3 C and Fe.

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Section: Introductionmentioning

confidence: 98%

Electronic structure and magnetic properties of Fe₃C with 3d and 4d impurities

Shein

Medvedeva

Ivanovskiĭ

2007

Physica Status Solidi (b)

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“…Qualitative correlations between the bond strength and experimental hardness of F 3 C were established in Ref. 8, where the effect of 3d impurities (Ti, V, Cr, Mn, Co, and Ni) on the chemical bonding was studied within the cluster spin‐restricted approach. Ab initio calculations gave information on the electronic structure and stability of undoped Fe 3 C 9–12 and Fe 3 C alloyed with 3d and 4d transition metals 13–16.…”

Section: Introductionmentioning

confidence: 99%

Electronic structure and magnetic properties of Fe₃C with 2p and 3p impurities

Gutina

Medvedeva

Shein

et al. 2009

Physica Status Solidi (b)

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Ab initio calculations were performed to determine the effect of 2p and 3p impurities on the structural, electronic, and magnetic properties of cementite. We predict that phosphorus, sulfur, and all 2p impurities replace carbon, while aluminum and silicon substitute for iron. The magnetization and magnetic moments on iron atoms in the special and general positions only slightly change for impurities in the carbon sites, but they essentially decrease for impurities that substitute for iron (Al, Si). We find that boron and nitrogen (to a lesser degree) promote the stabilization of cementite and may be dissolved with the formation of ternary Fe3(C, B) and Fe3(C, N) cementites. Aluminum and especially silicon sharply suppress the formation of cementite.

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“…11(a)). This can be attributed to the contribution of carbide hardness, which exceeds 70 HRC 41,42) and is higher than martensite or pearlite. Therefore, the microstructure contains undissolved carbides, which additionally increases the hardness, resulting in the experimental hardness values to be higher than the estimated values.…”

Section: Resultsmentioning

confidence: 99%

Effect of Spheroidizing Annealing in Combination with Alternating Magnetic Field on Microstructure and Mechanical Properties of GCr15 Bearing Steel

Chen

et al. 2022

ISIJ Int.

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Microstructures and mechanical properties after spheroidizing annealing (SA) of GCr15 bearing steel with and without an alternating magnetic field (AMF) were investigated. It was found that the application of the AMF at the austenitizing stage promoted the dissolution of carbides, accelerated the austenitizing process and increased the hardness of the quenched sample. After isothermal annealing, the carbides in the sample with an AMF more uniformly distributed and became finer in comparison with those without an AMF. The average hardness of the sample treated in the AMF was lower than that without an AMF. The phenomena could be attributed to the enhanced diffusivity in the AMF.

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Effect of solute atoms on the chemical bonding of Fe₃C (cementite)

Cited by 24 publications

References 23 publications

Electronic structure and magnetic properties of Fe₃C with 3d and 4d impurities

Electronic structure and magnetic properties of Fe₃C with 3d and 4d impurities

Electronic structure and magnetic properties of Fe₃C with 2p and 3p impurities

Effect of Spheroidizing Annealing in Combination with Alternating Magnetic Field on Microstructure and Mechanical Properties of GCr15 Bearing Steel

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Effect of solute atoms on the chemical bonding of Fe3C (cementite)

Cited by 24 publications

References 23 publications

Electronic structure and magnetic properties of Fe3C with 3d and 4d impurities

Electronic structure and magnetic properties of Fe3C with 3d and 4d impurities

Electronic structure and magnetic properties of Fe3C with 2p and 3p impurities

Effect of Spheroidizing Annealing in Combination with Alternating Magnetic Field on Microstructure and Mechanical Properties of GCr15 Bearing Steel

Contact Info

Product

Resources

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Effect of solute atoms on the chemical bonding of Fe₃C (cementite)

Electronic structure and magnetic properties of Fe₃C with 3d and 4d impurities

Electronic structure and magnetic properties of Fe₃C with 3d and 4d impurities

Electronic structure and magnetic properties of Fe₃C with 2p and 3p impurities