Density functional theory study of the interfacial properties of Ni/Ni3Si eutectic alloy

Zhao, Yuhong; Wen, Zhiqin; Hou, Hua; Guo, Wei; Han, Peide

doi:10.1016/j.apsusc.2014.02.149

Cited by 13 publications

(3 citation statements)

References 29 publications

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“…24 This interfacial structure with microsteps is also connected with the covalent features, which are influenced by the hybridization of Ni-3d and Si-3p orbital electrons. 25 Magnetic properties of the Ni-Ni 3 Si eutectic and the Ni 3 Si template.-The magnetic curves of the Ni-Ni 3 Si eutectic and the Ni 3 Si template are illustrated in Fig. 6.…”

Section: Orientationmentioning

confidence: 99%

Electrochemical Production of a Magnetic Ni₃Si Template in Lamellar Ni–Si Eutectic Alloy

Wei¹,

Zhao²,

Gao³

et al. 2017

J. Electrochem. Soc.

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A novel magnetic Ni3Si template was fabricated through the selective dissolution of lamellar Ni–11.5wt% Si eutectic alloy composed of α-Ni and β-Ni3Si. The α-Ni phase in the lamellar Ni–Ni3Si eutectic alloy was selectively dissolved, and a lamellar β-Ni3Si template with a thickness of 715 μm was successfully extracted. Many crystalline structures were present on the surface of β-Ni3Si slices of the lamellar Ni–Ni3Si eutectic alloy after dissolving the α-Ni phase. This result can be attributed to the non-coherent plane in the interface of α-Ni/β-Ni3Si. The permeability of the lamellar Ni3Si template was determined by measuring the pulse current during polarization. Magnetic analysis indicated that the Ni–Ni3Si eutectic alloy was ferromagnetic below 152 K with low saturation magnetization and the lamellar template exhibited a paramagnetic-to-ferromagnetic transition at low temperatures (3–15 K).

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Section: Orientationmentioning

confidence: 99%

Electrochemical Production of a Magnetic Ni₃Si Template in Lamellar Ni–Si Eutectic Alloy

Wei¹,

Zhao²,

Gao³

et al. 2017

J. Electrochem. Soc.

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“…However, solid/solid interfacial adhesion and energy are difficult to be obtained by experiment. Recently, the first-principles calculation has been successfully used in the detailed study of metal/ceramic interface adhesion of Al-base [ 8 ], Mg [ 9 ] Fe [ 10 ] and Ni [ 11 ]. In the present work, the first principles calculation will be employed to study the Cu/ γ -Fe interfacial properties to make clear the effect of alloying elements on the nucleation of γ -Fe in the early stage of aging of the Cu-Fe alloy.…”

Section: Introductionmentioning

confidence: 99%

First-Principles Study on the Cu/Fe Interface Properties of Ternary Cu-Fe-X Alloys

Wang

Gao

et al. 2020

Materials

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The supersaturated Fe in Cu is known to reduce the electrical conductivity of Cu severely. However, the precipitation kinetics of Fe from Cu are sluggish. Alloying is one of the effective ways to accelerate the aging precipitation of Cu-Fe alloys. Nucleation plays an important role in the early stage of aging. The interface property of Cu/γ–Fe is a key parameter in understanding the nucleation mechanism of γ-Fe, which can be obviously affected with the addition of alloying elements. In this paper, first principles calculations were carried out to investigate the influence of alloying elements on the interface properties, including the geometric optimizations, interfacial energy, work of adhesion and electronic structure. Based on the previous research, 14 elements including B, Si, P, Al, Ge, S, Mg, Ag, Cd, Sn, In, Sb, Zr and Bi were selected for investigation. Results showed that all these alloying elements tend to concentrate in the Cu matrix with the specific substitution position of the atoms determined by the binding energy between Fe and alloy element (X). The bonding strength of the Cu/γ-Fe interface will decrease obviously after adding Ag, Mg and Cd, while a drop in interfacial energy of Cu/γ–Fe will happen when alloyed with Al, B, S, P, Si, Ge, Sn, Zr, Bi, Sb and In. Further study of the electronic structure found that Al and Zr were not effective alloying elements.

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“…Dendrite growth velocity for nonequilibrium solidification process has been investigated for a number of highly undercooled metallic materials, such as Ni [1,2], Ni-Zr [3], Fe-Ni [4] alloys, etc. It has been found that a structure transition occurs from a coarse dendrite structure to a fine equiaxed grain structure as the initial bulk undercooling exceeds a critical value Δ T * [5–32]. The mechanism for structure refinement in solidification of undercooled melt has been a topic with wide attentions [5–8].…”

Section: Introductionmentioning

confidence: 99%

The growth velocity-undercooling relationship of highly undercooled Ni and Ni-Cu melts

Zhao

Hou

2019

Materials Science and Technology

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Solidification velocities as a function of initial bulk undercoolings were systematically investigated using high speed thermal imaging of highly undercooled pure Ni and Ni-Cu alloy samples. For pure Ni, the dendrite growth velocity increased continuously to a maximum value of about 52 m s−1 at a maximum undercooling of 320 K. For Ni-Cu alloy, the dendrite growth velocity first increased continuously and then discontinuously to a maximum value of about 55 m s−1 at 300 K. A clear discontinuity appeared in the growth velocity-undercooling curve is considered to be caused by the finite speed of solute diffusion in the bulk liquid ahead of the migrating solid–liquid interface.

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Density functional theory study of the interfacial properties of Ni/Ni3Si eutectic alloy

Cited by 13 publications

References 29 publications

Electrochemical Production of a Magnetic Ni₃Si Template in Lamellar Ni–Si Eutectic Alloy

Electrochemical Production of a Magnetic Ni₃Si Template in Lamellar Ni–Si Eutectic Alloy

First-Principles Study on the Cu/Fe Interface Properties of Ternary Cu-Fe-X Alloys

The growth velocity-undercooling relationship of highly undercooled Ni and Ni-Cu melts

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Density functional theory study of the interfacial properties of Ni/Ni3Si eutectic alloy

Cited by 13 publications

References 29 publications

Electrochemical Production of a Magnetic Ni3Si Template in Lamellar Ni–Si Eutectic Alloy

Electrochemical Production of a Magnetic Ni3Si Template in Lamellar Ni–Si Eutectic Alloy

First-Principles Study on the Cu/Fe Interface Properties of Ternary Cu-Fe-X Alloys

The growth velocity-undercooling relationship of highly undercooled Ni and Ni-Cu melts

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Electrochemical Production of a Magnetic Ni₃Si Template in Lamellar Ni–Si Eutectic Alloy

Electrochemical Production of a Magnetic Ni₃Si Template in Lamellar Ni–Si Eutectic Alloy