Studies of the interfacial structure of a linear friction welded Fe/Ni joint: First principles calculation and TEM validation

T. J. Ma; Y. G. Li; W. Y. Li; Y. Zhang; D. G. Shi; A. Vairis

doi:10.1016/j.matchar.2017.04.008

Studies of the interfacial structure of a linear friction welded Fe/Ni joint: First principles calculation and TEM validation

T. J. Ma
, Y. G. Li
, W. Y. Li
, Y. Zhang
, D. G. Shi
, A. Vairis

School of Materials Sience and Engineering

Northwestern Polytechnical University Xian

Research output: Contribution to journal › Article › peer-review

14 Scopus citations

Abstract

In this work, the interfacial structure of a linear friction welded (LFWed) Fe/Ni joint was studied using CASTEP based on first principles. Calculations clearly show that the Fe(100)/Ni(100) structure is the most stable bonding structure at the Fe/Ni interface, where 3d orbital electrons have a significant contribution to the interface bond and the Fe(3d)-Ni(3d) bond displays a strong covalent bonding effect. Transmission electron microscopy and energy-dispersive X-ray spectroscopy were used to evaluate the LFWed Fe/Ni interface. The experimental results show that the stable bonding structure appears at the weld edge and the orientation is (100)_Fe//(100)_Ni, [010]_Fe//[011]_Ni, as predicted by calculations. While at the weld center orientation is (011)Fe//(101-)Ni, [100]Fe//[112-]Ni due to lattice distortion.

Original language	English
Pages (from-to)	60-66
Number of pages	7
Journal	Materials Characterization
Volume	129
DOIs	https://doi.org/10.1016/j.matchar.2017.04.008
State	Published - 1 Jul 2017

Keywords

Bonding structure
First principles
Interface
Linear friction welding

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10.1016/j.matchar.2017.04.008

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@article{1a890a4142d64fe08174bc6fad28dc0c,

title = "Studies of the interfacial structure of a linear friction welded Fe/Ni joint: First principles calculation and TEM validation",

abstract = "In this work, the interfacial structure of a linear friction welded (LFWed) Fe/Ni joint was studied using CASTEP based on first principles. Calculations clearly show that the Fe(100)/Ni(100) structure is the most stable bonding structure at the Fe/Ni interface, where 3d orbital electrons have a significant contribution to the interface bond and the Fe(3d)-Ni(3d) bond displays a strong covalent bonding effect. Transmission electron microscopy and energy-dispersive X-ray spectroscopy were used to evaluate the LFWed Fe/Ni interface. The experimental results show that the stable bonding structure appears at the weld edge and the orientation is (100)Fe//(100)Ni, [010]Fe//[011]Ni, as predicted by calculations. While at the weld center orientation is (011)Fe//(101-)Ni, [100]Fe//[112-]Ni due to lattice distortion.",

keywords = "Bonding structure, First principles, Interface, Linear friction welding",

author = "Ma, \{T. J.\} and Li, \{Y. G.\} and Li, \{W. Y.\} and Y. Zhang and Shi, \{D. G.\} and A. Vairis",

note = "Publisher Copyright: {\textcopyright} 2017 Elsevier Inc.",

year = "2017",

month = jul,

day = "1",

doi = "10.1016/j.matchar.2017.04.008",

language = "英语",

volume = "129",

pages = "60--66",

journal = "Materials Characterization",

issn = "1044-5803",

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}

TY - JOUR

T1 - Studies of the interfacial structure of a linear friction welded Fe/Ni joint

T2 - First principles calculation and TEM validation

AU - Ma, T. J.

AU - Li, Y. G.

AU - Li, W. Y.

AU - Zhang, Y.

AU - Shi, D. G.

AU - Vairis, A.

PY - 2017/7/1

Y1 - 2017/7/1

N2 - In this work, the interfacial structure of a linear friction welded (LFWed) Fe/Ni joint was studied using CASTEP based on first principles. Calculations clearly show that the Fe(100)/Ni(100) structure is the most stable bonding structure at the Fe/Ni interface, where 3d orbital electrons have a significant contribution to the interface bond and the Fe(3d)-Ni(3d) bond displays a strong covalent bonding effect. Transmission electron microscopy and energy-dispersive X-ray spectroscopy were used to evaluate the LFWed Fe/Ni interface. The experimental results show that the stable bonding structure appears at the weld edge and the orientation is (100)Fe//(100)Ni, [010]Fe//[011]Ni, as predicted by calculations. While at the weld center orientation is (011)Fe//(101-)Ni, [100]Fe//[112-]Ni due to lattice distortion.

AB - In this work, the interfacial structure of a linear friction welded (LFWed) Fe/Ni joint was studied using CASTEP based on first principles. Calculations clearly show that the Fe(100)/Ni(100) structure is the most stable bonding structure at the Fe/Ni interface, where 3d orbital electrons have a significant contribution to the interface bond and the Fe(3d)-Ni(3d) bond displays a strong covalent bonding effect. Transmission electron microscopy and energy-dispersive X-ray spectroscopy were used to evaluate the LFWed Fe/Ni interface. The experimental results show that the stable bonding structure appears at the weld edge and the orientation is (100)Fe//(100)Ni, [010]Fe//[011]Ni, as predicted by calculations. While at the weld center orientation is (011)Fe//(101-)Ni, [100]Fe//[112-]Ni due to lattice distortion.

KW - Bonding structure

KW - First principles

KW - Interface

KW - Linear friction welding

UR - https://www.scopus.com/pages/publications/85018945769

U2 - 10.1016/j.matchar.2017.04.008

DO - 10.1016/j.matchar.2017.04.008

M3 - 文章

AN - SCOPUS:85018945769

SN - 1044-5803

VL - 129

SP - 60

EP - 66

JO - Materials Characterization

JF - Materials Characterization

ER -

Studies of the interfacial structure of a linear friction welded Fe/Ni joint: First principles calculation and TEM validation

Abstract

Keywords

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