Density functional theory investigation on the stability, adhesion strength, tensile properties and fracture behavior of γ-Fe/Cu heterogeneous nucleation interface

Density functional theory investigation on the stability, adhesion strength, tensile properties and fracture behavior of γ-Fe/Cu heterogeneous nucleation interface

To theoretically study the stability and the heterogeneous nucleation characteristics of γ-Fe/Cu interface in steel/copper bimetallic, the six surface models and seven interface models were investigated through density functional theory. Besides, the interface stability, adhesion energy, electronic...

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Bibliographic Details
Main Authors: Ming-Jie Wang, Guo-Wei Zhang, Hong Xu, Ying Dong, Feng-Er Sun, Yi-Zheng Fu
Format: Article
Language:English
Published: Elsevier 2021-05-01
Series:Results in Physics
Subjects:
Density functional theory
Adhesion energy
Fracture behavior
γ-Fe (110)/Cu (110) interface
Heterogeneous nucleation
Online Access:http://www.sciencedirect.com/science/article/pii/S2211379721002953

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http://www.sciencedirect.com/science/article/pii/S2211379721002953

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