Revealing the influence of solute segregation on the stability and strength of Cu Σ11 [110](113) symmetrical tilt grain boundary via first-principles investigation

Revealing the influence of solute segregation on the stability and strength of Cu Σ11 [110](113) symmetrical tilt grain boundary via first-principles investigation

The stability and strength of the grain boundary (GB) structure are critical for the practical application of nanocrystals. This study systematically calculates the impact of the segregation of 26 transitional alloy elements on Cu Σ11 [110](113) GB using the first-principle theoretical calculation m...

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Bibliographic Details
Main Authors: Jinhao Zhang, Aiqin Wang, Youcheng Zhang, Jiale Ji, Tingting Liang, Haisheng Li, Jingpei Xie
Format: Article
Language:English
Published: Elsevier 2023-09-01
Series:Journal of Materials Research and Technology
Subjects:
Density functional theory
Grain boundary
Segregation
Strength
Tensile
Online Access:http://www.sciencedirect.com/science/article/pii/S2238785423022032

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http://www.sciencedirect.com/science/article/pii/S2238785423022032

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