Partitioning of Interstitial Segregants during Decohesion: A DFT Case Study of the Σ3 Symmetric Tilt Grain Boundary in Ferritic Steel

The effect of hydrogen atoms at grain boundaries in metals is usually detrimental to the cohesion of the interface. This effect can be quantified in terms of the strengthening energy, which is obtained following the thermodynamic model of Rice and Wang. A critical component of this model is the bond...

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Bibliographic Details
Main Authors: Xiang Huang, Rebecca Janisch
Format: Article
Language:English
Published: MDPI AG 2019-09-01
Series:Materials
Subjects:
Online Access:https://www.mdpi.com/1996-1944/12/18/2971