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author:

Li, Jiaqing (Li, Jiaqing.) [1] (Scholars:李加庆) | Wu, Ziyue (Wu, Ziyue.) [2] | Yin, Pengbo (Yin, Pengbo.) [3] (Scholars:尹鹏博) | Teng, Lin (Teng, Lin.) [4] (Scholars:滕霖) | Zhang, Che (Zhang, Che.) [5] | Deng, Guanyu (Deng, Guanyu.) [6] | Luo, Yu (Luo, Yu.) [7] | Jiang, Lilong (Jiang, Lilong.) [8] (Scholars:江莉龙)

Indexed by:

EI Scopus SCIE

Abstract:

Understanding the interactions between hydrogen and material integrity in polycrystalline alpha-Fe is essential for advancing the reliability of critical infrastructure and energy systems. In this study, molecular dynamics simulations were implemented to pinpoint the crack propagation behaviour and mechanism in polycrystalline alpha-Fe under various hydrogen concentrations and temperatures. The results show that a phase transition from body-centred cubic to face-centred cubic structure first occurs at the crack tip, followed by grain boundary-mediated plasticity activities at room temperature devoid of hydrogen. A limited amount of hydrogen atoms (H/Fe atomic ratio<1%) induces twinning emission from the tip, and increasing temperature further enhances dislocation plasticity as a consequence of decreased unstable stacking fault energy, thereby leading to the blunting of the crack tip. At high hydrogen concentrations (H/Fe atomic ratio>1%), the formed hydrides ahead of the crack tip suppress the phase transition, and concurrently temperature-enhanced dislocation plasticity disappears. As a consequence, the crack propagation proceeds via grain boundary cavity nucleation and growth, and ultimately evolves into intergranular fracture. These findings provide an atomistic-level explanation for temperature-dependent hydrogen-crack interaction mechanisms, and reveal a transition in the fracture mode from ductile transgranular to intergranular failure associated with locally high hydrogen concentrations found in the experiments.

Keyword:

Cavity nucleation Crack propagation Hydrogen embrittlement Intergranular fracture Phase transition

Community:

  • [ 1 ] [Li, Jiaqing]Fuzhou Univ, Coll Chem Engn, Fuzhou 350116, Peoples R China
  • [ 2 ] [Wu, Ziyue]Fuzhou Univ, Coll Chem Engn, Fuzhou 350116, Peoples R China
  • [ 3 ] [Yin, Pengbo]Fuzhou Univ, Coll Chem Engn, Fuzhou 350116, Peoples R China
  • [ 4 ] [Teng, Lin]Fuzhou Univ, Coll Chem Engn, Fuzhou 350116, Peoples R China
  • [ 5 ] [Zhang, Che]Univ Melbourne, Dept Mech Engn, Parkville, Vic 3010, Australia
  • [ 6 ] [Deng, Guanyu]Univ Wollongong, Sch Mech Mat Mechatron & Biomed Engn, Wollongong, NSW 2522, Australia
  • [ 7 ] [Luo, Yu]Fuzhou Univ, Natl Engn Res Ctr Chem Fertilizer Catalyst, Fuzhou 350002, Peoples R China
  • [ 8 ] [Jiang, Lilong]Fuzhou Univ, Natl Engn Res Ctr Chem Fertilizer Catalyst, Fuzhou 350002, Peoples R China

Reprint 's Address:

  • [Yin, Pengbo]Fuzhou Univ, Coll Chem Engn, Fuzhou 350116, Peoples R China;;[Zhang, Che]Univ Melbourne, Dept Mech Engn, Parkville, Vic 3010, Australia;;

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Source :

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

ISSN: 0360-3199

Year: 2024

Volume: 85

Page: 500-510

8 . 1 0 0

JCR@2023

Cited Count:

WoS CC Cited Count:

SCOPUS Cited Count:

ESI Highly Cited Papers on the List: 0 Unfold All

WanFang Cited Count:

Chinese Cited Count:

30 Days PV: 0

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