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H Induced Decohesion of an Al Grain Boundary Investigated with First Principles: General Conditions for Instant Breakage and Delayed Fracture

16 Pages Posted: 25 Feb 2019 First Look: Under Review

See all articles by F. J. H. Ehlers

F. J. H. Ehlers

Université Paris VII Denis Diderot - Laboratoire ITODYS; Université Paris XIII Nord - Laboratory of Process and Materials Sciences

M. Seydou

Université Paris VII Denis Diderot - Laboratoire ITODYS

D. Tingaud

Université Paris XIII Nord - Laboratory of Process and Materials Sciences

F. Maurel

Université Paris VII Denis Diderot - Laboratoire ITODYS

Y. Charles

Université Paris XIII Nord - Laboratory of Process and Materials Sciences

S. Queyreau

Université Paris XIII Nord - Laboratory of Process and Materials Sciences

Abstract

The uniaxial tensile test response of a H decorated Σ5 [100] twist grain boundary (GB) in face-centered-cubic Al has been examined with first principles. The impurity shows a strong tendency to relocate during loading. To capture these H movements, the standard model framework was extended to probe loading-unloading hysteresis. If the maximum tensile stress accepted by the H decorated GB in the slow fracture limit is reached before the maximum acceptable strain, exceeding this stress may trigger a H influx-controlled destabilization, as opposed to 'immediate' breakage. Such 'delayed' failure appears likely whenever the H attraction to a GB displays a monotonic decrease with increased loading.

Keywords: fracture, metal grain boundary, H embrittlement, aluminum, first-principle calculation

Suggested Citation

Ehlers, F. J. H. and Seydou, M. and Tingaud, D. and Maurel, F. and Charles, Y. and Queyreau, S., H Induced Decohesion of an Al Grain Boundary Investigated with First Principles: General Conditions for Instant Breakage and Delayed Fracture (February 22, 2019). Available at SSRN: https://ssrn.com/abstract=3339474

F. J. H. Ehlers (Contact Author)

Université Paris VII Denis Diderot - Laboratoire ITODYS ( email )

Bâtiment 630
Plateau de Moulon
Gif sur Yvette
France

Université Paris XIII Nord - Laboratory of Process and Materials Sciences ( email )

Avenue Jean Baptiste Clement
Villetaneuse, 93430
France

M. Seydou

Université Paris VII Denis Diderot - Laboratoire ITODYS

Bâtiment 630
Plateau de Moulon
Gif sur Yvette
France

D. Tingaud

Université Paris XIII Nord - Laboratory of Process and Materials Sciences

Avenue Jean Baptiste Clement
Villetaneuse, 93430
France

F. Maurel

Université Paris VII Denis Diderot - Laboratoire ITODYS

Bâtiment 630
Plateau de Moulon
Gif sur Yvette
France

Y. Charles

Université Paris XIII Nord - Laboratory of Process and Materials Sciences

Avenue Jean Baptiste Clement
Villetaneuse, 93430
France

S. Queyreau

Université Paris XIII Nord - Laboratory of Process and Materials Sciences

Avenue Jean Baptiste Clement
Villetaneuse, 93430
France

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