On the interaction of solutes with grain boundaries

Dingreville, Remi Philippe Michel; Berbenni, Stephane

doi:10.1016/j.actamat.2015.11.017

On the interaction of solutes with grain boundaries

Journal Article · Sun Nov 01 00:00:00 EDT 2015 · Acta Materialia

DOI:https://doi.org/10.1016/j.actamat.2015.11.017· OSTI ID:1238646

Dingreville, Remi Philippe Michel ^[1]; Berbenni, Stephane ^[2]

Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
Univ. de Lorraine, Metz (France)

Solute segregation to grain boundaries is considered by modeling solute atoms as misfitting inclusions within a disclination structural unit model describing the grain boundary structure and its intrinsic stress field. The solute distribution around grain boundaries is described through Fermi–Dirac statistics of site occupancy. The susceptibility of hydrogen segregation to symmetric tilt grain boundaries is discussed in terms of the misorientation angle, the defect type characteristics at the grain boundary, temperature, and the prescribed bulk hydrogen fraction of occupied sites. Through this formalism, it is found that hydrogen trapping on grain boundaries clearly correlates with the grain boundary structure (i.e. type of structural unit composing the grain boundary), and the associated grain boundary misorientation. Specifically, for symmetric tilt grain boundaries about the [001] axis, grain boundaries composed of both B and C structural units show a lower segregation susceptibility than other grain boundaries. A direct correlation between the segregation susceptibility and the intrinsic net defect density is provided through the Frank–Bilby formalism. Moreover, the present formulation could prove to be a simple and useful model to identify classes of grain boundaries relevant to grain boundary engineering.

View Accepted Manuscript (DOE)

Research Organization:: Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States)

Sponsoring Organization:: USDOE National Nuclear Security Administration (NNSA)

Grant/Contract Number:: AC04-94AL85000

OSTI ID:: 1238646

Alternate ID(s):: OSTI ID: 1343803
OSTI ID: 22554396
OSTI ID: 1397684

Report Number(s):: SAND2015-10306J; 611796

Journal Information:: Acta Materialia, Journal Name: Acta Materialia Journal Issue: C Vol. 104; ISSN 1359-6454

Country of Publication:: United States

Language:: English

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Segregation competition and complexion coexistence within a polycrystalline grain boundary network Garg, P.; Pan, Z.; Turlo, V. arXiv https://doi.org/10.48550/arxiv.2103.16678	preprint	January 2021

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