Statistical perspective on embrittling potency for intergranular fracture

Fernandez, M. E.; Dingreville, Remi; Spearot, D. E.

doi:10.1103/physrevmaterials.6.083602

Statistical perspective on embrittling potency for intergranular fracture

Journal Article · Mon Aug 15 00:00:00 EDT 2022 · Physical Review Materials

DOI:https://doi.org/10.1103/physrevmaterials.6.083602· OSTI ID:1882628

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Univ. of Florida, Gainesville, FL (United States)
Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

Embrittling potency is a thermodynamic metric that assesses the influence of solute segregation to a grain boundary (GB) on intergranular fracture. Historically, authors of studies have reported embrittling potency as a single scalar value, assuming a single segregation site of importance at a GB and a particular cleavage plane. However, the topography of intergranular fracture surfaces is not generally known a priori. Accordingly, we, in this study, present a statistical ensemble approach to compute embrittling potency, where many free surface (FS) permutations are systematically considered to model fracture of a GB. The result is a statistical description of the thermodynamics of GB embrittlement. As a specific example, embrittling potency distributions are presented for Cr segregation to sites at two Ni $$\langle 111 \rangle$$ symmetric tilt GBs using atomistic simulations. We show that the average embrittling potency for a particular GB site, considering an ensemble of FS permutations, is not equal to the embrittling potency computed using the lowest energy pair of FSs. A mean GB embrittlement is proposed, considering both the likelihood of formation of a particular FS and the probability of solute occupancy at each GB site, to compare the relative embrittling behavior of two distinct GBs.

View Accepted Manuscript (DOE)

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

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: NA0003525

OSTI ID:: 1882628

Report Number(s):: SAND2022-10531J; 708834

Journal Information:: Physical Review Materials, Journal Name: Physical Review Materials Journal Issue: 8 Vol. 6; ISSN 2475-9953

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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36 MATERIALS SCIENCE
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probability distribution

Statistical perspective on embrittling potency for intergranular fracture

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