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DOE OSTI · 1991981

Grain boundary effects in high-temperature liquid-metal dealloying: a multi-phase field study

Bieberdorf, Nathan (ORCID:0000000347323045)·Asta, Mark (ORCID:000000028968321X)·Capolungo, Laurent (ORCID:0000000180797790)
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Abstract

Abstract A multi-phase field model is employed to study the microstructural evolution of an alloy undergoing liquid dealloying, specifically considering the role of grain boundaries. A semi-implicit time-stepping algorithm using spectral methods is implemented, which enables simulating large 2D and 3D domains over long time scales while still maintaining a realistic interfacial thickness. Simulations reveal a mechanism of coupled grain–boundary migration to maintain equilibrium contact angles with the topologically complex solid–liquid interface, which locally accelerates diffusion-coupled growth of a liquid channel into the precursor. This mechanism asymmetrically disrupts the ligament connectivity of the dealloyed structure in qualitative agreement with published experimental observations. The grain boundary migration-assisted corrosion channels form even for precursors with small amounts of the dissolving alloy species, below the parting limit . The activation of this grain boundary dealloying mechanism depends strongly on grain boundary mobility.

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36 MATERIALS SCIENCECoarse-grained modelsComputational methodsPorous materialsSynthesis and processing

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Bieberdorf, Nathan (ORCID:0000000347323045), Asta, Mark (ORCID:000000028968321X), Capolungo, Laurent (ORCID:0000000180797790). 2023-07-21. Grain boundary effects in high-temperature liquid-metal dealloying: a multi-phase field study. https://doi.org/10.1038/s41524-023-01076-7

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