Stability of immiscible nanocrystalline alloys in compositional and thermal fields

Monti, J. M.; Hopkins, E. M.; Hattar, K.; Abdeljawad, F.; Boyce, B. L.; Dingreville, R.

doi:10.1016/j.actamat.2022.117620

Title: Stability of immiscible nanocrystalline alloys in compositional and thermal fields

Journal Article · Tue Mar 01 00:00:00 EST 2022 · Acta Materialia

DOI:https://doi.org/10.1016/j.actamat.2022.117620· OSTI ID:1841783

Monti, J. M.; Hopkins, E. M.; Hattar, K.; Abdeljawad, F.; Boyce, B. L.; Dingreville, R.

Alloying is often employed to stabilize nanocrystalline materials against microstructural coarsening. The stabilization process results from the combined effects of thermodynamically reducing the curvature-dominated driving force of grain-boundary motion via solute segregation and kinetically pinning these same grain boundaries by solute drag and Zener pinning. The competition between these stabilization mechanisms depends not only on the grain-boundary character but can also be affected by imposed compositional and thermal fields that further promote or inhibit grain growth. In this work, we study the origin of the stability of immiscible nanocrystalline alloys in both homogeneous and heterogeneous compositional and thermal fields by using a multi-phase-field formulation for anisotropic grain growth with grain-boundary character-dependent segregation properties. This generalized formulation allows us to model the distribution of mobilities of segregated grain boundaries and the role of grain-boundary heterogeneity on solute-induced stabilization. As an illustration, we compare our model predictions to experimental results of microstructures in platinum-gold nanocrystalline alloys. Our results reveal that increasing the initial concentration of available solute progressively slows the rate of grain growth via both heterogeneous grain-boundary segregation and Zener pinning, while increasing the temperature generally weakens thermodynamic stabilization effects due to entropic contributions. Finally, we demonstrate as a proof-of-concept that spatially-varying compositional and thermal fields can be used to construct dynamically-stable, graded, nanostructured materials. We discuss the implications of using such concepts as alternatives to conventional plastic deformation methods.

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

Sponsoring Organization:: USDOE National Nuclear Security Administration (NNSA), Office of Defense Nuclear Nonproliferation; USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division; USDOE Laboratory Directed Research and Development (LDRD) Program; US Army Research Office (ARO)

Grant/Contract Number:: NA0003525; W911NF-20-2-0122

OSTI ID:: 1841783

Alternate ID(s):: OSTI ID: 1882859

Report Number(s):: SAND2022-0276J; S1359645422000040; 117620; PII: S1359645422000040

Journal Information:: Acta Materialia, Journal Name: Acta Materialia Vol. 226 Journal Issue: C; ISSN 1359-6454

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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36 MATERIALS SCIENCE
grain growth
segregation
nanocrystalline alloys
graded microstructure
phase-field method

Title: Stability of immiscible nanocrystalline alloys in compositional and thermal fields

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