Nucleation kinetics model for primary crystallization in Al–Y–Fe metallic glass

Duan, Tianrui; Shen, Ye; Imhoff, Seth D.; Yi, Feng; Voyles, Paul M.; Perepezko, John H.

doi:10.1063/5.0135730

Title: Nucleation kinetics model for primary crystallization in Al–Y–Fe metallic glass

Journal Article · Wed Feb 08 00:00:00 EST 2023 · Journal of Chemical Physics

DOI:https://doi.org/10.1063/5.0135730· OSTI ID:2204194

^[1]; Shen, Ye ^[1];

^[2]; Yi, Feng ^[3];

^[1];

^[1]

University of Wisconsin-Madison, WI (United States)
Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)
Nanolab Technologies, Inc. Milpitas, CA (United States)

The high density of aluminum nanocrystals (>10²¹ m^-3) that develop during the primary crystallization in Al-based metallic glasses indicates a high nucleation rate (~10¹⁸ m^-3 s^-1). Several studies have been advanced to account for the primary crystallization behavior, but none have been developed to completely describe the reaction kinetics. Recently, structural analysis by fluctuation electron microscopy has demonstrated the presence of the Al-like medium range order (MRO) regions as a spatial heterogeneity in as-spun Al₈₈Y₇Fe₅ metallic glass that is representative for the class of Al-based amorphous alloys that develop Al nanocrystals during primary crystallization. From the structural characterization, an MRO seeded nucleation configuration is established, whereby the Al nanocrystals are catalyzed by the MRO core to decrease the nucleation barrier. The MRO seeded nucleation model and the kinetic data from the delay time (τ) measurement provide a full accounting of the evolution of the Al nanocrystal density (N_v) during the primary crystallization under isothermal annealing treatments. Moreover, the calculated values of the steady state nucleation rates (J_ss) predicted by the nucleation model agree with the experimental results. Moreover, the model satisfies constraints on the structural, thermodynamic, and kinetic parameters, such as the critical nucleus size, the interface energy, and the volume-free energy driving force that are essential for a fully self-consistent nucleation kinetics analysis. In conclusion, the nucleation kinetics model can be applied more broadly to materials that are characterized by the presence of spatial heterogeneities.

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Research Organization:: Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)

Sponsoring Organization:: USDOE Laboratory Directed Research and Development (LDRD) Program; US Department of the Navy, Office of Naval Research (ONR); USDOE National Nuclear Security Administration (NNSA); National Science Foundation (NSF)

Grant/Contract Number:: 89233218CNA000001; N000-20-1-2704; DMR-1720415

OSTI ID:: 2204194

Report Number(s):: LA-UR-22-32384

Journal Information:: Journal of Chemical Physics, Vol. 158, Issue 6; ISSN 0021-9606

Publisher:: American Institute of Physics (AIP)Copyright Statement

Country of Publication:: United States

Language:: English

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Title: Nucleation kinetics model for primary crystallization in Al–Y–Fe metallic glass

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