Matching time and spatial scales of rapid solidification: Dynamic TEM experiments coupled to CALPHAD-informed phase-field simulations

Perron, Aurelien; Roehling, John D.; Turchi, Patrice E. A.; Fattebert, Jean -Luc; McKeown, Joseph T.

doi:10.1088/1361-651X/aa9a5b

Title: Matching time and spatial scales of rapid solidification: Dynamic TEM experiments coupled to CALPHAD-informed phase-field simulations

Journal Article · Tue Dec 05 00:00:00 EST 2017 · Modelling and Simulation in Materials Science and Engineering

DOI:https://doi.org/10.1088/1361-651X/aa9a5b· OSTI ID:1415558

^[1]; Roehling, John D. ^[1]; Turchi, Patrice E. A. ^[1];

^[2]; McKeown, Joseph T. ^[1]

Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

A combination of dynamic transmission electron microscopy (DTEM) experiments and CALPHAD-informed phase-field simulations was used to study rapid solidification in Cu–Ni thin-film alloys. Experiments — conducted in the DTEM — consisted of in situ laser melting and determination of the solidification kinetics by monitoring the solid–liquid interface and the overall microstructure evolution (time-resolved measurements) during the solidification process. Modelling of the Cu–Ni alloy microstructure evolution was based on a phase-field model that included realistic Gibbs energies and diffusion coefficients from the CALPHAD framework (thermodynamic and mobility databases). DTEM and post mortem experiments highlighted the formation of microsegregation-free columnar grains with interface velocities varying from ~0.1 to ~0.6 m s-1. After an ‘incubation’ time, the velocity of the planar solid–liquid interface accelerated until solidification was complete. In addition, a decrease of the temperature gradient induced a decrease in the interface velocity. The modelling strategy permitted the simulation (in 1D and 2D) of the solidification process from the initially diffusion-controlled to the nearly partitionless regimes. Finally, results of DTEM experiments and phase-field simulations(grain morphology, solute distribution, and solid–liquid interface velocity) were consistent at similar time (μs) and spatial scales (μm).

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Research Organization:: Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States); Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)

Sponsoring Organization:: USDOE

Grant/Contract Number:: AC52-07NA27344; AC05-00OR22725

OSTI ID:: 1415558

Alternate ID(s):: OSTI ID: 1474574

Report Number(s):: LLNL-JRNL-727840; TRN: US1800836

Journal Information:: Modelling and Simulation in Materials Science and Engineering, Vol. 26, Issue 1; ISSN 0965-0393

Publisher:: IOP PublishingCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 12 works

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Title: Matching time and spatial scales of rapid solidification: Dynamic TEM experiments coupled to CALPHAD-informed phase-field simulations

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