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

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. Lastly, 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).
Authors:
ORCiD logo [1] ;  [1] ;  [1] ; ORCiD logo [2] ;  [1]
  1. Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
  2. Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Publication Date:
Report Number(s):
LLNL-JRNL-727840
Journal ID: ISSN 0965-0393; TRN: US1800836
Grant/Contract Number:
AC52-07NA27344; AC05-00OR22725
Type:
Accepted Manuscript
Journal Name:
Modelling and Simulation in Materials Science and Engineering
Additional Journal Information:
Journal Volume: 26; Journal Issue: 1; Journal ID: ISSN 0965-0393
Publisher:
IOP Publishing
Research Org:
Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Sponsoring Org:
USDOE
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; rapid solidification; dynamic TEM; phase-field; CALPHAD; Cu–Ni alloys
OSTI Identifier:
1415558
Alternate Identifier(s):
OSTI ID: 1474574

Perron, Aurelien, Roehling, John D., Turchi, Patrice E. A., Fattebert, Jean -Luc, and McKeown, Joseph T.. Matching time and spatial scales of rapid solidification: Dynamic TEM experiments coupled to CALPHAD-informed phase-field simulations. United States: N. p., Web. doi:10.1088/1361-651X/aa9a5b.
Perron, Aurelien, Roehling, John D., Turchi, Patrice E. A., Fattebert, Jean -Luc, & McKeown, Joseph T.. Matching time and spatial scales of rapid solidification: Dynamic TEM experiments coupled to CALPHAD-informed phase-field simulations. United States. doi:10.1088/1361-651X/aa9a5b.
Perron, Aurelien, Roehling, John D., Turchi, Patrice E. A., Fattebert, Jean -Luc, and McKeown, Joseph T.. 2017. "Matching time and spatial scales of rapid solidification: Dynamic TEM experiments coupled to CALPHAD-informed phase-field simulations". United States. doi:10.1088/1361-651X/aa9a5b.
@article{osti_1415558,
title = {Matching time and spatial scales of rapid solidification: Dynamic TEM experiments coupled to CALPHAD-informed phase-field simulations},
author = {Perron, Aurelien and Roehling, John D. and Turchi, Patrice E. A. and Fattebert, Jean -Luc and McKeown, Joseph T.},
abstractNote = {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. Lastly, 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).},
doi = {10.1088/1361-651X/aa9a5b},
journal = {Modelling and Simulation in Materials Science and Engineering},
number = 1,
volume = 26,
place = {United States},
year = {2017},
month = {12}
}