Matching time and spatial scales of rapid solidification: Dynamic TEM experiments coupled to CALPHAD-informed phase-field simulations
Abstract
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).
- Authors:
-
- 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)
- Publication Date:
- Research Org.:
- Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States); Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)
- Sponsoring Org.:
- USDOE
- OSTI Identifier:
- 1415558
- Alternate Identifier(s):
- OSTI ID: 1474574
- Report Number(s):
- LLNL-JRNL-727840
Journal ID: ISSN 0965-0393; TRN: US1800836
- Grant/Contract Number:
- AC52-07NA27344; AC05-00OR22725
- Resource Type:
- Journal Article: 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
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE; rapid solidification; dynamic TEM; phase-field; CALPHAD; Cu–Ni alloys
Citation Formats
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., 2017.
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. https://doi.org/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. https://doi.org/10.1088/1361-651X/aa9a5b. https://www.osti.gov/servlets/purl/1415558.
@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. 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).},
doi = {10.1088/1361-651X/aa9a5b},
url = {https://www.osti.gov/biblio/1415558},
journal = {Modelling and Simulation in Materials Science and Engineering},
issn = {0965-0393},
number = 1,
volume = 26,
place = {United States},
year = {Tue Dec 05 00:00:00 EST 2017},
month = {Tue Dec 05 00:00:00 EST 2017}
}
Web of Science
Works referenced in this record:
Solidification velocity of undercooled Ni–Cu alloys
journal, August 2003
- Algoso, P. R.; Hofmeister, W. H.; Bayuzick, R. J.
- Acta Materialia, Vol. 51, Issue 14
A microscopic theory for antiphase boundary motion and its application to antiphase domain coarsening
journal, June 1979
- Allen, Samuel M.; Cahn, John W.
- Acta Metallurgica, Vol. 27, Issue 6
Models for numerical treatment of multicomponent diffusion in simple phases
journal, August 1992
- Andersson, Jan‐Olof; Ågren, John
- Journal of Applied Physics, Vol. 72, Issue 4
Model for solute redistribution during rapid solidification
journal, February 1982
- Aziz, M. J.
- Journal of Applied Physics, Vol. 53, Issue 2
Additive manufacturing methods and modelling approaches: a critical review
journal, July 2015
- Bikas, H.; Stavropoulos, P.; Chryssolouris, G.
- The International Journal of Advanced Manufacturing Technology, Vol. 83, Issue 1-4
Mechanisms of microsegregation-free solidification
journal, July 1984
- Boettinger, W. J.; Coriell, S. R.; Sekerka, R. F.
- Materials Science and Engineering, Vol. 65, Issue 1
DICTRA, a tool for simulation of diffusional transformations in alloys
journal, May 2000
- Borgenstam, Annika; Höglund, Lars; Ågren, John
- Journal of Phase Equilibria, Vol. 21, Issue 3
Time resolved electron microscopy for in situ experiments
journal, December 2014
- Campbell, Geoffrey H.; McKeown, Joseph T.; Santala, Melissa K.
- Applied Physics Reviews, Vol. 1, Issue 4
Evidence for an extensive, undercooling-mediated transition in growth orientation, and novel dendritic seaweed microstructures in Cu–8.9wt.% Ni
journal, March 2014
- Castle, Elinor G.; Mullis, Andrew M.; Cochrane, Robert F.
- Acta Materialia, Vol. 66
A numerical algorithm for the solution of a phase-field model of polycrystalline materials
journal, February 2010
- Dorr, M. R.; Fattebert, J. -L.; Wickett, M. E.
- Journal of Computational Physics, Vol. 229, Issue 3
Multiphase-field approach for multicomponent alloys with extrapolation scheme for numerical application
journal, June 2006
- Eiken, J.; Böttger, B.; Steinbach, I.
- Physical Review E, Vol. 73, Issue 6
Rapid directional solidification excited from bulk supercooled melt
journal, January 1997
- Faqin, Xie; Jun, Zhang; Xiemin, Mao
- Journal of Materials Processing Technology, Vol. 63, Issue 1-3
Phase-field modeling of coring during solidification of Au–Ni alloy using quaternions and CALPHAD input
journal, January 2014
- Fattebert, J. -L.; Wickett, M. E.; Turchi, P. E. A.
- Acta Materialia, Vol. 62
Metal Additive Manufacturing: A Review
journal, April 2014
- Frazier, William E.
- Journal of Materials Engineering and Performance, Vol. 23, Issue 6
The status, challenges, and future of additive manufacturing in engineering
journal, December 2015
- Gao, Wei; Zhang, Yunbo; Ramanujan, Devarajan
- Computer-Aided Design, Vol. 69
Thermal conductivity of high-temperature Si–B–C–N thin films
journal, December 2011
- Gengler, Jamie J.; Hu, Jianjun; Jones, John G.
- Surface and Coatings Technology, Vol. 206, Issue 7
Dissolution and interfacial reactions of thin-film Ti/Ni/Ag metallizations in solder joints
journal, August 2001
- Ghosh, G.
- Acta Materialia, Vol. 49, Issue 14
On the primary spacing and microsegregation of cellular dendrites in laser deposited Ni–Nb alloys
journal, June 2017
- Ghosh, Supriyo; Ma, Li; Ofori-Opoku, Nana
- Modelling and Simulation in Materials Science and Engineering, Vol. 25, Issue 6
Highly undercooled alloys: Structure and properties
journal, November 1974
- Kattamis, T. Z.; Mehrabian, R.
- Journal of Vacuum Science and Technology, Vol. 11, Issue 6
Application of finite element, phase-field, and CALPHAD-based methods to additive manufacturing of Ni-based superalloys
journal, October 2017
- Keller, Trevor; Lindwall, Greta; Ghosh, Supriyo
- Acta Materialia, Vol. 139
Influence of Nb and Mo on microstructure formation of rapidly solidified ternary Ti–Al-(Nb, Mo) alloys
journal, February 2016
- Kenel, C.; Leinenbach, C.
- Intermetallics, Vol. 69
Influence of cooling rate on microstructure formation during rapid solidification of binary TiAl alloys
journal, July 2015
- Kenel, C.; Leinenbach, C.
- Journal of Alloys and Compounds, Vol. 637
Phase-field modeling of rapid solidification
journal, May 2001
- Kim, Seong Gyoon; Tae Kim, Won
- Materials Science and Engineering: A, Vol. 304-306
Phase-field model for binary alloys
journal, December 1999
- Kim, Seong Gyoon; Kim, Won Tae; Suzuki, Toshio
- Physical Review E, Vol. 60, Issue 6
Rapid solidification processing and microstructure formation
journal, May 1994
- Kurz, W.; Trivedi, R.
- Materials Science and Engineering: A, Vol. 179-180
Movie-mode dynamic electron microscopy
journal, January 2015
- LaGrange, Thomas; Reed, Bryan W.; Masiel, Daniel J.
- MRS Bulletin, Vol. 40, Issue 1
Solidification behavior of undercooled Cu70Ni30 alloy melt
journal, January 2000
- Li, J. F.; Zhou, Y. H.; Yang, G. C.
- Materials Science and Engineering: A, Vol. 277, Issue 1-2
A predictive equation for solute diffusivity in liquid metals
journal, August 2006
- Liu, Yong; Long, Zhengyi; Wang, Haibing
- Scripta Materialia, Vol. 55, Issue 4
In situ transmission electron microscopy of crystal growth-mode transitions during rapid solidification of a hypoeutectic Al–Cu alloy
journal, February 2014
- McKeown, Joseph T.; Kulovits, Andreas K.; Liu, Can
- Acta Materialia, Vol. 65
Time-Resolved In Situ Measurements During Rapid Alloy Solidification: Experimental Insight for Additive Manufacturing
journal, January 2016
- McKeown, Joseph T.; Zweiacker, Kai; Liu, Can
- JOM, Vol. 68, Issue 3
Thermodynamic re-evaluation of the CuNi system
journal, July 1992
- an Mey, Sabine
- Calphad, Vol. 16, Issue 3
Stability of a Planar Interface During Solidification of a Dilute Binary Alloy
journal, February 1964
- Mullins, W. W.; Sekerka, R. F.
- Journal of Applied Physics, Vol. 35, Issue 2
Phase field theory of polycrystalline solidification in three dimensions
journal, July 2005
- Pusztai, T.; Bortel, G.; Gránásy, L.
- Europhysics Letters (EPL), Vol. 71, Issue 1
Algebraic Representation of Thermodynamic Properties and the Classification of Solutions
journal, February 1948
- Redlich, Otto; Kister, A. T.
- Industrial & Engineering Chemistry, Vol. 40, Issue 2
Assessment of diffusion mobilities in FCC Cu–Ni alloys
journal, March 2008
- Wang, J.; Liu, H. S.; Liu, L. B.
- Calphad, Vol. 32, Issue 1
Nucleation in bulk undercooled nickel-base alloys
journal, February 1988
- Willnecker, R.; Herlach, D. M.; Feuerbacher, B.
- Materials Science and Engineering, Vol. 98
Evidence of nonequilibrium processes in rapid solidification of undercooled metals
journal, June 1989
- Willnecker, R.; Herlach, D. M.; Feuerbacher, B.
- Physical Review Letters, Vol. 62, Issue 23
Thermal stability of magnetron sputtered Si–B–C–N materials at temperatures up to 1700°C
journal, October 2010
- Zeman, P.; Čapek, J.; Čerstvý, R.
- Thin Solid Films, Vol. 519, Issue 1
Characterization of the banded structure in rapidly solidified AlCu alloys
journal, March 1991
- Zimmermann, M.; Carrard, M.; Gremaud, M.
- Materials Science and Engineering: A, Vol. 134