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Phase-Field Modeling of Nucleation in Solid-State Phase Transformations

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Abstract

Nucleation is a critically important process as the rate of nucleation determines the number density of new phase particles and thus microstructures of a material during phase transformations. Predicting and controlling nucleation rates in solids is one of the grand challenges in materials science because the spatial scale involved in nucleation is at the atomic/nanoscale, the rate of nucleation process is extremely temperature sensitive, and the morphology of a critical nucleus can be highly nonspherical and complex. In this article, we briefly review the recent advances in modeling and predicting nucleation during solid-phase transformations based on the diffuse-interface or nonclassical description of critical nucleus profiles. The focus is on predicting the critical nucleus morphology and nucleation free energy barrier under the influence of anisotropic interfacial energy and elastic interactions. Incorporation of nucleation events in phase-field modeling of solid-to-solid phase transformations and microstructure evolution is also discussed.

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Acknowledgements

The work of T.W. Heo was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. This work was funded by the Laboratory Directed Research and Development Program at LLNL under project tracking code 12-ERD-053. L.Q. Chen acknowledges the financial support by NSF under CMMI-1235092 and DOE Basic Sciences under the CMCSN Program. We acknowledge the figure permissions from the American Physical Society, Elsevier, Springer, Global Science Press, Taylor & Francis, IOP Publishing, and Dr. L. Zhang.

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Authors and Affiliations

  1. Condensed Matter and Materials Division, Lawrence Livermore National Laboratory, Livermore, CA, 94550, USA

    Tae Wook Heo

  2. Department of Materials Science and Engineering, The Pennsylvania State University, University Park, PA, 16802, USA

    Long-Qing Chen

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  1. Tae Wook Heo
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  2. Long-Qing Chen
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Correspondence to Tae Wook Heo.

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Heo, T.W., Chen, LQ. Phase-Field Modeling of Nucleation in Solid-State Phase Transformations. JOM 66, 1520–1528 (2014). https://doi.org/10.1007/s11837-014-1033-9

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