Abstract
The martensitic transformation of austenite as well as the reversion of martensite to austenite has been reported to significantly improve mechanical properties of steels. In the present work, three dimensional (3D) elastoplastic phase-field simulations are performed to study the kinetics of martensite reversion in stainless steels at different annealing temperatures. The input simulation data are acquired from different sources, such as CALPHAD, ab initio calculations, and experiments. The results show that the reversion occurs both at the lath boundaries as well as within the martensitic laths, which is in good agreement with the experimental observations. The reversion that occurs within the laths leads to splitting of a single martensite lath into two laths, separated by austenite. The results indicate that the reversed austenite retains a large extent of plasticity inherited from martensite.
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Acknowledgements
The authors would like to thank Dr. Minh Do Quang at KTH Royal Institute of Technology for his help with the femLego software. This work was supported by the U.S. Department of Energy.
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Appendix A
Appendix A
The input data for the simulations are:
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1.
The simulation domain is a single grain of austenite with a physical size of 1 μm.
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2.
A spherical martensite nucleus, with a radius of 0.1 μm, is considered to pre-exist in the center of the simulation domain.
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3.
Thermodynamic parameters corresponding to an Fe–17 %Cr–7 %Ni alloy, expressed in weight percent, are considered.
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4.
Martensite start temperature M s (=263 K) for the above alloy is acquired from experiments [54].
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5.
The corresponding driving force (=−3600 J/mol) at M s as well as the driving forces −870, −280, 0, +150, and +185 J/mol at different annealing temperatures, viz. 705, 830, 910, 975, and 1010 K, respectively, are calculated by using the Thermo-Calc software, which is based on the CALPHAD method, with the TCFE6 database [59].
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6.
The interface thickness, δ, is taken as 1 nm and the interfacial energy, γ, as 0.01 J/m2 [60].
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7.
Bain strains, \(\epsilon_1=0.1316 \) and \(\epsilon_3=-0.1998\), are calculated based on the experimentally measured lattice constants of austenite (a FCC = 3.5918 Å) and martensite (a BCC = 2.874 Å) [61], corresponding to an alloy with a similar composition as mentioned above.
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8.
The elastic constants for austenite (FCC) are acquired from experimental measurements [62] C 11 = 209 GPa, C 12 = 133 GPa and C 44 = 121 GPa.
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9.
The elastic constants for martensite (BCC) are acquired from ab-initio calculations [43] C 11 = 248 GPa, C 12 = 110 GPa, and C 44 = 120 GPa.
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10.
The yield limits considered for austenite and martensite are σ aust y = 500 MPa [63] and σ mart y = 800 MPa [64], respectively.
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11.
k in Eq. (10) is determined from the simulations such that the growth of martensite starts at the experimental M s temperature.
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12.
Iso-surfaces of the phase-field variable (η = 0.5) are shown in all the figures. The red-, blue-, and green-colored iso-surfaces of the phase-field variables correspond to martensitic variants-1, 2, and 3, respectively. t * indicates the dimensionless time.
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13.
As the experimental data related to the mobility of the martensitic interface are ambiguous, the matrix of kinetic parameters L pq in Eq. (1) that governs the mobility of the martensitic interface is considered to be the identity matrix. A non-identity matrix of the interface mobility data might lead to slightly anisotropic microstructure. The interface mobility could probably be calculated by molecular dynamics simulations.
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14.
The entire mathematical formulation, explained above, is solved by using tetrahedral finite elements and by using Dirichlet boundary conditions. Computations are performed on different meshes having grid points ranging from 50 × 50 × 50 up to 150 × 150 × 150 using FemLego software [65, 66]. The results remained unaffected even with a denser grid and hence all the simulations are performed on a 50 × 50 × 50 mesh.
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Yeddu, H.K., Lookman, T. & Saxena, A. Reverse phase transformation of martensite to austenite in stainless steels: a 3D phase-field study. J Mater Sci 49, 3642–3651 (2014). https://doi.org/10.1007/s10853-014-8067-9
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DOI: https://doi.org/10.1007/s10853-014-8067-9