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Experimental Investigation and Computer Simulation of Diffusion in Fe-Mo and Fe-Mn-Mo Alloys with Different Optimization Methods

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Abstract

In order to simulate the diffusional phase transformations involving the fcc and bcc phases for microalloyed steels, the diffusion mobilities for fcc and bcc Fe-Mo and Fe-Mn-Mo alloys were experimentally investigated and critically assessed. The diffusion-couple technique was employed to extract the interdiffusion coefficients in Fe-Mo and Fe-Mn-Mo alloys with the Sauer–Freise and Whittle–Green methods. Based on the present experimental interdiffsivities, the mobility parameters for the fcc and bcc phases in the Fe-Mo and Fe-Mn-Mo systems were optimized using the traditional method. Simultaneously, a direct method was developed and utilized to directly fit mobilities to the diffusion profiles rather than the diffusivities in the present work. The satisfactory description of the diffusion behavior in the Fe-Mo and Fe-Mn-Mo systems has confirmed the reliability of the direct method. Particularly, the two sets of diffusion mobilities obtained with both methods could simulate the diffusion phenomenon between the fcc and bcc phases in the Fe-Mo and Fe-Mn-Mo systems successfully.

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Acknowledgments

Financial support from the Chinese National Key Project of Science and Technology (Grant number: 2012ZX06004-012) is gratefully acknowledged. Weisen Zheng acknowledges the support from the National Natural Science Foundation of China (Grant number: 51401118) and the Chinese Scholarship Council (CSC). The authors would like to thank Dr. Yuwen Cui (IMDEA Materials Institute, Spain) for providing the program for the extraction of interdiffusion coefficients and Dr. Lars Höglund (KTH Royal Institute of Technology, Sweden) for valuable discussions on the direct method.

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Authors and Affiliations

  1. School of Materials Science and Engineering, Shanghai University, Shanghai, 200444, P.R. China

    Weisen Zheng (Ph.D.), Xiao-Gang Lu (Professor), Yanlin He (Professor) & Lin Li (Professor)

  2. Department of Materials Science and Engineering, KTH Royal Institute of Technology, Stockholm, 10044, Sweden

    Weisen Zheng (Ph.D.) & John Ågren (Professor)

  3. State Key Laboratory of Advanced Special Steel, Shanghai University, Shanghai, 200072, P.R. China

    Xiao-Gang Lu (Professor)

Authors
  1. Weisen Zheng
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  2. John Ågren
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  3. Xiao-Gang Lu
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  4. Yanlin He
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  5. Lin Li
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Corresponding author

Correspondence to Xiao-Gang Lu.

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Manuscript submitted April 04, 2016.

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Zheng, W., Ågren, J., Lu, XG. et al. Experimental Investigation and Computer Simulation of Diffusion in Fe-Mo and Fe-Mn-Mo Alloys with Different Optimization Methods. Metall Mater Trans A 48, 536–550 (2017). https://doi.org/10.1007/s11661-016-3822-y

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  • DOI: https://doi.org/10.1007/s11661-016-3822-y

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