Journal of Materials Science

, Volume 53, Issue 23, pp 15952–15968 | Cite as

Greater diffusion rate of carbon atoms from nonlinear migration in micro-cell and spatially heterogeneous stable states in FCC iron

  • Jian Wang
  • Qing TaoEmail author
  • Liming Fu
  • Wei Lai
  • Chengjin Shen
  • Zhi Sun
  • Aidang Shan


The nonlinear migration of C atom between nearest interstitial sites in fcc iron has been studied in the paper. It reveals an optimum migration pathway in the preferred crowdion direction in its infancy; the pathway is finally along the tetrahedral direction. This nonlinear tendency can be intensified by a repulsive force from another near neighbor C atom in the crowdion direction. We introduce an interaction model based on Coulomb’s force, which indicates that this nonlinear migration mechanism is a foregone conclusion with a certain atomic geometric configuration. However, for a multiple-C system, we find that there exists a typical preferred orientation, which is a continuously stable structure maintained by the C atoms migrating in the crowdion direction. The first neighbor migrated structure is the main formation as a result of this preferential orientation. Based on this, we derive a novel diffusion equation by introducing a proportionality coefficient \( K_{\rho } \), which can be closely related to the C structures absorbed on the surface during carburization. The diffusion coefficient will increase dramatically with a small perturbation of \( K_{\rho } \). Moreover, a spatially heterogeneous occupation is introduced on a much larger scale. The results not only show that it is a relatively stable state but that the C diffusion coefficient is significantly larger than that of the other disorder-free C states. Meanwhile, it provides a repulsive force for nonlinear migration in the micro-cell. As a result, a greater diffusion rate will be achieved from both spatial heterogeneity and the nonlinear migration of C atoms.



This research is financially supported by the National Natural Science Foundation of China (No. 51641109), the Fundamental Research Funds for the Central Universities (No. 2017XKZD08).


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Copyright information

© Springer Science+Business Media, LLC, part of Springer Nature 2018

Authors and Affiliations

  • Jian Wang
    • 1
  • Qing Tao
    • 1
    Email author
  • Liming Fu
    • 2
  • Wei Lai
    • 1
  • Chengjin Shen
    • 1
  • Zhi Sun
    • 1
  • Aidang Shan
    • 2
  1. 1.School of Materials Science and EngineeringChina University of Mining and TechnologyXuzhouChina
  2. 2.School of Materials Science and EngineeringShanghai Jiao Tong UniversityShanghaiChina

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