The role of grain boundaries in the corrosion process of fe surface: insights from reaxff molecular dynamic simulations

HIGHLIGHTS

  • who: Zigen Xiao et al. from the College of Materials Science and Engineering, Hunan University, Changsha, China have published the Article: The Role of Grain Boundaries in the Corrosion Process of Fe Surface: Insights from ReaxFF Molecular Dynamic Simulations, in the Journal: Metals 2022, 876 of /2022/
  • what: __SECTION__ 5. Conclusions.

SUMMARY

    The dissolution rate of Fe atoms in the grain boundary region is much greater than the dissolution rate of crystal grains, leading to local corrosion. The Fe substrate comprises twelve atom layers in the polycrystalline simulation system, including 9215 . . .

     

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