The effect of the misfit dislocation on the in-plane shear response of the ferrite/cementite interface

Jaemin Kim, Hadi Ghaffarian, Seunghwa Ryu, Keonwook Kang

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7 Citations (Scopus)


Although the pearlitic steel is one of the most extensively studied materials, there are still questions unanswered about the interface in the lamellar structure. In particular, to deepen the understanding of the mechanical behavior of pearlitic steel with fine lamellar structure, it is essential to reveal the structure-property relationship of the ferrite/cementite interface. In this study, we analyzed the in-plane shear deformation of the ferrite/cementite interface using atomistic simulation combined with extended atomically informed Frank-Bilby method and disregistry analyses. In the atomistic simulation, we applied in-plane shear stress along twelve different directions to the ferrite/cementite bilayer for Isaichev, Near Bagaryatsky and Near Pitsch-Petch orientation relationship, respectively. The simulation results reveal that Isaichev and Near Bagaryatsky orientations show dislocation-mediated plasticity except two directions, while Near Pitsch-Petch orientation shows mode II (in-plane shear) fracture at the ferrite/cementite interface along all directions. Based on the extended atomically informed Frank-Bilby and disregistry analysis results, we conclude that the in-plane shear behavior of the ferrite/cementite interface is governed by the magnitude of Burgers vector and core-width of misfit dislocations.

Original languageEnglish
Article number109375
JournalComputational Materials Science
Publication statusPublished - 2020 Feb 15

Bibliographical note

Funding Information:
This research was supported by Basic Science Research Program (2019R1A2C4070690 and 2016R1C1B2016484) through the National Research Foundation of Korea (NRF) funded by the Ministry of Science, ICT & Future Planning . Data Availability. The raw/processed data required to reproduce these findings cannot be shared at this time as the data also forms part of an ongoing study. Data will be available on request Appendix A

Publisher Copyright:
© 2019

All Science Journal Classification (ASJC) codes

  • Computer Science(all)
  • Chemistry(all)
  • Materials Science(all)
  • Mechanics of Materials
  • Physics and Astronomy(all)
  • Computational Mathematics


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