Dislocation impacts on iron/precipitate interfaces under shear loading

Astrid Elzas, Barend Thijsse

Research output: Contribution to journalArticleScientificpeer-review


Molecular dynamics simulations are performed to obtain a better understanding of the interactions of single dislocations and dislocation pile-ups with interfaces between iron and a precipitate. The material properties of the precipitate material and the iron-precipitate interaction are varied to understand the influence of interface structure, interface strength and precipitate stiffness on these interactions under shear loading. Our main findings are: (1) the interface adhesion is determined by a combination of the atomic interactions across the interface and the interface structure, (2) the interface structure is the key factor determining the dislocation accommodation capability of the interface: very strong semi-coherent interfaces do accommodate dislocations, while only very weak coherent interfaces are capable of doing this, and (3) a strong precipitate prevents slip transfer into the precipitate. Results of this study combined with those of a forthcoming study under tensile loading can be used to improve the description of interface decohesion in existing larger-scale models, such as discrete dislocation plasticity.

Original languageEnglish
Article number085006
Number of pages20
JournalModelling and Simulation in Materials Science and Engineering
Issue number8
Publication statusPublished - 2016


  • dislocations
  • Fe
  • interfaces
  • molecular dynamics simulations
  • precipitate

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