Influence of grain boundary structure on interfacial fracture under tensile loading: Cohesive zone model informed by atomistic simulations

I. Adlakha, Kiran Solanki, M. A. Tschopp

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Abstract

Grain boundary (GB) structure significantly contributes to the properties of polycrystalline materials. The objective of this work is to quantify the role of GB structure and energy on fracture behavior under tensile loading. Molecular dynamic (MD) calculations were performed for five aluminum (At) bicrystals with 〈100〉 symmetric tilt axes. The cohesive zone model (CZM) was used to analyze the fracture process. The simulation results indicate that the presence of certain GB structural units result in lower yield strengths and asymmetric crack growth behavior. The atomic traction-separation results suggest a strong correlation between cohesive energy of the interface and the GB energy. Finally, a framework is presented to characterize interfacial fracture of GBs through continuum interface separation constitutive laws that are informed from MD simulations.

Original languageEnglish (US)
Title of host publicationTMS 2013 - 142nd Annual Meeting and Exhibition, Supplemental Proceedings
Subtitle of host publicationLinking Science and Technology for Global Solutions
Pages753-758
Number of pages6
StatePublished - Apr 25 2013
Event142nd Annual Meeting and Exhibition: Linking Science and Technology for Global Solutions, TMS 2013 - San Antonio, TX, United States
Duration: Mar 3 2013Mar 7 2013

Publication series

NameTMS Annual Meeting

Other

Other142nd Annual Meeting and Exhibition: Linking Science and Technology for Global Solutions, TMS 2013
CountryUnited States
CitySan Antonio, TX
Period3/3/133/7/13

Keywords

  • Cohesive zone
  • Crack growth
  • Grain boundary
  • Interfacial fracture

ASJC Scopus subject areas

  • Condensed Matter Physics
  • Mechanics of Materials
  • Metals and Alloys

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    Adlakha, I., Solanki, K., & Tschopp, M. A. (2013). Influence of grain boundary structure on interfacial fracture under tensile loading: Cohesive zone model informed by atomistic simulations. In TMS 2013 - 142nd Annual Meeting and Exhibition, Supplemental Proceedings: Linking Science and Technology for Global Solutions (pp. 753-758). (TMS Annual Meeting).