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 proceedingChapter

1 Citation (Scopus)

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 (Al) 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, Annual Meeting
PublisherWiley Blackwell
Pages753-758
Number of pages6
ISBN (Electronic)9781118663547
ISBN (Print)9781118605813
DOIs
StatePublished - Jan 1 2013

Fingerprint

Grain boundaries
Molecular dynamics
Bicrystals
Polycrystalline materials
Aluminum
Interfaces (computer)
Yield stress
Crack propagation
Computer simulation

Keywords

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

ASJC Scopus subject areas

  • Engineering(all)
  • Materials Science(all)

Cite this

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, Annual Meeting (pp. 753-758). Wiley Blackwell. https://doi.org/10.1002/9781118663547.ch93

Influence of grain boundary structure on interfacial fracture under tensile loading : Cohesive zone model informed by atomistic simulations. / Adlakha, I.; Solanki, Kiran; Tschopp, M. A.

TMS 2013 142nd Annual Meeting and Exhibition, Annual Meeting. Wiley Blackwell, 2013. p. 753-758.

Research output: Chapter in Book/Report/Conference proceedingChapter

Adlakha, I, Solanki, K & Tschopp, MA 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, Annual Meeting. Wiley Blackwell, pp. 753-758. https://doi.org/10.1002/9781118663547.ch93
Adlakha, I. ; Solanki, Kiran ; Tschopp, M. A. / Influence of grain boundary structure on interfacial fracture under tensile loading : Cohesive zone model informed by atomistic simulations. TMS 2013 142nd Annual Meeting and Exhibition, Annual Meeting. Wiley Blackwell, 2013. pp. 753-758
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