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Journal of Materials Science

, Volume 53, Issue 8, pp 5684–5695 | Cite as

Uniaxial deformation of face-centered-cubic(Ni)-ordered B2(NiAl) bicrystals: atomistic mechanisms near a Kurdjumov–Sachs interface

  • D. Choudhuri
  • R. Banerjee
  • S. G. Srinivasan
Interface Behavior

Abstract

Creating tailored interfaces between soft and hard materials is a promising route to simultaneously enhance ductility and strength of multicomponent materials. Here, we study deformation mechanisms in a model bicrystal, with a Kurdjumov–Sachs (KS) interface, between face-centered-cubic Ni and ordered-B2 NiAl slabs using molecular dynamics simulations. The bicrystals were uniaxially deformed by strain rates of \(10^7\) and \(10^9\,\hbox {s}^{-1}\) by holding temperatures constant at 300, 500, 700, and 900 K for each strain rate. Our simulations reveal atomistic processes that create sessile and glissile dislocations, and their reactions during high-strain rate deformation. At \(10^9\,\hbox {s}^{-1}\) strain rates, dislocation processes enhance ductility and cause large-scale atomic rearrangements in the KS interfacial region. This subsequently causes nucleation, growth, and coalescence of nano-voids into cracks inside the harder B2-ordered phase bordering the interface. Our results suggest that interfaces between “soft”–“hard” materials likely withstand high-strain rates better.

Notes

Acknowledgements

LAMMPS computations used Talon3 cluster at UNT and Stampede cluster at TACC at the University of Texas at Austin.

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© Springer Science+Business Media, LLC, part of Springer Nature 2017

Authors and Affiliations

  1. 1.Department of Materials Science and Engineering, Advanced Materials and Manufacturing Processes InstituteUniversity of North TexasDentonUSA
  2. 2.Department of Materials Science and EngineeringUniversity of North TexasDentonUSA

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