AIDA: A tool for exhaustive enumeration of solutions to the quantized Frank-Bilby equation

By Ali Sangghaleh1, Michael J. Demkowicz1

1. Texas A&M University

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Abstract

We present a tool called Arrangement of Interface Dislocation Arrays (AIDA) for enumerating all dislocation networks that satisfy the quantized Frank-Bilby equation for any interface between cubic crystals with a single-atom basis, i.e. FCC/FCC, BCC/BCC, and FCC/BCC interfaces. The set of enumerated solutions is exhaustive in the sense that AIDA accounts for all independent combinations of symmetry operations of the neighboring crystals and it scans over combinations of Burgers vectors drawn from a predefined set of admissible vectors for each crystal. This tool may be used to deduce the range of dislocation-based representations of an interface given its crystallographic character and a predefined set of admissible Burgers vectors. It may also be used in conjunction with electron microscopy or atomistic modeling for the identification and analysis of interface defect structures. 

Bio

Ali Sangghaleh

Postdoctoral Research Associate

Department of Materials Science and Engineering

Texas A&M University

alisang@tamu.edu

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Cite this work

Researchers should cite this work as follows:

  • Ali Sangghaleh; Michael J. Demkowicz (2018), "AIDA: A tool for exhaustive enumeration of solutions to the quantized Frank-Bilby equation," http://nanohub.org/resources/27753.

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Tags

  1. Cubic lattice
  2. interface
  3. Frank_Bilby equation
  4. O-lattice
  5. Crystal Structure
  6. computational materials science
  7. symmetry
  8. dislocations
  9. tools
  10. visualization
  11. Matlab
  12. materials