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. 

Ali Sangghaleh

Postdoctoral Research Associate

Department of Materials Science and Engineering

Texas A&M University

alisang@tamu.edu

AIDA: A Tool for Exhaustive Enumeration of Solutions to the Quantized Frank-Bilby Equation Computational Materials Science, 145 (2018) 35-47. A. Sangghaleh and M.J. Demkowicz.

Researchers should cite this work as follows:

• AIDA: A Tool for Exhaustive Enumeration of Solutions to the Quantized Frank-Bilby Equation Computational Materials Science, 145 (2018) 35-47. A. Sangghaleh and M.J. Demkowicz.

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

  BibTex | EndNote

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