About this Abstract |
Meeting |
2023 TMS Annual Meeting & Exhibition
|
Symposium
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Deformation Mechanisms, Microstructure Evolution, and Mechanical Properties of Nanoscale Materials
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Presentation Title |
Dislocation Formation and Evolution in Moiré Reconstructed Twisted Bilayer Graphene |
Author(s) |
Shoieb Ahmed Chowdhury, Aditya Dey, Hesam Askari |
On-Site Speaker (Planned) |
Shoieb Ahmed Chowdhury |
Abstract Scope |
Controlling the relative rotation between two layers in a 2D material, namely "Twisted Bilayer", has resulted in many exciting properties. Within the Moiré patterns created in a twisted bilayer, the interlayer stacking of atoms show spatial variations and form different combinations depending on twist angle. We study the evolution of local stackings in twisted bilayer graphene (TBG) under heterostrain using atomistic simulations. To understand the associated mechanics, we present an inter-layer dislocations-based analysis. The variation in stackings within the Moiré pattern is described by dislocation arrays from the initial commensurate structure. Away from the centers of hexagonal Moiré patterns, regions with partial dislocations exist belonging to intermediate SP stackings, whose characteristic width is described by the width of these partials. Triangular domains of 'AB/BA' stacked regions are separated by partial dislocations summing to full dislocations. Our framework resolves Moiré reconstruction in large angle TBG. |
Proceedings Inclusion? |
Planned: |
Keywords |
Thin Films and Interfaces, Computational Materials Science & Engineering, Modeling and Simulation |