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Dislocation assisted crack healing in h-BN nanosheets
Rajesh Kumar1, Avinash Parashar
1Department of Mechanical and Industrial Engineering, Indian Institute of Technology, Roorkee - 247667, India. rajeshpawar4u@gmail.com drap1fme@iitr.ac.in.
Physical Chemistry Chemical Physics : PCCP
|August 8, 2017
Summary
Hexagonal boron nitride (h-BN) nanosheets with dislocations show significantly improved fracture toughness. These defects enhance material properties, benefiting nanodevices and composites.
Area of Science:
- Materials Science
- Nanotechnology
- Solid Mechanics
Background:
- Large hexagonal boron nitride (h-BN) nanosheets are typically polycrystalline, featuring various grain boundaries.
- Low-angle grain boundaries in h-BN are often described as dislocations, which can influence material properties through interactions with other defects.
Purpose of the Study:
- To investigate the impact of 5|7 dislocations on the mode-I fracture toughness of h-BN nanosheets.
- To understand how the presence and configuration of dislocations affect the mechanical behavior of h-BN.
Main Methods:
- Atomistic simulations using molecular dynamics.
- Modeling h-BN nanosheets with centrally embedded cracks and varying dislocation geometries.
Main Results:
- Fracture toughness of h-BN nanosheets improved by 11% to 74% in the presence of dislocations.
- Observed enhancement attributed to the synergistic interaction between dislocation stress fields and crack stress fields.
Conclusions:
- Dislocations significantly enhance the fracture toughness of h-BN nanosheets.
- Findings support the use of h-BN in advanced applications like graphene-based nanodevices and nanocomposite fillers.
- This research provides valuable insights for the technological development of h-BN materials.

