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Phys. Rev. Lett. 78, 2148–2151 (1997)

Crack Front Propagation and Fracture in a Graphite Sheet: A Molecular-Dynamics Study on Parallel Computers

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Andrey Omeltchenko, Jin Yu, Rajiv K. Kalia, and Priya Vashishta
Concurrent Computing Laboratory for Materials Simulations, Department of Physics and Astronomy and Department of Computer Science, Louisiana State University, Baton Rouge, Louisiana 70803

Received 29 October 1996; published in the issue dated 17 March 1997

Crack propagation in a graphite sheet is investigated with million atom molecular-dynamics simulations based on Brenner's reactive empirical bond-order potential. For certain crystalline orientations, multiple crack branches with nearly equal spacing sprout as the crack tip reaches a critical speed of 0.6VR, where VR is the Rayleigh wave speed. This results in a fracture surface with secondary branches and overhangs. Within the same branch the crack-front profile is characterized by a roughness exponent, α = 0.41±0.05. However, for interbranch fracture surface profiles the return probability yields α = 0.71±0.10. Fracture toughness is estimated from Griffith analysis and local-stress distributions.

© 1997 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevLett.78.2148
DOI:
10.1103/PhysRevLett.78.2148
PACS:
62.20.Mk, 61.20.Ja, 61.43.Hv, 81.40.Np