Trends in fracture behavior of pre-cracked R12 graphene

HL Jin and YG Chen and H Chen and W Wang and ZJ Zhao and XD Xu and KX Li, PHYSICA B-CONDENSED MATTER, 715, 417587 (2025).

DOI: 10.1016/j.physb.2025.417587

A non-equilibrium molecular dynamics framework utilizing the AEBRO-M potential is applied to investigate the mechanical behavior of R12-graphene nanosheets with a central pre-existing crack under uniaxial loading. The study systematically evaluates elastic modulus, ultimate tensile stress, fracture strain, toughness, and stress intensity factor as functions of crack orientation (0 degrees-90 degrees), crack length (30-60 & Aring;), and temperature (200-1000 K). Results reveal strong anisotropy, with the Y-direction displaying heightened brittleness and accelerated property degradation as crack angle, size, or temperature increases. Crack orientation governs fracture mode: at 0 degrees in- plane sliding dominates, while at 90 degrees (Mode I opening), tensile crack propagation redistributes stress, reducing stiffness and strength by up to 40 %. Temperature critically modulates ductility-at 200 K, restricted atomic motion fosters localized microplasticity near the crack tip, paradoxically increasing fracture strain by similar to 5 % compared to pristine sheets, despite lower ultimate stress.

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