Atomistic Simulation of Mixed Mode Fracture in Vitreous Silica
Published in ASME International Mechanical Engineering Congress and Exposition Proceedings, 2017
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Abstract: In this work, molecular dynamics simulations have been used to study the brittle fracture behaviour of vitreous silica in mixed mode loading at room temperature. An implementation of the BKS potential with the coulombic term was used along with Lennard-Jones modification to model initial cristobalite. Ewald summation was used to obtain long-range coulombic contribution to the total potential energy of the system. A recipe (Huff et. al., Journal of Non-Crystalline Solids, 253, 133–142, 1999) was used to obtain the vitreous silica using a combination of different molecular dynamics runs which were done initially as NVT ensemble and at the end as NPT ensemble. Uniaxial tensile tests for uncracked specimen was carried out to validate the microscopic and macroscopic properties with that in the literature. Further, slit center cracks of different orientations were introduced in the vitreous silica and subjected to mixed mode loading by moving the boundaries slowly. Studies of mechanical behaviour were made to derive the variation of fracture stress and stiffness with the mode-mixity in amorphous solids.
Recommended citation: Lahkar, S., Ghosal, S. and Singh, G., 2017, November. Atomistic simulation of mixed mode fracture in vitreous silica. In ASME International Mechanical Engineering Congress and Exposition (Vol. 58448, p. V009T12A042). American Society of Mechanical Engineers. https://doi.org/10.1115/imece2017-71321