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- W3131993807 abstract "Abstract We use molecular dynamics (MD) simulations to study the stress corrosion cracking (SCC) of monolayer graphene sheets with an initial edge cracks. Two types of edge cracks are considered in the simulations; one with armchair edges and another one with zigzag edges. All the simulations are conducted at 300 K and the corrosive environment is O2 molecules. Tensile stresses are induced in the graphene sheet by applying mode–I loading. To understand the mechanism of the sub–critical crack growth during SCC, we expose the graphene sheets to O2 molecules at strains of 0.047 and 0.076. Our MD simulations capture the chemisorption process between the O2 molecules and pre–stressed graphene sheet. Oxygen molecules react with carbon radicals at the edges of the crack tip and gets adsorbed to the graphene surface. The atomic stresses in the vicinity of crack tip relaxes due to the adsorption of O2 molecule. Our results show that the reaction of O2 molecules with the carbon radicals at the crack tip can cause the failure of C–C bonds which leads to the sub critical cracking." @default.
- W3131993807 created "2021-03-01" @default.
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- W3131993807 date "2020-11-16" @default.
- W3131993807 modified "2023-09-26" @default.
- W3131993807 title "Stress Corrosion Cracking of Graphene" @default.
- W3131993807 doi "https://doi.org/10.1115/imece2020-23842" @default.
- W3131993807 hasPublicationYear "2020" @default.
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