Generalized stacking-fault energies for the basal plane of graphite are calculated from first principles for slip along two high-symmetry directions. The rhombohedral fault energy compares well with experiment and the anisotropy in behaviour is consistent with observed dislocation network geometry. Utilizing these calculated fault energies within a modified Peierls-Nabarro model, we estimate the barrier for basal dislocation motion based on lattice friction. This is found to be extremely small, from which we conclude that dislocation network interaction and pinning, rather than the Peierls barrier, must determine the practical shear strength of graphite. However, at low dislocation densities or over small crystalline regions, the shear stre...
International audiencePlasticity in hexagonal close-packed zirconium is controlled by screw dislocat...
Computer simulations have previously been used to derive the atomic scale properties of the cores of...
Due to their layered structure, graphene and transition-metal dichalcogenides (TMDs) are easily shea...
Generalized stacking-fault energies for the basal plane of graphite are calculated from first princi...
We investigate two mechanisms of crystallographic slip in graphene, corresponding to glide and shuff...
The dislocation widths and Peierls stresses of glide dislocations and shuffle dislocations in graphe...
© the authors, CC BY 4.0Supplementary files for article Modelling of partial basal dislocation dipol...
International audienceDislocations are a central concept in materials science, which dictate the pla...
Atomistic calculations are performed to investigate plastic slip in the {321} system in body-centred...
We calculate the generalised stacking fault (GSF) surface energies of MgO using an interatomic poten...
The major motivation of this study is the development of understanding of line defect behaviour such...
Since its monolayer exfoliation in 2004, graphene has been the focus of intense study revealing a mu...
Dislocation glide is an important contributor to the rheology of olivine under conditions of high st...
The thermodynamic and mechanical properties of graphitic systems are strongly dependent on the shear...
The critical resolved shear stress to transmit a screw dislocation through a non-slipping (welded) b...
International audiencePlasticity in hexagonal close-packed zirconium is controlled by screw dislocat...
Computer simulations have previously been used to derive the atomic scale properties of the cores of...
Due to their layered structure, graphene and transition-metal dichalcogenides (TMDs) are easily shea...
Generalized stacking-fault energies for the basal plane of graphite are calculated from first princi...
We investigate two mechanisms of crystallographic slip in graphene, corresponding to glide and shuff...
The dislocation widths and Peierls stresses of glide dislocations and shuffle dislocations in graphe...
© the authors, CC BY 4.0Supplementary files for article Modelling of partial basal dislocation dipol...
International audienceDislocations are a central concept in materials science, which dictate the pla...
Atomistic calculations are performed to investigate plastic slip in the {321} system in body-centred...
We calculate the generalised stacking fault (GSF) surface energies of MgO using an interatomic poten...
The major motivation of this study is the development of understanding of line defect behaviour such...
Since its monolayer exfoliation in 2004, graphene has been the focus of intense study revealing a mu...
Dislocation glide is an important contributor to the rheology of olivine under conditions of high st...
The thermodynamic and mechanical properties of graphitic systems are strongly dependent on the shear...
The critical resolved shear stress to transmit a screw dislocation through a non-slipping (welded) b...
International audiencePlasticity in hexagonal close-packed zirconium is controlled by screw dislocat...
Computer simulations have previously been used to derive the atomic scale properties of the cores of...
Due to their layered structure, graphene and transition-metal dichalcogenides (TMDs) are easily shea...