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Toward a 3D coupled atomistic and discrete dislocation dynamics simulation: dislocation core structures and Peierls stresses with several character angles in FCC aluminum

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Figure

Fig. 1 Dislocation in the vicinity of the interface: the nonlinear core region (schematically represented by thegray area) interacts with the continuum across the interface
Fig. 2 Schematic of dislocation core in the pad. For most of the pad, the liner elastic DDD displacementsolution is adequate, in the vicinity of the dislocation line, however, adding the core template �u⃗˜c is requiredto minimize spurious forces
Fig. 3 (θa) Schematic modeling of a straight dislocation with arbitrary character angle
Table 1 Selected eight angles, lattice coordinates, number of replicas and atoms of each simulationbox
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