Analytical calculations to extend the interaction energy map Sample Clauses

Analytical calculations to extend the interaction energy map. The analytical calculations of the interaction energy, outside the atomistically treated region, were performed following the elastic model described in [10] for edge dislocations and in [11] for screw dislocations. For the isotropic stress the new lattice constant (updated as described in the previous section) was used for the calculation of the magnitude of Burgers vector in the analytical formulas. For the shear stress, the modification of the analytical calculations was performed by means of introduction of the additionally applied shear strain components (ε12 and ε21, which are equal one to another and are listed in the Table 1) in the strain tensor of the dislocation.
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