Elastic energy of a straight dislocation and contribution from core tractions

Abstract

We derive an expression of the core traction contribution to the dislocation elastic energy within linear anisotropic elasticity theory using the sextic formalism. With this contribution, the elastic energy is a state variable consistent with the work of the Peach-Koehler forces. This contribution needs also to be considered when extracting from atomic simulations core energies. The core energies thus obtained are real intrinsic dislocation properties: they do not depend on the presence and position of other defects. This is illustrated by calculating core energies of edge dislocation in bcc iron, where we show that dislocations gliding in {110} planes are more stable than those gliding in {112} planes.

References in corpus (3)

• Development of an interatomic potential for phosphorus impurities in iron
• Ab Initio Study of Screw Dislocations in Mo and Ta: A new picture of plasticity in bcc transition metals
• Dislocation Core Energies and Core Fields from First Principles

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• Dislocation core field. I. Modeling in anisotropic linear elasticity theory
• Ab Initio Models of Dislocations
• Computing energy barriers for rare events from hybrid quantum/classical simulations through the virtual work principle
• The influence of hydrogen core force shielding on dislocation junctions in iron