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"Conjugate channeling" effect in dislocation core diffusion: carbon transport in dislocated BCC iron.

ABSTRACT: Dislocation pipe diffusion seems to be a well-established phenomenon. Here we demonstrate an unexpected effect, that the migration of interstitials such as carbon in iron may be accelerated not in the dislocation line direction ξ, but in a conjugate diffusion direction. This accelerated random walk arises from a simple crystallographic channeling effect. c is a function of the Burgers vector b, but not ξ, thus a dislocation loop possesses the same everywhere. Using molecular dynamics and accelerated dynamics simulations, we further show that such dislocation-core-coupled carbon diffusion in iron has temperature-dependent activation enthalpy like a fragile glass. The 71° mixed dislocation is the only case in which we see straightforward pipe diffusion that does not depend on dislocation mobility.

SUBMITTER: Ishii A

PROVIDER: S-EPMC3623912 | biostudies-literature | 2013

REPOSITORIES: biostudies-literature

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"Conjugate channeling" effect in dislocation core diffusion: carbon transport in dislocated BCC iron.

Ishii Akio A Li Ju J Ogata Shigenobu S

PloS one 20130411 4

Dislocation pipe diffusion seems to be a well-established phenomenon. Here we demonstrate an unexpected effect, that the migration of interstitials such as carbon in iron may be accelerated not in the dislocation line direction ξ, but in a conjugate diffusion direction. This accelerated random walk arises from a simple crystallographic channeling effect. c is a function of the Burgers vector b, but not ξ, thus a dislocation loop possesses the same everywhere. Using molecular dynamics and acceler ...[more]

PMID: 23593255

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