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PLoS One. 2013 Apr 11;8(4):e60586. doi: 10.1371/journal.pone.0060586. Print 2013.

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

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  • 1Akio Ishii Department of Mechanical Science and Bioengineering, Osaka University, Osaka, Japan. akio.ishii@tsme.me.es.osaka-u.ac.jp

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.

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