Dislocation-Pairing Transitions in Hot Grain Boundaries

Olmsted, David L.; Buta, Dorel; Adland, Ari; Foiles, Stephen M.; Asta, Mark; Karma, Alain

doi:10.1103/physrevlett.106.046101

Dislocation-Pairing Transitions in Hot Grain Boundaries

Journal Article · Mon Jan 24 00:00:00 EST 2011 · Physical Review Letters

DOI:https://doi.org/10.1103/physrevlett.106.046101· OSTI ID:1906092

Olmsted, David L. ^[1]; Buta, Dorel ^[2]; Adland, Ari ^[3]; Foiles, Stephen M. ^[4]; Asta, Mark ^[5]; Karma, Alain ^[3]

Univ. of California, Berkeley, CA (United States); Northeastern University
Univ. of California, Davis, CA (United States)
Northeastern Univ., Boston, MA (United States)
Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
Univ. of California, Berkeley, CA (United States); Univ. of California, Davis, CA (United States); Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)

Here, we report the finding of a novel grain-boundary structural phase transition in both molecular-dynamics and phase-field-crystal simulations of classical models of bcc Fe. This transition is characterized by pairing of individual dislocations with mixed screw and edge components. We demonstrate that this type of transition is driven by a combination of factors including elastic softening, core interaction, and core disordering. At high homologous temperatures the occurrence of this transition is shown to prevent premelting at misorientation angles where it would otherwise be expected.

View Accepted Manuscript (DOE)

Research Organization:: Northeastern Univ., Boston, MA (United States)

Sponsoring Organization:: USDOE; USDOE National Nuclear Security Administration (NNSA); USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: AC02-05CH11231; FG02-06ER46282; FG02-07ER46400

OSTI ID:: 1906092

Alternate ID(s):: OSTI ID: 1101422

Journal Information:: Physical Review Letters, Journal Name: Physical Review Letters Journal Issue: 4 Vol. 106; ISSN 0031-9007

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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