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Title: Defect character at grain boundary facet junctions: Analysis of an asymmetric Σ = 5 grain boundary in Fe

Grain boundaries often develop faceted morphologies in systems for which the interfacial free energy depends on the boundary inclination. Although the mesoscale thermodynamic basis for such morphological evolution has been extensively studied, the influence of line defects, such as secondary grain boundary dislocations, on the facet configurations has not been thoroughly explored. In this paper, through a combination of atomistic simulations and electron microscopic observations, we examine in detail the structure of an asymmetric Σ = 5 [001] grain boundary in well-annealed, body-centered cubic (BCC) Fe. The observed boundary forms with a hill-and-valley morphology composed of nanoscale {310} and {210} facets. Our analysis clarifies the atomic structure of the {310}/{210} facet junctions and identifies the presence of an array of secondary grain boundary dislocations that are localized to these junctions. Analysis of the Burgers vectors of the grain boundary dislocations, which are of type (1/5)<310> and (1/5)<120>, shows that the defect density is consistent with that required to accommodate a small observed angular deviation from the exact Σ = 5 orientation relationship. As a result, these observations and analysis suggest a crucial role for secondary grain boundary dislocations in dictating the length-scale of grain boundary facets, a consideration which hasmore » not been included in prior analyses of facet evolution and equilibrium facet length.« less
 [1] ;  [2] ;  [1] ;  [2] ;  [2]
  1. Sandia National Lab. (SNL-CA), Livermore, CA (United States)
  2. Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
Publication Date:
Report Number(s):
Journal ID: ISSN 1359-6454; PII: S1359645416308758; TRN: US1601876
Grant/Contract Number:
Published Article
Journal Name:
Acta Materialia
Additional Journal Information:
Journal Volume: 124; Journal Issue: C; Journal ID: ISSN 1359-6454
Research Org:
Sandia National Lab. (SNL-CA), Livermore, CA (United States)
Sponsoring Org:
USDOE National Nuclear Security Administration (NNSA)
Country of Publication:
United States
36 MATERIALS SCIENCE; grain-boundaries; dislocations; faceting; electron microscopy; atomistic modeling
OSTI Identifier:
Alternate Identifier(s):
OSTI ID: 1333718