Header menu link for other important links
X
Theory and simulation of coupled grain boundary migration and grain rotation in low angle grain boundaries
Amol Vuppuluri,
Published in Taylor and Francis Ltd.
2017
Volume: 97
   
Issue: 35
Pages: 3325 - 3342
Abstract
Microstructure evolution due to coupled grain boundary migration and grain rotation in low angle grain boundaries is studied through a combination of molecular dynamics and phase field modeling. We have performed two dimensional molecular dynamics simulations on a bicrystal with a circular grain embedded in a larger grain. Both size and orientation of the embedded grain are observed to evolve with time. The shrinking embedded grain is observed to have two regimes: constant dislocation density on the grain boundary followed by constant rate of increase in dislocation density. Based on these observations from the molecular dynamics simulations, a theoretical formulation of the kinetics of coupled grain rotation is developed. The grain rotation rate is derived for the two regimes of constant dislocation density and constant rate of change of dislocation density on the grain boundary during evolution. The theoretical calculation of the grain rotation rate shows strong dependence on the grain size and compares very well with the molecular dynamics simulations. A multi-order parameter based phase field model with coupled grain rotation is developed using the theoretical formulation to model polycrystalline microstructure evolution. © 2017 Informa UK Limited, trading as Taylor & Francis Group.
About the journal
JournalData powered by TypesetPhilosophical Magazine
PublisherData powered by TypesetTaylor and Francis Ltd.
ISSN14786435
Open AccessNo
Concepts (14)
  •  related image
    BICRYSTALS
  •  related image
    Grain boundaries
  •  related image
    Microstructure
  •  related image
    Molecular dynamics
  •  related image
    Phase interfaces
  •  related image
    GRAIN BOUNDARY MIGRATIONS
  •  related image
    GRAIN ROTATION
  •  related image
    Low angle grain boundaries
  •  related image
    Micro-structure evolutions
  •  related image
    Molecular dynamics simulations
  •  related image
    Phase field models
  •  related image
    POLYCRYSTALLINE MICROSTRUCTURE
  •  related image
    TWO-DIMENSIONAL MOLECULAR DYNAMICS SIMULATIONS
  •  related image
    Rotation