〈110〉 symmetric tilt grain-boundary structures in fcc metals with low stacking-fault energies

J. Rittner, David N Seidman

Research output: Contribution to journalArticle

253 Citations (Scopus)

Abstract

Twenty-one 〈110〉 symmetric tilt grain boundaries (GB’s) are investigated with atomistic simulations, using an embedded-atom method (EAM) potential for a low stacking-fault energy fcc metal. Lattice statics simulations with a large number of initial configurations are used to identify both the equilibrium and metastable structures at 0 K. The level of difficulty in finding the equilibrium structures is quantitatively assessed. The stability of the structures at an elevated temperature is investigated by Monte Carlo annealing. A form of GB dissociation is identified in a number of the boundaries. These structures are used to develop a dislocation model of GB dissociation by stacking-fault emission. Also, an attempt is made to apply the structural unit model (SUM) to the simulated boundaries and problems that are encountered for GB structures in low stacking-fault energy metals are enumerated and discussed.

Original languageEnglish (US)
Pages (from-to)6999-7015
Number of pages17
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume54
Issue number10
DOIs
StatePublished - Jan 1 1996

Fingerprint

stacking fault energy
Stacking faults
Grain boundaries
grain boundaries
Metals
metals
dissociation
embedded atom method
Dislocations (crystals)
Crystal lattices
crystal defects
simulation
Annealing
Atoms
annealing
configurations
Temperature
temperature

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

Cite this

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abstract = "Twenty-one 〈110〉 symmetric tilt grain boundaries (GB’s) are investigated with atomistic simulations, using an embedded-atom method (EAM) potential for a low stacking-fault energy fcc metal. Lattice statics simulations with a large number of initial configurations are used to identify both the equilibrium and metastable structures at 0 K. The level of difficulty in finding the equilibrium structures is quantitatively assessed. The stability of the structures at an elevated temperature is investigated by Monte Carlo annealing. A form of GB dissociation is identified in a number of the boundaries. These structures are used to develop a dislocation model of GB dissociation by stacking-fault emission. Also, an attempt is made to apply the structural unit model (SUM) to the simulated boundaries and problems that are encountered for GB structures in low stacking-fault energy metals are enumerated and discussed.",
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〈110〉 symmetric tilt grain-boundary structures in fcc metals with low stacking-fault energies. / Rittner, J.; Seidman, David N.

In: Physical Review B - Condensed Matter and Materials Physics, Vol. 54, No. 10, 01.01.1996, p. 6999-7015.

Research output: Contribution to journalArticle

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