Variability of non-Schmid effects in grain boundary dislocation nucleation criteria

Wyman, Ricky D.; Fullwood, David T.; Wagoner, Robert H.; Homer, Eric R.

doi:10.1016/j.actamat.2016.11.005

Title: Variability of non-Schmid effects in grain boundary dislocation nucleation criteria

Abstract

Grain boundary dislocation nucleation is simulated in a Nickel bicrystal with Σ21b (211)/(211) grain boundaries. Using molecular dynamics, 386 different triaxial stress states are examined for their effect on dislocation nucleation on different slip systems. The approach leads to dislocation nucleation on six of the twelve partial slip systems, enabling a study of conditions leading to nucleation. The criteria for nucleation on each of the slip systems is shown to have a linear dependence on the resolved shear, normal, and co-slip stresses, though the constants for this linear dependence are unique for each slip system. The combined nucleation criteria are used to construct a theoretical nucleation surface. The surface is reminiscent of a Mohr-Coulomb yield surface, except that in the present case the facets of the surface correspond to nucleation on different slip systems.

Authors:

Wyman, Ricky D. ^[1]; Fullwood, David T. ^[1]; Wagoner, Robert H. ^[2]; Homer, Eric R. ^[1]

Brigham Young Univ., Provo, UT (United States). Dept. of Mechanical Engineering
The Ohio State Univ., Columbus, OH (United States). Dept. of Materials Science and Engineering

Publication Date:: Thu Nov 24 00:00:00 EST 2016

Research Org.:: Brigham Young Univ., Provo, UT (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

OSTI Identifier:: 1533460

Alternate Identifier(s):: OSTI ID: 1419148

Grant/Contract Number:: SC0012587

Resource Type:: Accepted Manuscript

Journal Name:: Acta Materialia

Additional Journal Information:: Journal Volume: 124; Journal ID: ISSN 1359-6454

Publisher:: Elsevier

Country of Publication:: United States

Language:: English

Subject:: 36 MATERIALS SCIENCE; grain boundaries; dislocation nucleation; molecular dynamics

Citation Formats


                    Wyman, Ricky D., Fullwood, David T., Wagoner, Robert H., and Homer, Eric R. Variability of non-Schmid effects in grain boundary dislocation nucleation criteria.  United States: N. p., 2016. 
Web.  doi:10.1016/j.actamat.2016.11.005.

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                    Wyman, Ricky D., Fullwood, David T., Wagoner, Robert H., & Homer, Eric R. Variability of non-Schmid effects in grain boundary dislocation nucleation criteria.  United States.  https://doi.org/10.1016/j.actamat.2016.11.005

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                    Wyman, Ricky D., Fullwood, David T., Wagoner, Robert H., and Homer, Eric R. Thu .  
"Variability of non-Schmid effects in grain boundary dislocation nucleation criteria".  United States.  https://doi.org/10.1016/j.actamat.2016.11.005.  https://www.osti.gov/servlets/purl/1533460.

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@article{osti_1533460,

  title        = {Variability of non-Schmid effects in grain boundary dislocation nucleation criteria},

  author       = {Wyman, Ricky D. and Fullwood, David T. and Wagoner, Robert H. and Homer, Eric R.},

  abstractNote = {Grain boundary dislocation nucleation is simulated in a Nickel bicrystal with Σ21b (211)/(211) grain boundaries. Using molecular dynamics, 386 different triaxial stress states are examined for their effect on dislocation nucleation on different slip systems. The approach leads to dislocation nucleation on six of the twelve partial slip systems, enabling a study of conditions leading to nucleation. The criteria for nucleation on each of the slip systems is shown to have a linear dependence on the resolved shear, normal, and co-slip stresses, though the constants for this linear dependence are unique for each slip system. The combined nucleation criteria are used to construct a theoretical nucleation surface. The surface is reminiscent of a Mohr-Coulomb yield surface, except that in the present case the facets of the surface correspond to nucleation on different slip systems.},

  doi          = {10.1016/j.actamat.2016.11.005},

  journal      = {Acta Materialia},

  number       = ,

  volume       = 124,

  place        = {United States},

  year         = {Thu Nov 24 00:00:00 EST 2016},

  month        = {Thu Nov 24 00:00:00 EST 2016}

}

Copy to clipboard

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https://doi.org/10.1016/j.actamat.2016.11.005

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Works referencing / citing this record:

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Title: Variability of non-Schmid effects in grain boundary dislocation nucleation criteria

Abstract

Citation Formats

Survey of computed grain boundary properties in face-centered cubic metals—II: Grain boundary mobility journal, August 2009

Non-equilibrium grain boundary structure and inelastic deformation using atomistic simulations journal, June 2011

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Grain Boundary Structure Dependence of Extrinsic Grain Boundary Dislocation Emission Phenomena: A Molecular Dynamics Study journal, January 2012

Nucleation of dislocations from [001] bicrystal interfaces in aluminum journal, August 2005

Atomistic simulations of homogeneous dislocation nucleation in single crystal copper journal, September 2007

Modelling with variable atomic structure: Dislocation nucleation from symmetric tilt grain boundaries in aluminium journal, April 2015

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Stacking fault emission from grain boundaries: Material dependencies and grain size effects journal, April 2014

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Duality of dislocation content of grain boundaries journal, September 2006

Advances in strength theories for materials under complex stress state in the 20th Century journal, May 2002

Mapping dislocation nucleation behavior from bimetal interfaces journal, November 2013

Implementing molecular dynamics on hybrid high performance computers—Three-body potentials journal, December 2013

Energy of slip transmission and nucleation at grain boundaries journal, January 2011

Strength asymmetry in nanocrystalline metals under multiaxial loading journal, June 2005

Crystal orientation effect on dislocation nucleation and multiplication in FCC single crystal under uniaxial loading journal, January 2014

Deformation of nanocrystalline materials by molecular-dynamics simulation: relationship to experiments? journal, January 2005

Fast Parallel Algorithms for Short-Range Molecular Dynamics journal, March 1995

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Influence of single crystal orientation on homogeneous dislocation nucleation under uniaxial loading journal, May 2008

Surface Step Effects on Nanoindentation journal, October 2001

POLYCRYSTALLINE MATERIALS: Grain Boundaries and Dislocations journal, April 2002

Ideal Pure Shear Strength of Aluminum and Copper journal, October 2002

Visualization and analysis of atomistic simulation data with OVITO–the Open Visualization Tool journal, December 2009

Dislocation nucleation from bicrystal interfaces and grain boundary ledges: Relationship to nanocrystalline deformation journal, November 2007

Canonical dynamics: Equilibrium phase-space distributions journal, March 1985

Systematic analysis of local atomic structure combined with 3D computer graphics journal, March 1994

Activation energy for nucleation of partial dislocation from grain boundaries journal, September 2012

Structural stability and lattice defects in copper: Ab initio , tight-binding, and embedded-atom calculations journal, May 2001

Dislocation nucleation from bicrystal interfaces with dissociated structure journal, January 2007

Anatomy of nanomaterial deformation: Grain boundary sliding, plasticity and cavitation in nanocrystalline Ni journal, September 2013

Survey of computed grain boundary properties in face-centered cubic metals: I. Grain boundary energy journal, August 2009

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Computation of grain boundary stiffness and mobility from boundary fluctuations journal, July 2006

Transition of creep mechanism in nanocrystalline metals journal, December 2011

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Mechanical properties of stabilized nanocrystalline FCC metals journal, September 2019

Survey of computed grain boundary properties in face-centered cubic metals—II: Grain boundary mobility
journal, August 2009

Non-equilibrium grain boundary structure and inelastic deformation using atomistic simulations
journal, June 2011

Implementing molecular dynamics on hybrid high performance computers – Particle–particle particle-mesh
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Grain Boundary Structure Dependence of Extrinsic Grain Boundary Dislocation Emission Phenomena: A Molecular Dynamics Study
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Nucleation of dislocations from [001] bicrystal interfaces in aluminum
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Atomistic simulations of homogeneous dislocation nucleation in single crystal copper
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Modelling with variable atomic structure: Dislocation nucleation from symmetric tilt grain boundaries in aluminium
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Implementing molecular dynamics on hybrid high performance computers – short range forces
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Stacking fault emission from grain boundaries: Material dependencies and grain size effects
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General formulation of pressure and stress tensor for arbitrary many-body interaction potentials under periodic boundary conditions
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Duality of dislocation content of grain boundaries
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Advances in strength theories for materials under complex stress state in the 20th Century
journal, May 2002

Mapping dislocation nucleation behavior from bimetal interfaces
journal, November 2013

Implementing molecular dynamics on hybrid high performance computers—Three-body potentials
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Energy of slip transmission and nucleation at grain boundaries
journal, January 2011

Strength asymmetry in nanocrystalline metals under multiaxial loading
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Crystal orientation effect on dislocation nucleation and multiplication in FCC single crystal under uniaxial loading
journal, January 2014

Deformation of nanocrystalline materials by molecular-dynamics simulation: relationship to experiments?
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Fast Parallel Algorithms for Short-Range Molecular Dynamics
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journal, January 2007

Influence of single crystal orientation on homogeneous dislocation nucleation under uniaxial loading
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POLYCRYSTALLINE MATERIALS: Grain Boundaries and Dislocations
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Dislocation nucleation from bicrystal interfaces and grain boundary ledges: Relationship to nanocrystalline deformation
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Anatomy of nanomaterial deformation: Grain boundary sliding, plasticity and cavitation in nanocrystalline Ni
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journal, July 2006

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