Atomic-scale dynamics of edge dislocations in Ni and concentrated solid solution NiFe alloys

Zhao, Shijun; Osetsky, Yuri N.; Zhang, Yanwen

doi:10.1016/j.jallcom.2017.01.165

Title: Atomic-scale dynamics of edge dislocations in Ni and concentrated solid solution NiFe alloys

Abstract

Single-phase concentrated solid solution alloys (CSAs), including high entropy alloys, exhibit excellent mechanical properties compared to conventional dilute alloys. However, the origin of this observation is not clear yet because the dislocation properties in CSAs are poorly understood. In this work, the mobility of a <110>{111} edge dislocation in pure Ni and equiatomic solid solution Ni_0.5Fe_0.5 (NiFe) is studied using molecular dynamics simulations with different empirical potentials. The threshold stress to initiate dislocation movement in NiFe is found to be much higher compared to pure Ni. The drag coefficient of the dislocation motion calculated from the linear regime of dislocation velocities versus applied stress suggests that the movement of dislocations in NiFe is strongly damped compared to that in Ni. The present results indicate that the mobility of edge dislocations in fcc CSAs are controlled by the fluctuations in local stacking fault energy caused by the local variation of alloy composition.

Authors:

Zhao, Shijun ^[1]; Osetsky, Yuri N. ^[1]; Zhang, Yanwen ^[1]; Univ. of Tennessee, Knoxville, TN ^[2]

Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
(United States)

Publication Date:: Thu Jan 19 00:00:00 EST 2017

Research Org.:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)

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

OSTI Identifier:: 1361346

Alternate Identifier(s):: OSTI ID: 1417114

Grant/Contract Number:: AC05-00OR22725

Resource Type:: Accepted Manuscript

Journal Name:: Journal of Alloys and Compounds

Additional Journal Information:: Journal Volume: 701; Journal Issue: C; Journal ID: ISSN 0925-8388

Publisher:: Elsevier

Country of Publication:: United States

Language:: English

Subject:: 36 MATERIALS SCIENCE; concentrated solid solution alloys; Edge dislocation; dislocation velocity; NiFe alloys; molecular dynamics simulations

Citation Formats


                    Zhao, Shijun, Osetsky, Yuri N., Zhang, Yanwen, and Univ. of Tennessee, Knoxville, TN. Atomic-scale dynamics of edge dislocations in Ni and concentrated solid solution NiFe alloys.  United States: N. p., 2017. 
Web.  doi:10.1016/j.jallcom.2017.01.165.

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                    Zhao, Shijun, Osetsky, Yuri N., Zhang, Yanwen, & Univ. of Tennessee, Knoxville, TN. Atomic-scale dynamics of edge dislocations in Ni and concentrated solid solution NiFe alloys.  United States.  https://doi.org/10.1016/j.jallcom.2017.01.165

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                    Zhao, Shijun, Osetsky, Yuri N., Zhang, Yanwen, and Univ. of Tennessee, Knoxville, TN. Thu .  
"Atomic-scale dynamics of edge dislocations in Ni and concentrated solid solution NiFe alloys".  United States.  https://doi.org/10.1016/j.jallcom.2017.01.165.  https://www.osti.gov/servlets/purl/1361346.

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@article{osti_1361346,

  title        = {Atomic-scale dynamics of edge dislocations in Ni and concentrated solid solution NiFe alloys},

  author       = {Zhao, Shijun and Osetsky, Yuri N. and Zhang, Yanwen and Univ. of Tennessee, Knoxville, TN},

  abstractNote = {Single-phase concentrated solid solution alloys (CSAs), including high entropy alloys, exhibit excellent mechanical properties compared to conventional dilute alloys. However, the origin of this observation is not clear yet because the dislocation properties in CSAs are poorly understood. In this work, the mobility of a <110>{111} edge dislocation in pure Ni and equiatomic solid solution Ni0.5Fe0.5 (NiFe) is studied using molecular dynamics simulations with different empirical potentials. The threshold stress to initiate dislocation movement in NiFe is found to be much higher compared to pure Ni. The drag coefficient of the dislocation motion calculated from the linear regime of dislocation velocities versus applied stress suggests that the movement of dislocations in NiFe is strongly damped compared to that in Ni. The present results indicate that the mobility of edge dislocations in fcc CSAs are controlled by the fluctuations in local stacking fault energy caused by the local variation of alloy composition.},

  doi          = {10.1016/j.jallcom.2017.01.165},

  journal      = {Journal of Alloys and Compounds},

  number       = C,

  volume       = 701,

  place        = {United States},

  year         = {Thu Jan 19 00:00:00 EST 2017},

  month        = {Thu Jan 19 00:00:00 EST 2017}

}

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Works referencing / citing this record:

Unique Challenges for Modeling Defect Dynamics in Concentrated Solid-Solution Alloys
journal, July 2017

Zhao, Shijun; Weber, William J.; Zhang, Yanwen
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Irradiation responses and defect behavior of single-phase concentrated solid solution alloys
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Local-environment dependence of stacking fault energies in concentrated solid-solution alloys
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Atomistic simulation of defect-dislocation interactions in concentrated solid-solution alloys
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Zhao, Shijun; Osetsky, Yuri; Zhang, Yanwen
Physical Review Materials, Vol. 3, Issue 10
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Density functional theory calculations of generalized stacking fault energy surfaces for eight face-centered cubic transition metals
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Su, Yanqing; Xu, Shuozhi; Beyerlein, Irene J.
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Title: Atomic-scale dynamics of edge dislocations in Ni and concentrated solid solution NiFe alloys

Abstract

Citation Formats

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

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Dislocation Theory of Yielding and Strain Ageing of Iron
journal, January 1949

The flow stress of iron and its dependence on impurities
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Mechanism of Radiation Damage Reduction in Equiatomic Multicomponent Single Phase Alloys
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Influence of chemical disorder on energy dissipation and defect evolution in advanced alloys
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Differences in the accumulation of ion-beam damage in Ni and NiFe explained by atomistic simulations
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Atomic-scale characterization and modeling of 60° dislocations in a high-entropy alloy
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An atomic-level model for studying the dynamics of edge dislocations in metals
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Fast Parallel Algorithms for Short-Range Molecular Dynamics
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Interatomic potential for studying ageing under irradiation in stainless steels: the FeNiCr model alloy
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Interatomic potential to study plasticity in stainless steels: the FeNiCr model alloy
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Edge dislocation mobilities in bcc Fe obtained by molecular dynamics
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Activation enthalpy for kink-pair nucleation on dislocations: Comparison between static and dynamic atomic-scale simulations
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Dislocation pinning by glissile interstitial loops in a nickel crystal: A molecular-dynamics study
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Molecular dynamics with coupling to an external bath
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Automated identification and indexing of dislocations in crystal interfaces
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Visualization and analysis of atomistic simulation data with OVITO–the Open Visualization Tool
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Lattice resistance and Peierls stress in finite size atomistic dislocation simulations
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Phonon Component of Dislocation Drag
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