Atomistic Simulation of Interstitial Dislocation Loop Evolution under Applied Stresses in BCC Iron

doi:10.1002/pssa.201700494

Title: Atomistic Simulation of Interstitial Dislocation Loop Evolution under Applied Stresses in BCC Iron

Authors:

Long, Xue Hao ^[1]; Wang, Dong ^[2]; Setyawan, Wahyu ^[3]; Liu, Peng ^[1]; Gao, Ning ^[2]; Kurtz, Richard J. ^[3]; Wang, Zhi Guang ^[2]; Wang, Xue Lin ^[1]

School of Physics, State Key Laboratory of Crystal Materials, Shandong University, Shandong Jinan 250100 P.R. China
Institute of Modern Physics, Chinese Academy of Sciences, LanZhou 73000 P.R. China
Pacific Northwest National Laboratory, P. O. Box 999 Richland WA 99352 USA

Publication Date:: 2017-11-07

Sponsoring Org.:: USDOE Office of Science (SC), Fusion Energy Sciences (FES) (SC-24)

OSTI Identifier:: 1408055

Grant/Contract Number:: AC05-76RL01830

Resource Type:: Publisher's Accepted Manuscript

Journal Name:: Physica Status Solidi. A, Applications and Materials Science

Additional Journal Information:: Journal Name: Physica Status Solidi. A, Applications and Materials Science Journal Volume: 215 Journal Issue: 1; Journal ID: ISSN 1862-6300

Publisher:: Wiley Blackwell (John Wiley & Sons)

Country of Publication:: Germany

Language:: English

Citation Formats


                    Long, Xue Hao, Wang, Dong, Setyawan, Wahyu, Liu, Peng, Gao, Ning, Kurtz, Richard J., Wang, Zhi Guang, and Wang, Xue Lin. Atomistic Simulation of Interstitial Dislocation Loop Evolution under Applied Stresses in BCC Iron.  Germany: N. p., 2017. 
        Web.  doi:10.1002/pssa.201700494.

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                    Long, Xue Hao, Wang, Dong, Setyawan, Wahyu, Liu, Peng, Gao, Ning, Kurtz, Richard J., Wang, Zhi Guang, & Wang, Xue Lin. Atomistic Simulation of Interstitial Dislocation Loop Evolution under Applied Stresses in BCC Iron.  Germany.  doi:10.1002/pssa.201700494.

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                    Long, Xue Hao, Wang, Dong, Setyawan, Wahyu, Liu, Peng, Gao, Ning, Kurtz, Richard J., Wang, Zhi Guang, and Wang, Xue Lin. Tue .  
        "Atomistic Simulation of Interstitial Dislocation Loop Evolution under Applied Stresses in BCC Iron".  Germany.  doi:10.1002/pssa.201700494.

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@article{osti_1408055,

  title        = {Atomistic Simulation of Interstitial Dislocation Loop Evolution under Applied Stresses in BCC Iron},

  author       = {Long, Xue Hao and Wang, Dong and Setyawan, Wahyu and Liu, Peng and Gao, Ning and Kurtz, Richard J. and Wang, Zhi Guang and Wang, Xue Lin},

  abstractNote = {},

  doi          = {10.1002/pssa.201700494},

  journal      = {Physica Status Solidi. A, Applications and Materials Science},

  number       = 1,

  volume       = 215,

  place        = {Germany},

  year         = {2017},

  month        = {11}

}

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DOI: 10.1002/pssa.201700494

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Atomistic Simulation of Interstitial Dislocation Loop Evolution under Applied Stresses in BCC Iron

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Evolution of an interstitial 1/2⟨111⟩ dislocation loop under tensile, shear, and torsion stresses is studied with molecular statics method. Under a tensile stress, the dependence of ultimate tensile strength on size of loop is calculated. The formation of small shear loops around the initial prismatic loop is confirmed as an intermediate state to form the final dislocation network. Under a shear stress, the rotation of a loop is observed not only by a change of the habit plane but also through a transformation between a shear and a prismatic loop. Under torsion, a perfect BCC crystal may undergo a BCCmore »« less
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Full Text Available

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Title: Atomistic Simulation of Interstitial Dislocation Loop Evolution under Applied Stresses in BCC Iron

Citation Formats

Gradual softening of Al–Zn alloys during high-pressure torsion journal, October 2012

Development of an interatomic potential for phosphorus impurities in -iron journal, June 2004

Fatigue strength for small shallow defects/cracks in torsion journal, March 2011

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

Microstructural characterizations of 14Cr ODS ferritic steels subjected to hot torsion journal, April 2015

Simulation of the interaction between an edge dislocation and a 〈100〉 interstitial dislocation loop in α-iron journal, October 2008

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

Materials challenges in nuclear energy journal, February 2013

Microstructural evolution during gaseous hydrogen charging of Zircaloy-4 processed by high-pressure torsion: A comparative study journal, February 2012

Tension–torsion ratcheting tests on 9Cr steel at high temperature journal, April 2015

Phase transformations in the severely plastically deformed Zr–Nb alloys journal, August 2012

Torsion and bending periodic boundary conditions for modeling the intrinsic strength of nanowires journal, November 2008

Structural characterization of deformed crystals by analysis of common atomic neighborhood journal, September 2007

Phase transformation in superelastic NiTi polycrystalline micro-tubes under tension and torsion––from localization to homogeneous deformation journal, June 2002

Changes in the Burgers Vector of Perfect Dislocation Loops without Contact with the External Dislocations journal, March 2006

Transformation of shear loop into prismatic loops during bypass of an array of impenetrable particles by edge dislocations journal, November 2014

Characteristics of the allotropic phase transformation in titanium processed by high-pressure torsion using different rotation speeds journal, June 2016

Atomistic simulations of the mechanical properties of silicon carbide nanowires journal, June 2008

Evolution of nanoscale interstitial dislocation loops under coupling effect of stress and temperature journal, July 2017

New understanding of nano-scale interstitial dislocation loops in BCC iron journal, October 2017

Damage, crack growth and fracture characteristics of nuclear grade graphite using the Double Torsion technique journal, July 2011

Gradual softening of Al–Zn alloys during high-pressure torsion
journal, October 2012

Development of an interatomic potential for phosphorus impurities in -iron
journal, June 2004

Fatigue strength for small shallow defects/cracks in torsion
journal, March 2011

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

Microstructural characterizations of 14Cr ODS ferritic steels subjected to hot torsion
journal, April 2015

Simulation of the interaction between an edge dislocation and a 〈100〉 interstitial dislocation loop in α-iron
journal, October 2008

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

Materials challenges in nuclear energy
journal, February 2013

Microstructural evolution during gaseous hydrogen charging of Zircaloy-4 processed by high-pressure torsion: A comparative study
journal, February 2012

Tension–torsion ratcheting tests on 9Cr steel at high temperature
journal, April 2015

Phase transformations in the severely plastically deformed Zr–Nb alloys
journal, August 2012

Torsion and bending periodic boundary conditions for modeling the intrinsic strength of nanowires
journal, November 2008

Structural characterization of deformed crystals by analysis of common atomic neighborhood
journal, September 2007

Phase transformation in superelastic NiTi polycrystalline micro-tubes under tension and torsion––from localization to homogeneous deformation
journal, June 2002

Changes in the Burgers Vector of Perfect Dislocation Loops without Contact with the External Dislocations
journal, March 2006

Transformation of shear loop into prismatic loops during bypass of an array of impenetrable particles by edge dislocations
journal, November 2014

Characteristics of the allotropic phase transformation in titanium processed by high-pressure torsion using different rotation speeds
journal, June 2016

Atomistic simulations of the mechanical properties of silicon carbide nanowires
journal, June 2008

Evolution of nanoscale interstitial dislocation loops under coupling effect of stress and temperature
journal, July 2017

New understanding of nano-scale interstitial dislocation loops in BCC iron
journal, October 2017

Damage, crack growth and fracture characteristics of nuclear grade graphite using the Double Torsion technique
journal, July 2011