Formation of Interstitial Dislocation Loops by Irradiation in Alpha-Iron under Strain: A Molecular Dynamics Study

Bany Salman, Mohammad; Emin Kilic, Mehmet; Jaser Banisalman, Mosab

doi:10.3390/cryst11030317

Open AccessArticle

Formation of Interstitial Dislocation Loops by Irradiation in Alpha-Iron under Strain: A Molecular Dynamics Study

by

Mohammad Bany Salman

^1,†,

Mehmet Emin Kilic

² and

Mosab Jaser Banisalman

^3,*,†

¹

Department of Civil Engineering, Incheon National University (INU), Incheon 22012, Korea

²

Department of Materials Science and Engineering, Yonsei University, Seoul 03722, Korea

³

Department of Nuclear Engineering, Seoul National University (SNU), Seoul 08826, Korea

^*

Author to whom correspondence should be addressed.

^†

Both authors contributed equally to this work.

Crystals 2021, 11(3), 317; https://doi.org/10.3390/cryst11030317

Submission received: 23 January 2021 / Revised: 14 March 2021 / Accepted: 17 March 2021 / Published: 23 March 2021

(This article belongs to the Special Issue Strain Reversal in Metals and Alloys: Origins and Consequences)

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Abstract

The present work reports the formation of an interstitial dislocation loop with a lower primary knock-on atom (PKA) energy in alpha-iron under strain conditions by the use of molecular dynamics simulation. The study was conducted using a PKA energy of 1~10 keV and hydro-static strain from −1.4 to 1.6%. The application of 1.6% hydrostatic strain results in the formation of ½<111> dislocation loop with a low PKA of 3 keV. This result was associated with a threshold displacement energy decrement when moving from compression to tension strain, which resulted in more Frenkel pairs initiated at peak time. Furthermore, many of the initiated defects were energetically favorable by 2 eV in the form of the interstitial dislocation loop rather than a mono defect.

Keywords: interstitial dislocation loop; threshold displacement energy; primary radiation damage defects; strain effects; alpha iron; molecular dynamics; collision cascade

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MDPI and ACS Style

Bany Salman, M.; Emin Kilic, M.; Jaser Banisalman, M. Formation of Interstitial Dislocation Loops by Irradiation in Alpha-Iron under Strain: A Molecular Dynamics Study. Crystals 2021, 11, 317. https://doi.org/10.3390/cryst11030317

AMA Style

Bany Salman M, Emin Kilic M, Jaser Banisalman M. Formation of Interstitial Dislocation Loops by Irradiation in Alpha-Iron under Strain: A Molecular Dynamics Study. Crystals. 2021; 11(3):317. https://doi.org/10.3390/cryst11030317

Chicago/Turabian Style

Bany Salman, Mohammad, Mehmet Emin Kilic, and Mosab Jaser Banisalman. 2021. "Formation of Interstitial Dislocation Loops by Irradiation in Alpha-Iron under Strain: A Molecular Dynamics Study" Crystals 11, no. 3: 317. https://doi.org/10.3390/cryst11030317

APA Style

Bany Salman, M., Emin Kilic, M., & Jaser Banisalman, M. (2021). Formation of Interstitial Dislocation Loops by Irradiation in Alpha-Iron under Strain: A Molecular Dynamics Study. Crystals, 11(3), 317. https://doi.org/10.3390/cryst11030317

Note that from the first issue of 2016, this journal uses article numbers instead of page numbers. See further details here.

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Formation of Interstitial Dislocation Loops by Irradiation in Alpha-Iron under Strain: A Molecular Dynamics Study

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