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

MB Salman and ME Kilic and MJ Banisalman, CRYSTALS, 11, 317 (2021).

DOI: 10.3390/cryst11030317

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 similar to 10 keV and hydro-static strain from -1.4 to 1.6%. The application of 1.6% hydrostatic strain results in the formation of 1/2 <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.

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