Molecular dynamics simulation of crack tip processes in alpha‐iron and copper

1983 ◽  
Vol 54 (9) ◽  
pp. 4864-4878 ◽  
Author(s):  
Benito deCelis ◽  
Ali S. Argon ◽  
Sidney Yip
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Crack Tip ◽  
Dynamics Simulation ◽  
Alpha Iron

Molecular dynamics simulation of crack-tip processes in copper

1995 ◽  
Vol 11 (1) ◽  
pp. 76-82 ◽  
Author(s):  
Zhang Yongwei ◽  
Wang Tzuchiang ◽  
Tang Qiheng
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Crack Tip ◽  
Dynamics Simulation

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

Crystals ◽  
2021 ◽  
Vol 11 (3) ◽  
pp. 317
Author(s):  
Mohammad Bany Salman ◽  
Mehmet Emin Kilic ◽  
Mosab Jaser Banisalman
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Dislocation Loop ◽  
Dynamics Simulation ◽  
Peak Time ◽  
Dislocation Loops ◽  
Alpha Iron ◽  
Static Strain ◽  
Hydrostatic Strain ◽  
Threshold Displacement

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.

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